A0A077Z6H4_TRITR Loading...

C2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6H4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low34.8Very low233 Ų233143.6 Ų143.6100%1.14883%0.832SS**  0119.60-75.3177.8-173.200107T3M1-T3 PolarHBondContact O-N 3.34Å
2I32.8Very low34.6Very low166 Ų166141.1 Ų141.185%0.85182%0.824SS**  trans-83.7107.9-179.2-61.2169.6000106.3
3T36.1Very low34.5Very low131 Ų131138.2 Ų138.280%0.80483%0.826SS**  trans-105.8100.6173.2-47.10000107.9M1 A5M1-T3 PolarHBondContact O-N 3.34Å; T3-A5 PolarHBondContact O-N 3.09Å
4T36Very low35Very low124 Ų124133.9 Ų133.976%0.76180%0.801SS**PPolyproline II helixtrans-68.1116.4169.522.80000109.2
5A34.3Very low35.6Very low99 Ų99134.3 Ų134.382%0.81880%0.798SS**PPolyproline II helixtrans-73.7126.1171.900000109.9T3T3-A5 PolarHBondContact O-N 3.09Å
6L35.3Very low36.6Very low166 Ų166130.6 Ų130.687%0.86978%0.776SS**PPolyproline II helixtrans-65.9143.6171.2-80154.6000110.1
7P33Very low37.8Very low104 Ų104127 Ų12768%0.67575%0.752SS**PPolyproline II helixtrans-68.7155176.229.4-32.2000111Q9P7-Q9 PolarHBondContact O-N 2.88Å
8P36.7Very low38.6Very low126 Ų126125.9 Ų125.982%0.81875%0.749SS**PPolyproline II helixtrans-63.1133-177.925.6-31.5000110.6T10P8-T10 PolarHBondContact O-N 3.35Å
9Q32.4Very low39.5Very low190 Ų190121.1 Ų121.189%0.88872%0.721SS**PPolyproline II helixtrans-65.1131.1175.9-65.7-175.32500109.7P7P7-Q9 PolarHBondContact O-N 2.88Å
10T30.3Very low40Very low131 Ų131117.4 Ų117.480%0.80471%0.705SS**PPolyproline II helixtrans-64.7131.5171.9-2.70000108.6P8P8-T10 PolarHBondContact O-N 3.35Å
11P32.7Very low40.1Very low110 Ų110116.9 Ų116.971%0.71470%0.699SS**PPolyproline II helixtrans-62.6148.1173.526-31.1000109.5
12P32.3Very low40Very low113 Ų113111.6 Ų111.673%0.73467%0.671SS**PPolyproline II helixtrans-58.7149.8-179.124.7-32.8000110.8V14P12-V14 WeakPolarHBondContact O-CG2 3.28Å; P12-V14 PolarHBondContact O-N 3.42Å
13A33.7Very low40.1Very low104 Ų104108.9 Ų108.986%0.8667%0.667SS**  trans-57.9108.6176.300000109.7
14V41.3Very low39.8Very low78 Ų78106.3 Ų106.347%0.47366%0.659SS.*  trans-85.2115.1-179.1-176.80000108.6P12 V16 V173P12-V14 WeakPolarHBondContact O-CG2 3.28Å; P12-V14 PolarHBondContact O-N 3.42Å; V14-V16 PolarHBondContact O-N 3.31Å; V14-V173 HydrophobicContact CG1-CB 3.66Å; V14-V173 HydrophobicContact CG1-CG2 3.49Å; V14-V173 VanDerWaalsContact CG1-CG2 3.49Å
15N44.4Very low39.7Very low140 Ų140106.1 Ų106.175%0.74966%0.659SS**  trans-69.8115.1169.6-80.5-21.8000108.8
16V51.5Low39.6Very low74 Ų74107.9 Ų107.945%0.44866%0.66SS.*EExtended strand (participates in β ladder)trans-77.2120171.2-178.30000107.8V14 M123V14-V16 PolarHBondContact O-N 3.31Å; V16-M123 HydrophobicContact CG1-CE 4.41Å; V16-M123 HydrophobicContact CG2-CE 4.24Å
17L57.7Low39.6Very low70 Ų70107.9 Ų107.937%0.36666%0.661SS.*EExtended strand (participates in β ladder)trans-89123177.6-71.8167.8000109.6E172 V173 F174L17-E172 VanDerWaalsContact CD1-OE2 3.28Å; L17-E172 WeakPolarHBondContact CD1-OE2 3.14Å; L17-V173 PolarHBondContact N-O 3.5Å; L17-F174 HydrophobicContact CB-CD1 4.19Å; L17-F174 HydrophobicContact CB-CE1 4.35Å; L17-F174 HydrophobicContact CD1-CE1 3.95Å
18P51.3Low39.7Very low107 Ų107106.2 Ų106.270%0.69566%0.663SS**PPolyproline II helixtrans-67.9146.7173.128.3-32.4000110.3
19C55.1Low39.8Very low34 Ų34110.2 Ų110.223%0.2367%0.667CS.*PPolyproline II helixtrans-67.1145174.4-74.90000110.8H155 Y156 C157 S175C19-H155 HydrophobicContact CB-CB 4.43Å; C19-Y156 CarbonylContact C-O 3.56Å; C19-Y156 WeakPolarHBondContact CA-O 3.38Å; C19-Y156 WeakPolarHBondContact CB-O 3.33Å; C19-Y156 VanDerWaalsContact SG-C 3.6Å; C19-C157 WeakPolarHBondContact CA-SG 3.42Å; C19-C157 HydrophobicContact CB-CB 4.43Å; C19-C157 WeakPolarHBondContact CB-SG 3.4Å; C19-C157 PolarHBondContact N-SG 3.32Å; C19-C157 WeakPolarHBondContact SG-CB 3.31Å; C19-C157 PolarHBondContact SG-N 3.4Å; C19-C157 VanDerWaalsContact SG-N 3.44Å; C19-C157 CovalentContact SG-SG 2.08Å; C19-C157 PolarHBondContact SG-SG 3.44Å; C19-S175 PolarHBondContact SG-O 3.3Å; C19-S175 VanDerWaalsContact SG-O 3.37Å
20A50Low39.7Very low47 Ų47108.2 Ų108.239%0.38866%0.663SS.*EExtended strand (participates in β ladder)trans-93.8141.2-179.800000111Y156A20-Y156 PolarHBondContact N-O 2.93Å; A20-Y156 PolarHBondContact O-N 3.18Å
21D41.6Very low40.1Very low108 Ų108108.8 Ų108.858%0.57867%0.666SS**EExtended strand (participates in β ladder)trans-84132.1170.7-73-21.1000110.7S23 H155D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 2.92Å; D21-H155 IonicContact OD1-CD2 3.02Å; D21-H155 PolarHBondContact OD1-CD2 2.87Å; D21-H155 IonicContact OD1-CE1 3.38Å; D21-H155 IonicContact OD1-CG 2.84Å; D21-H155 IonicContact OD1-NE2 2.95Å; D21-H155 PolarHBondContact OD1-NE2 2.53Å
22E40.7Very low40.1Very low122 Ų122111 Ų11157%0.5767%0.672SS**  trans-76.683.2173.2-161.2172.2154.900110.7H154 Y156E22-H154 PolarHBondContact N-O 3.2Å; E22-Y156 HydrophobicContact CB-CE1 4.34Å
23S36.1Very low40.4Very low109 Ų109110.8 Ų110.876%0.76267%0.673SS**PPolyproline II helixtrans-85.7116.8153.945.20000107.8D21D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 2.92Å
24A30.4Very low40.7Very low77 Ų77112.4 Ų112.464%0.63667%0.668SS**PPolyproline II helixtrans-53.4140.2-174.200000112.2V26A24-V26 PolarHBondContact O-N 2.96Å
25P32.1Very low40.6Very low119 Ų119116 Ų11677%0.77368%0.684SS**PPolyproline II helixtrans-73.5116.416729.6-27.1000108D27P25-D27 PolarHBondContact O-N 2.62Å
26V34.2Very low40.2Very low136 Ų136112.6 Ų112.682%0.82468%0.682SS**  trans-70.5108.9166.9176.10000107.4A24 G28A24-V26 PolarHBondContact O-N 2.96Å; V26-G28 PolarHBondContact O-N 2.59Å
27D34.9Very low39.5Very low166 Ų166117.4 Ų117.489%0.88871%0.705SS**  trans-62112.5161.3-80.5-42.6000108.5P25P25-D27 PolarHBondContact O-N 2.62Å
28G35.1Very low38.4Very low70 Ų70117.1 Ų117.172%0.72272%0.719SS**  trans-142.6102.8-178.700000111.3V26V26-G28 PolarHBondContact O-N 2.59Å
29K37.4Very low37.7Very low209 Ų209122.2 Ų122.291%0.90973%0.731SS**  trans-48.9148.8173.4-91.6169168.5171.80114
30D31.6Very low36.7Very low149 Ų149128.4 Ų128.480%0.79776%0.761SS**  trans-42.5136.8162.1-54.4-62.9000113.4
31T38.4Very low36.1Very low142 Ų142131 Ų13187%0.87177%0.774SS**  177.9143.1116.731.40000112.6
32N31.7Very low35.7Very low156 Ų156131.5 Ų131.583%0.83478%0.781SS**  trans-30.1159176.7-76.2-23.7000121.4
33S39.3Very low35.4Very low109 Ų109132.6 Ų132.676%0.76279%0.79SS**  trans107.7114.3136.362.20000119.3
34D39.5Very low35.4Very low139 Ų139136.3 Ų136.374%0.74379%0.793SS**  trans69.7122.1136.4-76.3-11000123.3
35D40.3Very low35.7Very low153 Ų153136.3 Ų136.382%0.81879%0.793SS**  trans78.3124.6132-64.8-21.2000121.3
36G36.1Very low36.1Very low69 Ų69139.3 Ų139.371%0.71179%0.793SS**  trans134.686.3135.300000116.7
37N37.2Very low36.2Very low174 Ų174138.8 Ų138.893%0.9379%0.786SS**  trans36.2129.4138.6-80.51.4000121.1
38G34.5Very low36.5Very low64 Ų64139.7 Ų139.766%0.6678%0.782SS**  137104.2113.200000118.6
39F35.6Very low36.6Very low215 Ų215140.4 Ų140.494%0.94378%0.781SS**  trans88.3135.2139.2-86.5-95.1000122.4
40L33.9Very low36.6Very low163 Ų163139.2 Ų139.285%0.85378%0.781SS**  trans-88.6172.1-164.3-82.9163.2000114.5
41P37.9Very low37Very low102 Ų102135.9 Ų135.966%0.66278%0.782SS**  trans-105.7-167.9-166.640.8-32000114.5
42T32.1Very low36.8Very low119 Ų119135.5 Ų135.573%0.7378%0.78SS**  trans97128.3167.465.50000117.2
43L34.6Very low37.3Very low145 Ų145133.5 Ų133.576%0.75978%0.778SS**  -176.8128.1118-100.7133000112.7
44F36.5Very low37.3Very low187 Ų187138 Ų13882%0.8278%0.784SS**  trans39154.1132.7-68.1-106.2000120.9
45A37.1Very low37.5Very low77 Ų77137.5 Ų137.564%0.63679%0.791SS**  cis171.4172.1-11.700000106.7
46K39.5Very low37.3Very low181 Ų181135.5 Ų135.579%0.78779%0.789SS**  trans92.9109.5147-74.7-174.9168.8178.90121.8
47D37.5Very low37.4Very low125 Ų125137 Ų13767%0.66879%0.787SS**  106.2135.4103.2-78-14.7000122.6
48K40.1Very low37.3Very low186 Ų186137.1 Ų137.181%0.80978%0.782SS**  trans85.7114.1147.9-79.1171176179.80118.9
49A38Very low37.4Very low85 Ų85139.3 Ų139.370%0.70279%0.788SS**  75.5143.168.100000111.7
50M37.8Very low37.6Very low183 Ų183134.3 Ų134.390%0.90178%0.78SS**  cis-168.4157.56-151.5177.7-72.300105.9
51G38.8Very low38.2Very low80 Ų80132.3 Ų132.383%0.82578%0.776SS**  trans175.9101.6166.700000114.4
52T35.8Very low38.9Very low133 Ų133132 Ų13282%0.81678%0.775SS**  trans-103.2153.9179.741.50000112
53S42.5Very low39.1Very low114 Ų114138.6 Ų138.680%0.79779%0.786SS**  trans175.4106.9146.8-74.90000109.4
54K39.1Very low39.2Very low205 Ų205136.5 Ų136.589%0.89178%0.784SS**  70.9114.691.7-78.7-170.4178.4-178.30116.5
55S43Very low39.4Very low127 Ų127135.9 Ų135.989%0.88878%0.783SS**  175.3140112.362.60000113.1
56S35.7Very low39.6Very low111 Ų111137.2 Ų137.278%0.77679%0.785SS**  trans-104.6167.1-175.648.20000113.4
57C38.7Very low39.4Very low100 Ų100135.4 Ų135.468%0.67678%0.784SS**  trans166.1116.7138.5-87.20000108.4
58E35.3Very low39.5Very low177 Ų177135.2 Ų135.283%0.82779%0.793SS**  68.1139.288.5-74.1173.8134.300113.3
59S36Very low39.3Very low111 Ų111137.7 Ų137.778%0.77680%0.797SS**  cis-177.5155.20.346.10000108.3
60S39.8Very low39.8Very low110 Ų110139 Ų13977%0.76980%0.798SS**  trans-61.5-161.3174.8-43.70000114.2
61P46.4Very low39.6Very low120 Ų120138.8 Ų138.878%0.77980%0.797SS**  cis-151.9-133.514.934.4-2.5000115.8
62P52.5Low39.5Very low97 Ų97139.8 Ų139.863%0.6379%0.791SS**  -133.7171.7-110.242.9-23.3000116.1
63W37.2Very low39.4Very low257 Ų257138.3 Ų138.397%0.97379%0.786SS**  trans-157.4161.3157.3-77.299.4000114
64S36Very low39Very low101 Ų101139.8 Ų139.871%0.70679%0.785SS**  trans-126.3159.1-14443.20000117
65Q41Very low38.6Very low174 Ų174137.6 Ų137.681%0.81378%0.778SS**  trans-12.2170.9157.6-92.4-165.34.100122.9
66P41.5Very low38Very low105 Ų105137.7 Ų137.768%0.68277%0.773SS**  cis-157.1173.649.241-16.6000122.5
67D35.9Very low37.8Very low143 Ų143137.7 Ų137.777%0.76577%0.773SS**  trans50146.1145.3-64.4-26.5000123.1
68S39.1Very low37.5Very low121 Ų121141.3 Ų141.385%0.84679%0.785SS**  cis-170.6166.531.739.70000113.3
69R35Very low37.4Very low238 Ų238138 Ų13890%0.89878%0.78SS**  trans-84.8-166.9-174.7-86.1-174.9-166.1-175.34.6115.6
70P49.2Very low37.2Very low111 Ų111144.9 Ų144.972%0.72179%0.789SS**  cis-140.9-178.6-38.834.6-13.9000116.6
71M34.5Very low37Very low179 Ų179147 Ų14788%0.88279%0.79SS**  117.7135.2129.6-139.4-179.8-174.400122.6
72S35.1Very low36.6Very low101 Ų101145.9 Ų145.971%0.70678%0.778SS**  trans91.5111.2151.780.30000119
73S34.2Very low36Very low102 Ų102146.2 Ų146.271%0.71378%0.78SS**  78.1134.579.8860000112.5
74L33.9Very low36.2Very low145 Ų145140.1 Ų140.176%0.75977%0.766SS**  cis-165.8147.49.9-99.1150.9000109
75Q31Very low36.6Very low160 Ų160137.9 Ų137.975%0.74875%0.754SS**  57.5104.7128.8-148.8164.25.400120.5
76T31Very low36.5Very low129 Ų129135 Ų13579%0.79174%0.74SS**  85.5117.885.1-49.90000115.4
77S30.9Very low36.6Very low111 Ų111134 Ų13478%0.77673%0.726SS**  -173.9111.7121.572.80000110.7
78L31.3Very low36.6Very low175 Ų175130.4 Ų130.492%0.91672%0.716SS**  trans-140.1151.8162.9-92.1171.2000110.5
79C34Very low36.6Very low109 Ų109131.6 Ų131.674%0.73671%0.709SS**  trans-78.3161.2-156.542.10000116.1
80W31Very low36.7Very low254 Ų254128.9 Ų128.996%0.96270%0.699SS**  trans-65.6119.8-170.6-56.883.1000116.2
81I36.3Very low36.2Very low155 Ų155132.5 Ų132.580%0.79570%0.698SS**  trans-147.7127.4146.1-58.6-176000105.2P83I81-P83 WeakPolarHBondContact O-CD 3.24Å
82D37.9Very low36.1Very low97 Ų97127.9 Ų127.952%0.51968%0.683SS.*  trans-67.2109.4-172.7-171.6-4.5000111.9L84 A85D82-L84 PolarHBondContact O-N 2.91Å; D82-L84 VanDerWaalsContact OD1-CB 3.31Å; D82-L84 WeakPolarHBondContact OD1-CB 3.46Å; D82-L84 PolarHBondContact OD1-N 3.36Å; D82-A85 PolarHBondContact O-N 3.45Å
83P40.3Very low36.1Very low104 Ų104126.1 Ų126.168%0.67567%0.668SS**Hα-helixtrans-68.2-11.3179.1-15.632.1000113.1I81 E87I81-P83 WeakPolarHBondContact O-CD 3.24Å; P83-E87 PolarHBondContact O-N 3.39Å
84L41.2Very low36.4Very low128 Ų128125.7 Ų125.767%0.6766%0.655SS**Hα-helixtrans-82.6-21.1177.1-67163.9000112.7D82 A88D82-L84 PolarHBondContact O-N 2.91Å; D82-L84 VanDerWaalsContact OD1-CB 3.31Å; D82-L84 WeakPolarHBondContact OD1-CB 3.46Å; D82-L84 PolarHBondContact OD1-N 3.36Å; L84-A88 VanDerWaalsContact O-CB 3.31Å; L84-A88 WeakPolarHBondContact O-CB 3.15Å; L84-A88 PolarHBondContact O-N 3.43Å; L84-A88 VanDerWaalsContact O-N 3.08Å
85A43.9Very low36.7Very low55 Ų55123.4 Ų123.446%0.45564%0.64SS.*Hα-helixtrans-74.2-39.5174.800000112D82 A88 E89D82-A85 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 3.2Å; A85-E89 PolarHBondContact O-N 3.12Å
86E39.9Very low37.2Very low114 Ų114118.7 Ų118.753%0.53362%0.616SS.*Hα-helixtrans-70.3-33.1173.3-89.1-162.1174.100112.7A88 E89 R90E86-A88 VanDerWaalsContact C-N 3.33Å; E86-E89 PolarHBondContact O-N 3.2Å; E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 WeakPolarHBondContact O-CG 3.23Å; E86-R90 PolarHBondContact O-N 3.12Å; E86-R90 IonicContact OE2-NH1 3.99Å; E86-R90 PolarHBondContact OE2-NH1 3.16Å; E86-R90 IonicContact OE2-NH2 3.91Å
87E42.7Very low37.6Very low83 Ų83116.9 Ų116.939%0.38860%0.601SS.*Hα-helixtrans-71.2-30.6175.2-164.973-168.900111.6P83 R91P83-E87 PolarHBondContact O-N 3.39Å; E87-R91 PolarHBondContact O-N 3.09Å; E87-R91 IonicContact OE1-NH2 3.99Å
88A35.9Very low38.3Very low67 Ų67112.7 Ų112.755%0.55457%0.57SS**Hα-helixtrans-73.3-32.4172.700000112.7L84 A85 E86 S92L84-A88 VanDerWaalsContact O-CB 3.31Å; L84-A88 WeakPolarHBondContact O-CB 3.15Å; L84-A88 PolarHBondContact O-N 3.43Å; L84-A88 VanDerWaalsContact O-N 3.08Å; A85-A88 PolarHBondContact O-N 3.2Å; E86-A88 VanDerWaalsContact C-N 3.33Å; A88-S92 PolarHBondContact O-N 2.88Å
89E38.6Very low38.8Very low147 Ų147109 Ų10969%0.68756%0.558SS**Hα-helixtrans-77.9-30.7171-91-178.2159.100113.3A85 E86 R91 S92A85-E89 PolarHBondContact O-N 3.12Å; E86-E89 PolarHBondContact O-N 3.2Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.29Å; E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.21Å; E89-S92 PolarHBondContact O-OG 2.93Å
90R37.9Very low39.2Very low181 Ų181107.2 Ų107.268%0.68354%0.536SS*.Hα-helixtrans-71.6-21.4171.1-80.6-173.3179.1106.66.8113.6E86 S92E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 WeakPolarHBondContact O-CG 3.23Å; E86-R90 PolarHBondContact O-N 3.12Å; E86-R90 IonicContact OE2-NH1 3.99Å; E86-R90 PolarHBondContact OE2-NH1 3.16Å; E86-R90 IonicContact OE2-NH2 3.91Å; R90-S92 VanDerWaalsContact C-N 3.32Å
91R39.8Very low39.9Very low186 Ų186102.6 Ų102.670%0.70252%0.523SS*.THydrogen-bonded Turntrans-91.314166.5-72.1-168.3178.3105.67.2113.1E87 E89 V93E87-R91 PolarHBondContact O-N 3.09Å; E87-R91 IonicContact OE1-NH2 3.99Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.29Å; R91-V93 PolarHBondContact O-N 3.16Å
92S32.3Very low40.6Very low83 Ų83102 Ų10258%0.5852%0.521SS*.  trans-58.5108.9171.658.60000109.2A88 E89 R90 Q94A88-S92 PolarHBondContact O-N 2.88Å; E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.21Å; E89-S92 PolarHBondContact O-OG 2.93Å; R90-S92 VanDerWaalsContact C-N 3.32Å; S92-Q94 PolarHBondContact O-N 3.44Å
93V33.2Very low41.4Very low63 Ų63105.6 Ų105.638%0.38254%0.535SS..  trans-20.5114.3169.1-1760000110.9R91 H95 T225R91-V93 PolarHBondContact O-N 3.16Å; V93-H95 PolarHBondContact O-N 2.79Å; V93-T225 HydrophobicContact CG1-CG2 4.43Å; V93-T225 WeakPolarHBondContact CG1-OG1 3.14Å
94Q40.9Very low42.9Very low94 Ų94104.6 Ų104.644%0.43952%0.518SS..EExtended strand (participates in β ladder)trans-61.594.1171.4-70.8-171.77.500107.9S92 Y96 F224S92-Q94 PolarHBondContact O-N 3.44Å; Q94-Y96 PolarHBondContact O-N 2.86Å; Q94-Y96 VanDerWaalsContact O-N 3.14Å; Q94-F224 HydrophobicContact CB-CD1 4.16Å
95H40.1Very low44.8Very low96 Ų96100 Ų10044%0.44450%0.495SS..EExtended strand (participates in β ladder)trans-72.9102177.4-160.867.8000106.9V93 D97 Q227V93-H95 PolarHBondContact O-N 2.79Å; H95-D97 IonicContact CD2-OD1 3.76Å; H95-D97 PolarHBondContact CD2-OD1 2.81Å; H95-D97 IonicContact CD2-OD2 3.43Å; H95-D97 PolarHBondContact CD2-OD2 2.81Å; H95-D97 IonicContact NE2-OD1 3.99Å; H95-D97 PolarHBondContact NE2-OD1 2.78Å; H95-D97 VanDerWaalsContact NE2-OD1 3.11Å; H95-D97 IonicContact NE2-OD2 2.99Å; H95-D97 PolarHBondContact O-N 2.87Å; H95-Q227 PolarHBondContact CE1-NE2 3.42Å; H95-Q227 VanDerWaalsContact CE1-NE2 3.34Å
96Y42.9Very low47Very low61 Ų6199.5 Ų99.524%0.23948%0.481CS..EExtended strand (participates in β ladder)trans-8789.4176.8-167.9-105.5000108.7Q94 L98 K215 T225 M226Q94-Y96 PolarHBondContact O-N 2.86Å; Q94-Y96 VanDerWaalsContact O-N 3.14Å; Y96-L98 HydrophobicContact CD1-CD1 4.17Å; Y96-L98 HydrophobicContact CD1-CD2 4.35Å; Y96-L98 HydrophobicContact CD1-CG 3.78Å; Y96-L98 HydrophobicContact CE1-CD1 3.85Å; Y96-L98 HydrophobicContact CE1-CD2 3.53Å; Y96-L98 HydrophobicContact CE1-CG 3.45Å; Y96-L98 VanDerWaalsContact CE1-CG 3.45Å; Y96-L98 PolarHBondContact O-N 3.03Å; Y96-K215 PolarHBondContact OH-NZ 2.7Å; Y96-T225 PolarHBondContact N-O 3.04Å; Y96-M226 HydrophobicContact CD1-CE 3.23Å; Y96-M226 HydrophobicContact CD1-SD 4.46Å; Y96-M226 HydrophobicContact CE1-CE 3.71Å; Y96-M226 HydrophobicContact CG-CE 4.04Å
97D39.3Very low49.5Very low92 Ų9294.3 Ų94.349%0.49246%0.459SS..  trans-76.296.1170.8-82.1-30000109.7H95 C99H95-D97 IonicContact CD2-OD1 3.76Å; H95-D97 PolarHBondContact CD2-OD1 2.81Å; H95-D97 IonicContact CD2-OD2 3.43Å; H95-D97 PolarHBondContact CD2-OD2 2.81Å; H95-D97 IonicContact NE2-OD1 3.99Å; H95-D97 PolarHBondContact NE2-OD1 2.78Å; H95-D97 VanDerWaalsContact NE2-OD1 3.11Å; H95-D97 IonicContact NE2-OD2 2.99Å; H95-D97 PolarHBondContact O-N 2.87Å; D97-C99 PolarHBondContact O-N 3.29Å
98L45.1Very low52Low23 Ų2392.4 Ų92.412%0.1245%0.449CS..  trans-69.8124.3154.4-70.7162.8000106.6Y96 Y100Y96-L98 HydrophobicContact CD1-CD1 4.17Å; Y96-L98 HydrophobicContact CD1-CD2 4.35Å; Y96-L98 HydrophobicContact CD1-CG 3.78Å; Y96-L98 HydrophobicContact CE1-CD1 3.85Å; Y96-L98 HydrophobicContact CE1-CD2 3.53Å; Y96-L98 HydrophobicContact CE1-CG 3.45Å; Y96-L98 VanDerWaalsContact CE1-CG 3.45Å; Y96-L98 PolarHBondContact O-N 3.03Å; L98-Y100 HydrophobicContact CB-CD2 3.45Å; L98-Y100 VanDerWaalsContact CB-CD2 3.45Å; L98-Y100 HydrophobicContact CB-CE2 3.29Å; L98-Y100 HydrophobicContact CD1-CE2 3.7Å; L98-Y100 HydrophobicContact CG-CE2 4Å; L98-Y100 PolarHBondContact O-N 3Å
99C41Very low54.8Low98 Ų9889.2 Ų89.266%0.66242%0.423SS*.  trans-68.656.2178.6-68.20000112.8D97D97-C99 PolarHBondContact O-N 3.29Å
100Y42.3Very low57.5Low70 Ų7082.2 Ų82.228%0.27539%0.39SS..  trans-74.3141158.7-61.8-75.8000107.7L98 N102 V229L98-Y100 HydrophobicContact CB-CD2 3.45Å; L98-Y100 VanDerWaalsContact CB-CD2 3.45Å; L98-Y100 HydrophobicContact CB-CE2 3.29Å; L98-Y100 HydrophobicContact CD1-CE2 3.7Å; L98-Y100 HydrophobicContact CG-CE2 4Å; L98-Y100 PolarHBondContact O-N 3Å; Y100-N102 PolarHBondContact O-N 3.04Å; Y100-V229 HydrophobicContact CD1-CG1 3.77Å; Y100-V229 HydrophobicContact CD2-CB 4.17Å; Y100-V229 HydrophobicContact CD2-CG1 3.79Å; Y100-V229 HydrophobicContact CD2-CG2 3.28Å; Y100-V229 HydrophobicContact CE1-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CB 4.11Å; Y100-V229 HydrophobicContact CE2-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CG2 3.36Å; Y100-V229 HydrophobicContact CG-CG1 3.74Å; Y100-V229 HydrophobicContact CG-CG2 4.04Å
101K45.6Very low60.3Low157 Ų15773.6 Ų73.668%0.68336%0.358SS*.  trans-52.6133166.7-66.8-177.5177-1770107.3E103 R104K101-E103 PolarHBondContact O-N 3.05Å; K101-R104 PolarHBondContact O-N 2.65Å
102N52.4Low62.9Low142 Ų14265.1 Ų65.176%0.75933%0.327SS*.G310 helixtrans-46.5-25.1-180-84.1-8.6000113.6Y100 R104 T105Y100-N102 PolarHBondContact O-N 3.04Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 VanDerWaalsContact O-N 3.11Å; N102-T105 PolarHBondContact O-N 2.85Å; N102-T105 PolarHBondContact O-OG1 2.78Å
103E55.1Low65.8Low173 Ų17361.1 Ų61.181%0.80830%0.299SS*.G310 helixtrans-58.4-15.4174.7-62.1172.3177.700115K101K101-E103 PolarHBondContact O-N 3.05Å
104R70Confident68.7Low84 Ų8462 Ų6232%0.31730%0.295SS..G310 helixtrans-104.7-3-178.5-64.5-168.9179.4178.73.1114.9K101 N102 V229 D230 D235K101-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 VanDerWaalsContact O-N 3.11Å; R104-V229 HydrophobicContact CB-CG1 4.46Å; R104-D230 PolarHBondContact O-N 3Å; R104-D235 IonicContact CZ-OD2 3.07Å; R104-D235 VanDerWaalsContact NH2-CB 3.29Å; R104-D235 IonicContact NH2-OD2 2.73Å; R104-D235 PolarHBondContact NH2-OD2 3.16Å
105T82.7Confident71.2Confident32 Ų3258 Ų5820%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-81.4134.4-177.163.30000110.7N102 Q227 I228N102-T105 PolarHBondContact O-N 2.85Å; N102-T105 PolarHBondContact O-OG1 2.78Å; T105-Q227 HydrophobicContact CG2-CB 4Å; T105-Q227 HydrophobicContact CG2-CG 4.22Å; T105-I228 CarbonylContact C-O 3.57Å; T105-I228 WeakPolarHBondContact CA-O 3.48Å
106R89.7Confident73.8Confident44 Ų4454.6 Ų54.617%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-117.832.6-175.3-60-61.8-160120.85.7111.7V132 Q133 P134 N135 I204 I228 D230R106-V132 WeakPolarHBondContact O-CA 3Å; R106-Q133 HydrophobicContact CB-CB 4.37Å; R106-Q133 PolarHBondContact NH1-O 2.87Å; R106-Q133 PolarHBondContact O-N 2.89Å; R106-P134 PolarHBondContact NH1-O 2.95Å; R106-N135 PolarHBondContact NH1-OD1 2.75Å; R106-N135 PolarHBondContact NH2-OD1 2.69Å; R106-I204 HydrophobicContact CB-CG2 3.89Å; R106-I228 HydrophobicContact CB-CB 4.42Å; R106-I228 HydrophobicContact CB-CG2 4.1Å; R106-I228 PolarHBondContact N-O 2.61Å; R106-D230 HydrophobicContact CG-CB 3.91Å; R106-D230 IonicContact CZ-OD2 3.99Å; R106-D230 IonicContact NE-OD2 2.74Å; R106-D230 PolarHBondContact NE-OD2 3.29Å; R106-D230 IonicContact NH2-OD1 2.65Å; R106-D230 IonicContact NH2-OD2 3.53Å; R106-D230 PolarHBondContact NH2-OD2 3.17Å
107G92.6Very high76.1Confident5 Ų557.4 Ų57.45%0.05227%0.273CS..EExtended strand (participates in β ladder)trans102.4-165.7-170.600000112E130 N131 Q227 I228G107-E130 CarbonylContact C-O 3.49Å; G107-E130 VanDerWaalsContact CA-O 3.27Å; G107-E130 WeakPolarHBondContact CA-O 3.21Å; G107-N131 WeakPolarHBondContact CA-O 3.4Å; G107-N131 PolarHBondContact N-O 2.85Å; G107-Q227 PolarHBondContact O-OE1 2.88Å; G107-I228 WeakPolarHBondContact O-CB 3.47Å; G107-I228 PolarHBondContact O-N 3.12Å
108Q94.5Very high78.5Confident42 Ų4260 Ų6020%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-137.1152.7-178.43-179.244.500110.3A129 E130 T225 M226 Q227Q108-A129 CarbonylContact O-C 3.52Å; Q108-A129 WeakPolarHBondContact O-CA 3.43Å; Q108-A129 WeakPolarHBondContact O-CB 3.41Å; Q108-E130 PolarHBondContact N-O 2.85Å; Q108-E130 PolarHBondContact O-N 3.28Å; Q108-T225 HydrophobicContact CB-CG2 3.92Å; Q108-M226 CarbonylContact C-O 3.47Å; Q108-M226 VanDerWaalsContact CA-O 3.28Å; Q108-M226 WeakPolarHBondContact CA-O 3.48Å; Q108-M226 WeakPolarHBondContact CB-O 3.38Å; Q108-Q227 VanDerWaalsContact OE1-NE2 3.14Å
109I95.1Very high80.8Confident0 Ų065 Ų650%031%0.308CS..EExtended strand (participates in β ladder)trans-120.4138.2175.4-164.5174.8000109.1F111 L126 A129 V145 C190 V192 V207 T225 M226 I228I109-F111 HydrophobicContact CG2-CD1 4.24Å; I109-F111 HydrophobicContact CG2-CE1 4.32Å; I109-L126 HydrophobicContact CD1-CD1 3.61Å; I109-L126 HydrophobicContact CG1-CD1 3.83Å; I109-A129 HydrophobicContact CG1-CB 4.42Å; I109-V145 HydrophobicContact CD1-CG1 4.13Å; I109-V145 HydrophobicContact CD1-CG2 3.97Å; I109-C190 HydrophobicContact CD1-CB 4.05Å; I109-V192 HydrophobicContact CD1-CG2 4.32Å; I109-V207 HydrophobicContact CG2-CB 3.95Å; I109-V207 HydrophobicContact CG2-CG1 4.05Å; I109-V207 HydrophobicContact CG2-CG2 3.4Å; I109-V207 VanDerWaalsContact CG2-CG2 3.4Å; I109-T225 WeakPolarHBondContact O-CA 3.36Å; I109-M226 HydrophobicContact CG2-CB 4.41Å; I109-M226 PolarHBondContact N-O 3.49Å; I109-M226 PolarHBondContact O-N 3.3Å; I109-I228 HydrophobicContact CB-CD1 4.49Å; I109-I228 HydrophobicContact CB-CG1 4.23Å
110T96Very high83.3Confident0 Ų068.3 Ų68.30%031%0.306CS..EExtended strand (participates in β ladder)trans-115.1127.5175.7-52.70000109.3I127 R128 E223 F224 T225T110-I127 HydrophobicContact CG2-CB 4.45Å; T110-I127 HydrophobicContact CG2-CD1 4.18Å; T110-I127 WeakPolarHBondContact O-CB 3.15Å; T110-I127 PolarHBondContact O-N 3.06Å; T110-R128 PolarHBondContact N-O 3.06Å; T110-R128 PolarHBondContact O-N 3.27Å; T110-E223 HydrophobicContact CG2-CG 3.6Å; T110-F224 VanDerWaalsContact CA-O 3.3Å; T110-F224 WeakPolarHBondContact CA-O 3.39Å; T110-T225 WeakPolarHBondContact CG2-OG1 3Å; T110-T225 PolarHBondContact OG1-OG1 3.01Å
111F95.2Very high85.7Confident1 Ų166.3 Ų66.30%0.00430%0.3CS..EExtended strand (participates in β ladder)trans-145.2156.8174.761.1-89.6000110I109 L113 M124 H125 L188 V207 M209 F224 M226I109-F111 HydrophobicContact CG2-CD1 4.24Å; I109-F111 HydrophobicContact CG2-CE1 4.32Å; F111-L113 HydrophobicContact CD2-CD2 3.89Å; F111-L113 HydrophobicContact CD2-CG 4.03Å; F111-L113 HydrophobicContact CE2-CD1 4.08Å; F111-L113 HydrophobicContact CE2-CD2 4.03Å; F111-L113 HydrophobicContact CE2-CG 3.93Å; F111-M124 HydrophobicContact CB-CE 3.62Å; F111-M124 HydrophobicContact CB-CG 4.35Å; F111-M124 HydrophobicContact CD1-CE 4.23Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CD2-CG 4.34Å; F111-M124 HydrophobicContact CG-CE 3.77Å; F111-H125 CarbonylContact C-O 3.57Å; F111-H125 WeakPolarHBondContact CA-O 3.44Å; F111-H125 VanDerWaalsContact CB-O 3.28Å; F111-H125 WeakPolarHBondContact CB-O 3.17Å; F111-L188 HydrophobicContact CD2-CD2 4.21Å; F111-L188 HydrophobicContact CE2-CD2 3.76Å; F111-L188 HydrophobicContact CZ-CD2 4.27Å; F111-V207 HydrophobicContact CE1-CG1 4.24Å; F111-M209 HydrophobicContact CE2-SD 3.65Å; F111-M209 HydrophobicContact CZ-CB 4.2Å; F111-M209 HydrophobicContact CZ-SD 3.72Å; F111-F224 HydrophobicContact CD2-CD2 4.36Å; F111-F224 HydrophobicContact CE2-CB 4.21Å; F111-F224 AromaticContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CG 4.41Å; F111-F224 HydrophobicContact CZ-CB 4.17Å; F111-F224 PolarHBondContact N-O 2.84Å; F111-F224 PolarHBondContact O-N 3.03Å; F111-M226 HydrophobicContact CE1-CG 4.15Å; F111-M226 HydrophobicContact CE1-SD 3.74Å; F111-M226 HydrophobicContact CZ-CG 4.42Å; F111-M226 HydrophobicContact CZ-SD 3.58Å; F111-M226 VanDerWaalsContact CZ-SD 3.58Å
112S94.1Very high88Confident7 Ų758.9 Ų58.95%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-117.3150.3170.9650000112.4M124 H125 W221 T222S112-M124 CarbonylContact O-C 3.45Å; S112-M124 WeakPolarHBondContact O-CA 3.42Å; S112-H125 PolarHBondContact N-O 2.89Å; S112-H125 PolarHBondContact O-N 2.64Å; S112-H125 WeakPolarHBondContact OG-CB 3.48Å; S112-W221 WeakPolarHBondContact O-CZ3 3.29Å; S112-W221 VanDerWaalsContact OG-CE3 3.27Å; S112-T222 CarbonylContact C-O 3.56Å; S112-T222 WeakPolarHBondContact CA-O 3.37Å; S112-T222 WeakPolarHBondContact CB-O 3.09Å
113L94.7Very high90Very high0 Ų052.3 Ų52.30%023%0.232CC..EExtended strand (participates in β ladder)trans-119.4143.2179.6-57.5-179.8000110.8F111 M123 M124 L188 M209 L212 L218 W221 T222 F224F111-L113 HydrophobicContact CD2-CD2 3.89Å; F111-L113 HydrophobicContact CD2-CG 4.03Å; F111-L113 HydrophobicContact CE2-CD1 4.08Å; F111-L113 HydrophobicContact CE2-CD2 4.03Å; F111-L113 HydrophobicContact CE2-CG 3.93Å; L113-M123 WeakPolarHBondContact CA-O 3.49Å; L113-M124 HydrophobicContact CD2-CB 3.82Å; L113-M124 HydrophobicContact CD2-CG 3.91Å; L113-L188 HydrophobicContact CD1-CD2 4.24Å; L113-L188 HydrophobicContact CD2-CD2 3.62Å; L113-L188 HydrophobicContact CG-CD2 4.5Å; L113-M209 HydrophobicContact CD1-CE 4.06Å; L113-M209 HydrophobicContact CD1-SD 3.56Å; L113-M209 VanDerWaalsContact CD1-SD 3.56Å; L113-L212 HydrophobicContact CD1-CD2 3.91Å; L113-L218 HydrophobicContact CB-CD2 3.75Å; L113-W221 WeakPolarHBondContact O-CA 3.5Å; L113-T222 PolarHBondContact N-O 3Å; L113-T222 PolarHBondContact O-N 2.96Å; L113-F224 HydrophobicContact CB-CE2 4.02Å; L113-F224 HydrophobicContact CD1-CD2 4.35Å; L113-F224 HydrophobicContact CD1-CE2 3.94Å; L113-F224 HydrophobicContact CG-CD2 4.17Å; L113-F224 HydrophobicContact CG-CE2 3.9Å
114R93.5Very high92Very high80 Ų8044.1 Ų44.130%0.30219%0.194SC..EExtended strand (participates in β ladder)trans-145163.3162.469.6171.4177.7140.17.8109M123 W221R114-M123 HydrophobicContact CG-CB 3.62Å; R114-M123 HydrophobicContact CG-CG 4.09Å; R114-M123 PolarHBondContact N-O 3.06Å; R114-M123 WeakPolarHBondContact O-CB 3.4Å; R114-M123 PolarHBondContact O-N 2.81Å; R114-W221 HydrophobicContact CB-CD2 4.01Å; R114-W221 HydrophobicContact CB-CE3 3.98Å; R114-W221 HydrophobicContact CB-CG 4.38Å; R114-W221 HydrophobicContact CB-CZ3 4.44Å; R114-W221 HydrophobicContact CG-CD2 3.72Å; R114-W221 HydrophobicContact CG-CE3 3.74Å; R114-W221 HydrophobicContact CG-CG 4.42Å; R114-W221 HydrophobicContact CG-CH2 3.9Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; R114-W221 HydrophobicContact CG-CZ3 3.81Å; R114-W221 VanDerWaalsContact NE-CE2 3.26Å
115Y94.2Very high93.2Very high11 Ų1142.2 Ų42.24%0.04319%0.189CC..EExtended strand (participates in β ladder)trans-109.7128.7172.9-170.8-98.3000110.4Y117 R120 M121 L122 A178 P179 V180 L183 L218Y115-Y117 AromaticContact CD1-CD1 3.53Å; Y115-Y117 HydrophobicContact CD1-CD1 3.53Å; Y115-Y117 AromaticContact CD1-CD2 3.79Å; Y115-Y117 HydrophobicContact CD1-CD2 3.79Å; Y115-Y117 AromaticContact CD1-CE1 3.58Å; Y115-Y117 HydrophobicContact CD1-CE1 3.58Å; Y115-Y117 AromaticContact CD1-CE2 3.83Å; Y115-Y117 HydrophobicContact CD1-CE2 3.83Å; Y115-Y117 AromaticContact CD1-CG 3.64Å; Y115-Y117 HydrophobicContact CD1-CG 3.64Å; Y115-Y117 AromaticContact CD1-CZ 3.73Å; Y115-Y117 AromaticContact CE1-CD1 3.67Å; Y115-Y117 HydrophobicContact CE1-CD1 3.67Å; Y115-Y117 AromaticContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 HydrophobicContact CG-CE2 4.49Å; Y115-Y117 PolarHBondContact O-N 3.39Å; Y115-R120 VanDerWaalsContact OH-CA 3.24Å; Y115-R120 WeakPolarHBondContact OH-CA 3.45Å; Y115-M121 WeakPolarHBondContact CD2-O 3.38Å; Y115-L122 HydrophobicContact CD2-CB 4.46Å; Y115-A178 WeakPolarHBondContact CE2-O 3.24Å; Y115-A178 PolarHBondContact OH-O 2.74Å; Y115-A178 VanDerWaalsContact OH-O 3.13Å; Y115-P179 WeakPolarHBondContact OH-CA 3.25Å; Y115-V180 HydrophobicContact CD1-CB 4.32Å; Y115-V180 HydrophobicContact CD1-CG2 4.47Å; Y115-V180 HydrophobicContact CE1-CB 3.75Å; Y115-V180 HydrophobicContact CE1-CG2 4.38Å; Y115-V180 HydrophobicContact CE2-CB 4.23Å; Y115-V180 PolarHBondContact OH-N 2.73Å; Y115-L183 HydrophobicContact CD2-CD1 3.58Å; Y115-L183 HydrophobicContact CE2-CD1 3.83Å; Y115-L183 HydrophobicContact CG-CD1 4.48Å; Y115-L218 PolarHBondContact N-O 3.36Å
116D93.4Very high93.9Very high25 Ų2540.7 Ų40.713%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-88.1101.1171.6-166.7-42.8000109.4I118 H119 R120 M121 M123D116-I118 VanDerWaalsContact C-N 3.28Å; D116-I118 PolarHBondContact O-N 3.37Å; D116-I118 WeakPolarHBondContact OD1-CB 3.27Å; D116-I118 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD1-CD2 2.69Å; D116-H119 IonicContact OD1-CG 3.2Å; D116-H119 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD2-CD2 3.34Å; D116-H119 PolarHBondContact OD2-CD2 2.97Å; D116-R120 WeakPolarHBondContact O-CA 3.38Å; D116-R120 PolarHBondContact O-N 2.83Å; D116-M121 HydrophobicContact CB-CG 4.41Å; D116-M121 PolarHBondContact N-O 3.18Å; D116-M121 PolarHBondContact O-N 2.76Å; D116-M123 HydrophobicContact CB-CG 4.14Å
117Y90.8Very high94.3Very high120 Ų12039.7 Ų39.747%0.47118%0.177SC..THydrogen-bonded Turntrans-70.3-23.1-178.9-69.5-86.7000113.8Y115 V180 D217Y115-Y117 AromaticContact CD1-CD1 3.53Å; Y115-Y117 HydrophobicContact CD1-CD1 3.53Å; Y115-Y117 AromaticContact CD1-CD2 3.79Å; Y115-Y117 HydrophobicContact CD1-CD2 3.79Å; Y115-Y117 AromaticContact CD1-CE1 3.58Å; Y115-Y117 HydrophobicContact CD1-CE1 3.58Å; Y115-Y117 AromaticContact CD1-CE2 3.83Å; Y115-Y117 HydrophobicContact CD1-CE2 3.83Å; Y115-Y117 AromaticContact CD1-CG 3.64Å; Y115-Y117 HydrophobicContact CD1-CG 3.64Å; Y115-Y117 AromaticContact CD1-CZ 3.73Å; Y115-Y117 AromaticContact CE1-CD1 3.67Å; Y115-Y117 HydrophobicContact CE1-CD1 3.67Å; Y115-Y117 AromaticContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 HydrophobicContact CG-CE2 4.49Å; Y115-Y117 PolarHBondContact O-N 3.39Å; Y117-V180 HydrophobicContact CE1-CG2 4.17Å; Y117-D217 PolarHBondContact OH-O 2.72Å
118I91.5Very high94.5Very high146 Ų14643.7 Ų43.775%0.74919%0.19SC*.THydrogen-bonded Turntrans-76-49.5179.9-62.2175.5000109D116D116-I118 VanDerWaalsContact C-N 3.28Å; D116-I118 PolarHBondContact O-N 3.37Å; D116-I118 WeakPolarHBondContact OD1-CB 3.27Å; D116-I118 PolarHBondContact OD1-N 2.91Å
119H91.8Very high94.6Very high128 Ų12841.8 Ų41.859%0.59318%0.182SC*.THydrogen-bonded Turntrans-90-10.2-177.2-62.8-66.7000113.7D116 M121D116-H119 IonicContact OD1-CD2 2.69Å; D116-H119 IonicContact OD1-CG 3.2Å; D116-H119 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD2-CD2 3.34Å; D116-H119 PolarHBondContact OD2-CD2 2.97Å; H119-M121 HydrophobicContact CB-CG 3.51Å; H119-M121 HydrophobicContact CB-SD 3.63Å
120R93.1Very high94.6Very high167 Ų16744.1 Ų44.163%0.6319%0.193SC*.THydrogen-bonded Turntrans61.550.4-179.6-55.7-178.5174-138.4-2.1113.8Y115 D116 A178Y115-R120 VanDerWaalsContact OH-CA 3.24Å; Y115-R120 WeakPolarHBondContact OH-CA 3.45Å; D116-R120 WeakPolarHBondContact O-CA 3.38Å; D116-R120 PolarHBondContact O-N 2.83Å; R120-A178 CarbonylContact O-C 3.22Å; R120-A178 PolarHBondContact O-N 3.2Å
121M93.9Very high94.6Very high29 Ų2948.8 Ų48.814%0.14322%0.217CC..EExtended strand (participates in β ladder)trans-135.8141-17610.8-178.2-72.700111.2Y115 D116 H119 M123 F176Y115-M121 WeakPolarHBondContact CD2-O 3.38Å; D116-M121 HydrophobicContact CB-CG 4.41Å; D116-M121 PolarHBondContact N-O 3.18Å; D116-M121 PolarHBondContact O-N 2.76Å; H119-M121 HydrophobicContact CB-CG 3.51Å; H119-M121 HydrophobicContact CB-SD 3.63Å; M121-M123 HydrophobicContact CE-CE 4.25Å; M121-M123 HydrophobicContact CE-SD 3.25Å; M121-M123 WeakPolarHBondContact CE-SD 3.21Å; M121-F176 CarbonylContact C-O 3.41Å; M121-F176 VanDerWaalsContact CA-O 3.23Å; M121-F176 WeakPolarHBondContact CA-O 3.35Å; M121-F176 WeakPolarHBondContact CB-O 3.36Å
122L94Very high94.5Very high0 Ų048.7 Ų48.70%022%0.217CC..EExtended strand (participates in β ladder)trans-78.1121.4168.9178.471.4000108.6Y115 L149 S175 F176 L183 L212 L218Y115-L122 HydrophobicContact CD2-CB 4.46Å; L122-L149 HydrophobicContact CD2-CD1 3.8Å; L122-L149 HydrophobicContact CD2-CD2 4.45Å; L122-S175 CarbonylContact O-C 3.55Å; L122-S175 WeakPolarHBondContact O-CA 3.42Å; L122-F176 HydrophobicContact CB-CB 4.41Å; L122-F176 PolarHBondContact N-O 2.66Å; L122-F176 PolarHBondContact O-N 2.52Å; L122-L183 HydrophobicContact CB-CD2 4.27Å; L122-L183 HydrophobicContact CD1-CD1 4.33Å; L122-L183 HydrophobicContact CD2-CD2 4.38Å; L122-L212 HydrophobicContact CD2-CD1 3.8Å; L122-L218 HydrophobicContact CD1-CD1 3.99Å; L122-L218 HydrophobicContact CD1-CD2 4.48Å
123M94.8Very high94.4Very high5 Ų553.1 Ų53.13%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-97.2132.4176.7-57.8-65.9-76.400109.5V16 L113 R114 D116 M121 V173 F174 W221V16-M123 HydrophobicContact CG1-CE 4.41Å; V16-M123 HydrophobicContact CG2-CE 4.24Å; L113-M123 WeakPolarHBondContact CA-O 3.49Å; R114-M123 HydrophobicContact CG-CB 3.62Å; R114-M123 HydrophobicContact CG-CG 4.09Å; R114-M123 PolarHBondContact N-O 3.06Å; R114-M123 WeakPolarHBondContact O-CB 3.4Å; R114-M123 PolarHBondContact O-N 2.81Å; D116-M123 HydrophobicContact CB-CG 4.14Å; M121-M123 HydrophobicContact CE-CE 4.25Å; M121-M123 HydrophobicContact CE-SD 3.25Å; M121-M123 WeakPolarHBondContact CE-SD 3.21Å; M123-V173 HydrophobicContact CE-CG1 3.63Å; M123-F174 WeakPolarHBondContact CA-O 3.38Å; M123-W221 HydrophobicContact CB-CH2 3.73Å; M123-W221 HydrophobicContact CB-CZ2 4.47Å; M123-W221 HydrophobicContact CB-CZ3 4.13Å
124M95.4Very high94.2Very high0 Ų053.5 Ų53.50%024%0.24CC..EExtended strand (participates in β ladder)trans-121.4122.7174.3177.4-167.9171.400109.1F111 S112 L113 L126 A147 V173 F174 F176 L188 C190F111-M124 HydrophobicContact CB-CE 3.62Å; F111-M124 HydrophobicContact CB-CG 4.35Å; F111-M124 HydrophobicContact CD1-CE 4.23Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CD2-CG 4.34Å; F111-M124 HydrophobicContact CG-CE 3.77Å; S112-M124 CarbonylContact O-C 3.45Å; S112-M124 WeakPolarHBondContact O-CA 3.42Å; L113-M124 HydrophobicContact CD2-CB 3.82Å; L113-M124 HydrophobicContact CD2-CG 3.91Å; M124-L126 HydrophobicContact CE-CB 4.06Å; M124-L126 HydrophobicContact CE-CD1 3.99Å; M124-A147 HydrophobicContact SD-CB 3.91Å; M124-V173 CarbonylContact O-C 3.4Å; M124-V173 WeakPolarHBondContact O-CA 3.11Å; M124-F174 HydrophobicContact CB-CB 4.46Å; M124-F174 PolarHBondContact N-O 3.35Å; M124-F174 PolarHBondContact O-N 3.34Å; M124-F174 HydrophobicContact SD-CD2 4.18Å; M124-F176 HydrophobicContact CB-CE2 4.28Å; M124-F176 HydrophobicContact SD-CE2 4.45Å; M124-L188 HydrophobicContact CG-CD2 4.32Å; M124-L188 HydrophobicContact SD-CD1 4.06Å; M124-L188 HydrophobicContact SD-CD2 3.9Å; M124-L188 HydrophobicContact SD-CG 4.43Å; M124-C190 WeakPolarHBondContact CE-SG 3.49Å
125H96.8Very high93.7Very high45 Ų4553.2 Ų53.221%0.20824%0.244CC..EExtended strand (participates in β ladder)trans-98104168.3179.7-152.3000107.9F111 S112 I127 E172 V173 W221F111-H125 CarbonylContact C-O 3.57Å; F111-H125 WeakPolarHBondContact CA-O 3.44Å; F111-H125 VanDerWaalsContact CB-O 3.28Å; F111-H125 WeakPolarHBondContact CB-O 3.17Å; S112-H125 PolarHBondContact N-O 2.89Å; S112-H125 PolarHBondContact O-N 2.64Å; S112-H125 WeakPolarHBondContact OG-CB 3.48Å; H125-I127 PolarHBondContact O-N 3.41Å; H125-E172 CarbonylContact C-O 3.57Å; H125-V173 HydrophobicContact CB-CG2 3.86Å; H125-W221 HydrophobicContact CB-CE3 4.11Å; H125-W221 HydrophobicContact CB-CH2 3.75Å; H125-W221 HydrophobicContact CB-CZ2 4.46Å; H125-W221 HydrophobicContact CB-CZ3 3.56Å
126L97.3Very high93.2Very high0 Ų056 Ų560%026%0.26CS..EExtended strand (participates in β ladder)trans-76.5109.4172177.162.7000108.3I109 M124 V145 F170 N171 E172 F174I109-L126 HydrophobicContact CD1-CD1 3.61Å; I109-L126 HydrophobicContact CG1-CD1 3.83Å; M124-L126 HydrophobicContact CE-CB 4.06Å; M124-L126 HydrophobicContact CE-CD1 3.99Å; L126-V145 HydrophobicContact CD1-CG2 4.42Å; L126-V145 HydrophobicContact CD2-CB 3.72Å; L126-V145 HydrophobicContact CD2-CG1 4.24Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; L126-F170 HydrophobicContact CD1-CD2 4.05Å; L126-F170 HydrophobicContact CD1-CE2 4.5Å; L126-F170 HydrophobicContact CD2-CB 3.87Å; L126-F170 HydrophobicContact CD2-CD1 4.08Å; L126-F170 HydrophobicContact CD2-CD2 3.77Å; L126-F170 HydrophobicContact CD2-CE2 4.32Å; L126-F170 HydrophobicContact CD2-CG 3.63Å; L126-F170 HydrophobicContact CG-CB 3.8Å; L126-F170 HydrophobicContact CG-CD2 3.69Å; L126-F170 HydrophobicContact CG-CE2 4.49Å; L126-F170 HydrophobicContact CG-CG 3.84Å; L126-N171 CarbonylContact O-C 3.48Å; L126-N171 VanDerWaalsContact O-CA 3.27Å; L126-N171 WeakPolarHBondContact O-CA 3.32Å; L126-N171 PolarHBondContact O-N 3.49Å; L126-E172 PolarHBondContact N-O 3.15Å; L126-E172 PolarHBondContact O-N 3.25Å; L126-F174 HydrophobicContact CB-CD2 4.44Å; L126-F174 HydrophobicContact CB-CE2 3.93Å; L126-F174 HydrophobicContact CD2-CE2 3.86Å; L126-F174 HydrophobicContact CD2-CZ 4.29Å
127I97.1Very high92.7Very high23 Ų2360 Ų6012%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-88.8-66.3-171.2-54.3-179.1000109.5T110 H125 E169 F170 N171 E223T110-I127 HydrophobicContact CG2-CB 4.45Å; T110-I127 HydrophobicContact CG2-CD1 4.18Å; T110-I127 WeakPolarHBondContact O-CB 3.15Å; T110-I127 PolarHBondContact O-N 3.06Å; H125-I127 PolarHBondContact O-N 3.41Å; I127-E169 CarbonylContact O-C 3.6Å; I127-F170 PolarHBondContact O-N 3.34Å; I127-N171 PolarHBondContact O-N 2.99Å; I127-E223 HydrophobicContact CD1-CG 4.13Å; I127-E223 WeakPolarHBondContact CD1-OE2 3.33Å
128R97.3Very high92.3Very high89 Ų8960.2 Ų60.234%0.33631%0.307SS..EExtended strand (participates in β ladder)trans-157.2165.9-172.760.8-170.5-176.8127.615.5111.9T110 E130 P168 E169T110-R128 PolarHBondContact N-O 3.06Å; T110-R128 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact CZ-CD 3.49Å; R128-E130 IonicContact CZ-OE1 3.26Å; R128-E130 VanDerWaalsContact CZ-OE1 3.23Å; R128-E130 IonicContact CZ-OE2 3.35Å; R128-E130 VanDerWaalsContact NH1-CD 3.31Å; R128-E130 IonicContact NH1-OE1 3.32Å; R128-E130 PolarHBondContact NH1-OE1 3.27Å; R128-E130 IonicContact NH1-OE2 3.23Å; R128-E130 IonicContact NH2-OE1 2.67Å; R128-E130 PolarHBondContact NH2-OE1 2.84Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 3.25Å; R128-P168 CarbonylContact C-O 3.44Å; R128-P168 WeakPolarHBondContact CA-O 3.34Å; R128-P168 WeakPolarHBondContact CB-O 3.16Å; R128-E169 HydrophobicContact CB-CG 4.4Å
129A97.1Very high92.1Very high1 Ų156.4 Ų56.41%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-123.5153.3159.200000109.5Q108 I109 V132 N167 P168 F170 I228Q108-A129 CarbonylContact O-C 3.52Å; Q108-A129 WeakPolarHBondContact O-CA 3.43Å; Q108-A129 WeakPolarHBondContact O-CB 3.41Å; I109-A129 HydrophobicContact CG1-CB 4.42Å; A129-V132 HydrophobicContact CB-CG2 3.51Å; A129-N167 CarbonylContact O-C 3.6Å; A129-N167 WeakPolarHBondContact O-CA 3.43Å; A129-P168 HydrophobicContact CB-CG 3.82Å; A129-P168 PolarHBondContact N-O 2.8Å; A129-P168 WeakPolarHBondContact O-CD 3.18Å; A129-F170 HydrophobicContact CB-CE2 4.08Å; A129-I228 HydrophobicContact CB-CD1 4.47Å
130E95.7Very high92.1Very high50 Ų5055.3 Ų55.323%0.23428%0.278CS..EExtended strand (participates in β ladder)trans-129.1140-177.8-66.9-178.9122.400110.2G107 Q108 R128 V132 N167G107-E130 CarbonylContact C-O 3.49Å; G107-E130 VanDerWaalsContact CA-O 3.27Å; G107-E130 WeakPolarHBondContact CA-O 3.21Å; Q108-E130 PolarHBondContact N-O 2.85Å; Q108-E130 PolarHBondContact O-N 3.28Å; R128-E130 VanDerWaalsContact CZ-CD 3.49Å; R128-E130 IonicContact CZ-OE1 3.26Å; R128-E130 VanDerWaalsContact CZ-OE1 3.23Å; R128-E130 IonicContact CZ-OE2 3.35Å; R128-E130 VanDerWaalsContact NH1-CD 3.31Å; R128-E130 IonicContact NH1-OE1 3.32Å; R128-E130 PolarHBondContact NH1-OE1 3.27Å; R128-E130 IonicContact NH1-OE2 3.23Å; R128-E130 IonicContact NH2-OE1 2.67Å; R128-E130 PolarHBondContact NH2-OE1 2.84Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 3.25Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.89Å; E130-N167 WeakPolarHBondContact CA-OD1 3.2Å
131N94.6Very high92.1Very high97 Ų9747.3 Ų47.352%0.51925%0.248SC..SBendtrans51.942.5178.3-58.5-41.5000113.2G107 Q133 L166 N167G107-N131 WeakPolarHBondContact CA-O 3.4Å; G107-N131 PolarHBondContact N-O 2.85Å; N131-Q133 WeakPolarHBondContact O-CG 3.35Å; N131-Q133 PolarHBondContact O-N 2.83Å; N131-L166 PolarHBondContact N-O 2.7Å; N131-N167 PolarHBondContact N-OD1 2.89Å
132V94.5Very high92.2Very high0 Ų047.5 Ų47.50%025%0.25CC..  trans-63.6115.3179.81790000110.1R106 A129 E130 P134 P141 P143 L166 P168 V192 I204 I228R106-V132 WeakPolarHBondContact O-CA 3Å; A129-V132 HydrophobicContact CB-CG2 3.51Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.89Å; V132-P134 WeakPolarHBondContact O-CD 3.33Å; V132-P141 HydrophobicContact CG1-CG 4.3Å; V132-P143 HydrophobicContact CG1-CB 4.48Å; V132-L166 WeakPolarHBondContact CB-O 3.09Å; V132-L166 WeakPolarHBondContact CG2-O 3.23Å; V132-L166 PolarHBondContact N-O 2.94Å; V132-L166 WeakPolarHBondContact O-CD2 3.43Å; V132-P168 HydrophobicContact CG2-CG 4.41Å; V132-V192 HydrophobicContact CG1-CG1 4.28Å; V132-I204 HydrophobicContact CG1-CD1 3.4Å; V132-I204 HydrophobicContact CG1-CG2 3.98Å; V132-I228 HydrophobicContact CG2-CD1 4.21Å
133Q92Very high92.4Very high100 Ų10047.5 Ų47.547%0.46725%0.25SC..  trans-102.8103.4-175.3-62.7179.332.900111.6R106 N131 I204R106-Q133 HydrophobicContact CB-CB 4.37Å; R106-Q133 PolarHBondContact NH1-O 2.87Å; R106-Q133 PolarHBondContact O-N 2.89Å; N131-Q133 WeakPolarHBondContact O-CG 3.35Å; N131-Q133 PolarHBondContact O-N 2.83Å; Q133-I204 WeakPolarHBondContact O-CG2 3.49Å
134P89Confident92.5Very high8 Ų847.6 Ų47.65%0.05225%0.25CC..  trans-65.4164.9177.226.8-32.8000112.7R106 V132 D136 P141R106-P134 PolarHBondContact NH1-O 2.95Å; V132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-D136 WeakPolarHBondContact CG-O 3.25Å; P134-P141 HydrophobicContact CB-CB 4.07Å; P134-P141 HydrophobicContact CG-CB 4.17Å; P134-P141 HydrophobicContact CG-CG 4.2Å
135N84Confident92.6Very high74 Ų7447.6 Ų47.640%0.39625%0.25SC..SBendtrans-66.8-38.7171.1-68.1-33.3000112.1R106 I203R106-N135 PolarHBondContact NH1-OD1 2.75Å; R106-N135 PolarHBondContact NH2-OD1 2.69Å; N135-I203 PolarHBondContact ND2-O 2.84Å
136D83.4Confident92.5Very high69 Ų6946.8 Ų46.837%0.36925%0.246SC..  trans-93.497.2171.6-178.610000110.6P134 C138 R139P134-D136 WeakPolarHBondContact CG-O 3.25Å; D136-C138 PolarHBondContact O-N 3.25Å; D136-C138 WeakPolarHBondContact OD1-CB 3.43Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-C138 PolarHBondContact OD1-SG 3.5Å; D136-C138 VanDerWaalsContact OD1-SG 3.34Å; D136-R139 PolarHBondContact O-N 3.29Å
137S81.6Confident92.3Very high109 Ų10946.8 Ų46.876%0.76225%0.246SC*.THydrogen-bonded Turntrans-69.1-7.5178.5-43.90000113.9R139S137-R139 VanDerWaalsContact C-N 3.25Å; S137-R139 PolarHBondContact O-N 3.31Å
138C83Confident92Very high124 Ų12446.8 Ų46.884%0.83825%0.245SC*.THydrogen-bonded Turntrans-75.1-16179.9-55.70000112.9D136D136-C138 PolarHBondContact O-N 3.25Å; D136-C138 WeakPolarHBondContact OD1-CB 3.43Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-C138 PolarHBondContact OD1-SG 3.5Å; D136-C138 VanDerWaalsContact OD1-SG 3.34Å
139R87.8Confident91.6Very high66 Ų6642.9 Ų42.925%0.24923%0.23CC..SBendtrans-129.6156.6178.869.9176.6-172.781.1-5.5111.6D136 S137 D194 E196D136-R139 PolarHBondContact O-N 3.29Å; S137-R139 VanDerWaalsContact C-N 3.25Å; S137-R139 PolarHBondContact O-N 3.31Å; R139-D194 IonicContact CZ-OD1 3.33Å; R139-D194 IonicContact CZ-OD2 3.11Å; R139-D194 VanDerWaalsContact NH1-CG 3.28Å; R139-D194 IonicContact NH1-OD1 3.57Å; R139-D194 PolarHBondContact NH1-OD1 2.65Å; R139-D194 IonicContact NH1-OD2 3.89Å; R139-D194 PolarHBondContact NH1-OD2 2.84Å; R139-D194 IonicContact NH2-OD1 3.42Å; R139-D194 PolarHBondContact NH2-OD1 2.82Å; R139-D194 IonicContact NH2-OD2 3.16Å; R139-D194 PolarHBondContact NH2-OD2 3.42Å; R139-E196 IonicContact CZ-OE1 3.1Å; R139-E196 IonicContact NE-OE1 3.27Å; R139-E196 IonicContact NH2-OE1 2.9Å; R139-E196 PolarHBondContact NH2-OE1 2.76Å
140Q91.3Very high90.8Very high105 Ų10542.8 Ų42.849%0.49123%0.23SC..  trans-73.1142.7165.9-65.6-170.437.200109.8K164Q140-K164 HydrophobicContact CB-CB 4.01Å; Q140-K164 PolarHBondContact OE1-O 3.23Å
141P94.4Very high89.5Confident0 Ų043 Ų430%024%0.236CC..  trans-73.8160.6179.929.6-31.9000111.3V132 P134 P143 K164 S165 L166 D194 I204V132-P141 HydrophobicContact CG1-CG 4.3Å; P134-P141 HydrophobicContact CB-CB 4.07Å; P134-P141 HydrophobicContact CG-CB 4.17Å; P134-P141 HydrophobicContact CG-CG 4.2Å; P141-P143 WeakPolarHBondContact O-CD 3.47Å; P141-K164 CarbonylContact O-C 3.53Å; P141-K164 WeakPolarHBondContact O-CA 3.41Å; P141-K164 PolarHBondContact O-N 2.86Å; P141-K164 VanDerWaalsContact O-N 3.11Å; P141-S165 WeakPolarHBondContact CG-O 3.21Å; P141-S165 PolarHBondContact O-N 2.97Å; P141-L166 VanDerWaalsContact CD-CD2 3.42Å; P141-L166 HydrophobicContact CG-CD2 3.89Å; P141-D194 WeakPolarHBondContact CA-OD2 3.25Å; P141-D194 HydrophobicContact CB-CB 4.45Å; P141-D194 WeakPolarHBondContact CB-OD2 3.37Å; P141-I204 HydrophobicContact CB-CD1 4.05Å
142N95.8Very high88.6Confident33 Ų3342.2 Ų42.218%0.17623%0.229CC..  trans-108.873.4165.5-55-59.1000109.4I161 H162 K163 K164 D194 Y195N142-I161 HydrophobicContact CB-CG2 4.02Å; N142-H162 CarbonylContact C-O 3.41Å; N142-H162 WeakPolarHBondContact CA-O 3.45Å; N142-K163 WeakPolarHBondContact OD1-CA 3.37Å; N142-K164 PolarHBondContact OD1-N 3.12Å; N142-D194 PolarHBondContact N-OD1 2.78Å; N142-Y195 PolarHBondContact ND2-O 2.61Å; N142-Y195 WeakPolarHBondContact O-CB 3.27Å; N142-Y195 PolarHBondContact O-N 3.2Å
143P97.1Very high87.5Confident0 Ų046.8 Ų46.80%025%0.246CC..EExtended strand (participates in β ladder)trans-66.7139.5-168.226.6-36.2000113V132 P141 H162 S165 P168 V192 Y193V132-P143 HydrophobicContact CG1-CB 4.48Å; P141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-H162 WeakPolarHBondContact CD-O 3.47Å; P143-H162 HydrophobicContact CG-CB 4.25Å; P143-H162 PolarHBondContact O-N 2.95Å; P143-S165 VanDerWaalsContact CD-O 3.31Å; P143-S165 WeakPolarHBondContact CD-O 2.99Å; P143-S165 VanDerWaalsContact CG-O 3.29Å; P143-S165 WeakPolarHBondContact CG-O 3.1Å; P143-P168 HydrophobicContact CB-CG 4.04Å; P143-P168 HydrophobicContact CG-CB 3.76Å; P143-P168 HydrophobicContact CG-CG 3.53Å; P143-V192 HydrophobicContact CB-CG1 4.43Å; P143-Y193 VanDerWaalsContact CA-O 3.23Å; P143-Y193 WeakPolarHBondContact CA-O 3.16Å
144Y97.5Very high86.5Confident6 Ų649 Ų492%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-143158.216075.2-86.6000109.6K146 R158 S159 G160 I161 Y193 H201Y144-K146 HydrophobicContact CD2-CG 4.47Å; Y144-K146 HydrophobicContact CE2-CG 3.88Å; Y144-R158 HydrophobicContact CD2-CG 3.8Å; Y144-R158 VanDerWaalsContact CD2-NE 3.26Å; Y144-R158 HydrophobicContact CE2-CG 4.14Å; Y144-R158 VanDerWaalsContact CE2-NE 3.31Å; Y144-S159 WeakPolarHBondContact CA-OG 3.35Å; Y144-G160 WeakPolarHBondContact CB-O 3.29Å; Y144-I161 HydrophobicContact CD1-CG1 4.06Å; Y144-I161 HydrophobicContact CG-CG1 4.15Å; Y144-Y193 HydrophobicContact CD2-CD2 4.49Å; Y144-Y193 HydrophobicContact CE1-CG 4.04Å; Y144-Y193 AromaticContact CE2-CD2 3.77Å; Y144-Y193 HydrophobicContact CE2-CD2 3.77Å; Y144-Y193 AromaticContact CE2-CG 3.95Å; Y144-Y193 HydrophobicContact CE2-CG 3.95Å; Y144-Y193 AromaticContact CZ-CD2 3.84Å; Y144-Y193 AromaticContact CZ-CG 3.51Å; Y144-Y193 PolarHBondContact N-O 2.66Å; Y144-Y193 PolarHBondContact O-N 3.4Å; Y144-Y193 WeakPolarHBondContact OH-CB 3.37Å; Y144-Y193 WeakPolarHBondContact OH-CD1 3.21Å; Y144-Y193 VanDerWaalsContact OH-CG 3.27Å; Y144-H201 HydrophobicContact CE1-CB 4.41Å; Y144-H201 AromaticContact CE1-ND1 3.45Å; Y144-H201 WeakPolarHBondContact CE1-ND1 3.28Å; Y144-H201 AromaticContact CZ-ND1 3.51Å; Y144-H201 PolarHBondContact OH-ND1 3.26Å
145V96.9Very high86Confident0 Ų053.2 Ų53.20%028%0.275CS..EExtended strand (participates in β ladder)trans-114.7136-176.1-176.20000109.6I109 L126 R158 S159 F170 C190 T191 V192I109-V145 HydrophobicContact CD1-CG1 4.13Å; I109-V145 HydrophobicContact CD1-CG2 3.97Å; L126-V145 HydrophobicContact CD1-CG2 4.42Å; L126-V145 HydrophobicContact CD2-CB 3.72Å; L126-V145 HydrophobicContact CD2-CG1 4.24Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; V145-R158 WeakPolarHBondContact O-CA 3.17Å; V145-S159 PolarHBondContact N-OG 3.14Å; V145-S159 PolarHBondContact O-N 3.25Å; V145-F170 HydrophobicContact CG2-CE1 4.18Å; V145-F170 HydrophobicContact CG2-CE2 3.9Å; V145-F170 HydrophobicContact CG2-CZ 3.63Å; V145-C190 HydrophobicContact CG1-CB 3.87Å; V145-T191 CarbonylContact C-O 3.56Å; V145-T191 WeakPolarHBondContact CA-O 3.27Å; V145-V192 HydrophobicContact CG2-CG2 4.31Å
146K94.7Very high86.3Confident29 Ų2951.2 Ų51.213%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-104.8126.5160.3-65.5-167.7173-166.80108.9Y144 Y148 Y156 C157 R158 C190 T191 Y193Y144-K146 HydrophobicContact CD2-CG 4.47Å; Y144-K146 HydrophobicContact CE2-CG 3.88Å; K146-Y148 HydrophobicContact CB-CD2 4.43Å; K146-Y148 HydrophobicContact CB-CE2 3.67Å; K146-Y148 HydrophobicContact CD-CE2 4.37Å; K146-Y148 WeakPolarHBondContact CD-OH 3.48Å; K146-Y156 HydrophobicContact CB-CD2 4.27Å; K146-Y156 HydrophobicContact CD-CD2 3.88Å; K146-Y156 HydrophobicContact CD-CE2 3.82Å; K146-Y156 HydrophobicContact CG-CD2 4.06Å; K146-Y156 HydrophobicContact CG-CE2 4.21Å; K146-C157 CarbonylContact C-O 3.55Å; K146-C157 WeakPolarHBondContact CA-O 3.3Å; K146-R158 HydrophobicContact CG-CG 4.27Å; K146-C190 CarbonylContact O-C 3.58Å; K146-C190 WeakPolarHBondContact O-CA 3.12Å; K146-T191 PolarHBondContact N-O 3.44Å; K146-T191 PolarHBondContact O-N 3.35Å; K146-Y193 HydrophobicContact CB-CE2 4.01Å; K146-Y193 HydrophobicContact CD-CE2 3.8Å; K146-Y193 HydrophobicContact CG-CD2 4.12Å; K146-Y193 HydrophobicContact CG-CE2 3.76Å
147A94.4Very high86.8Confident0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-110.8130.1178.100000110.4M124 Y156 C157 F174 F176 Q189M124-A147 HydrophobicContact SD-CB 3.91Å; A147-Y156 VanDerWaalsContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CB 3.49Å; A147-C157 PolarHBondContact N-O 3.33Å; A147-C157 PolarHBondContact O-N 2.84Å; A147-F174 HydrophobicContact CB-CD2 4.3Å; A147-F176 HydrophobicContact CB-CZ 3.77Å; A147-F176 WeakPolarHBondContact O-CE1 3.34Å; A147-Q189 CarbonylContact C-O 3.51Å; A147-Q189 VanDerWaalsContact CA-O 3.26Å; A147-Q189 WeakPolarHBondContact CA-O 3.31Å
148Y89.5Confident87.4Confident23 Ų2347.3 Ų47.39%0.0923%0.225CC..EExtended strand (participates in β ladder)trans-123.6140.6-179.4-63.1-97.6000110K146 R153 Y156 L188 Q189K146-Y148 HydrophobicContact CB-CD2 4.43Å; K146-Y148 HydrophobicContact CB-CE2 3.67Å; K146-Y148 HydrophobicContact CD-CE2 4.37Å; K146-Y148 WeakPolarHBondContact CD-OH 3.48Å; Y148-R153 WeakPolarHBondContact CE1-O 3.45Å; Y148-Y156 AromaticContact CE1-CD1 3.95Å; Y148-Y156 HydrophobicContact CE1-CD1 3.95Å; Y148-Y156 AromaticContact CE1-CG 3.92Å; Y148-Y156 HydrophobicContact CE1-CG 3.92Å; Y148-Y156 AromaticContact CZ-CG 3.93Å; Y148-L188 WeakPolarHBondContact O-CA 3.2Å; Y148-Q189 PolarHBondContact N-O 3.19Å; Y148-Q189 PolarHBondContact O-N 2.76Å
149L89.6Confident88.1Confident6 Ų641.7 Ų41.73%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-101.494.9167.6-170.466.9000109.8L122 E152 F176 A178 L183 R186 L212L122-L149 HydrophobicContact CD2-CD1 3.8Å; L122-L149 HydrophobicContact CD2-CD2 4.45Å; L149-E152 PolarHBondContact O-N 2.93Å; L149-F176 HydrophobicContact CB-CB 4.01Å; L149-F176 HydrophobicContact CB-CD1 3.63Å; L149-F176 HydrophobicContact CB-CD2 4.49Å; L149-F176 HydrophobicContact CB-CE1 4.21Å; L149-F176 HydrophobicContact CB-CG 3.8Å; L149-F176 HydrophobicContact CD2-CB 3.66Å; L149-F176 HydrophobicContact CD2-CG 4.3Å; L149-F176 HydrophobicContact CG-CB 4.42Å; L149-A178 HydrophobicContact CD2-CB 3.48Å; L149-A178 VanDerWaalsContact CD2-CB 3.48Å; L149-L183 HydrophobicContact CD2-CD2 4.3Å; L149-R186 HydrophobicContact CD1-CB 3.67Å; L149-R186 HydrophobicContact CD1-CG 4.27Å; L149-R186 HydrophobicContact CD2-CB 4.48Å; L149-R186 HydrophobicContact CD2-CG 4.19Å; L149-R186 HydrophobicContact CG-CB 4Å; L149-R186 HydrophobicContact CG-CG 4.11Å; L149-L212 HydrophobicContact CD1-CD1 3.96Å
150L79.2Confident88.5Confident0 Ų040.1 Ų40.10%019%0.192CC..EExtended strand (participates in β ladder)trans-73.6151-173.4-56.7171.3000111.5R153 R186 M187 Q189 Y261L150-R153 HydrophobicContact CD2-CG 3.88Å; L150-R186 VanDerWaalsContact O-CA 3.26Å; L150-R186 WeakPolarHBondContact O-CA 3.4Å; L150-R186 WeakPolarHBondContact O-CD 3.28Å; L150-M187 HydrophobicContact CB-CB 4.25Å; L150-M187 WeakPolarHBondContact CB-O 3.48Å; L150-M187 HydrophobicContact CD1-CB 4.28Å; L150-M187 HydrophobicContact CD1-CE 4.46Å; L150-M187 PolarHBondContact N-O 2.88Å; L150-M187 PolarHBondContact O-N 2.84Å; L150-M187 VanDerWaalsContact O-N 3.16Å; L150-Q189 HydrophobicContact CD1-CB 3.53Å; L150-Q189 HydrophobicContact CD1-CG 4.42Å; L150-Q189 HydrophobicContact CG-CB 4.08Å; L150-Y261 HydrophobicContact CB-CE2 3.79Å; L150-Y261 HydrophobicContact CD1-CD1 4.43Å; L150-Y261 HydrophobicContact CD1-CE1 3.5Å; L150-Y261 HydrophobicContact CD1-CE2 3.84Å; L150-Y261 WeakPolarHBondContact CD1-OH 3.34Å; L150-Y261 HydrophobicContact CD2-CE2 4.06Å; L150-Y261 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y261 HydrophobicContact CG-CE2 4.09Å; L150-Y261 WeakPolarHBondContact CG-OH 3.04Å
151P68.8Low88.8Confident55 Ų5538.2 Ų38.236%0.35719%0.185SC..THydrogen-bonded Turncis-77.2-6.76.729.5-40000117.1R153 R186P151-R153 PolarHBondContact O-N 2.82Å; P151-R153 VanDerWaalsContact O-N 3.16Å; P151-R186 VanDerWaalsContact CD-NH1 3.29Å
152E75.5Confident88.9Confident80 Ų8040.6 Ų40.637%0.37420%0.196SC..  trans-64.4118.7176.6-76.1101.2-143.300110.4L149 R186L149-E152 PolarHBondContact O-N 2.93Å; E152-R186 VanDerWaalsContact CD-CZ 3.42Å; E152-R186 VanDerWaalsContact CD-NH2 3.3Å; E152-R186 IonicContact OE1-CZ 3.51Å; E152-R186 IonicContact OE1-NH1 3.4Å; E152-R186 PolarHBondContact OE1-NH1 2.8Å; E152-R186 IonicContact OE1-NH2 3.51Å; E152-R186 PolarHBondContact OE1-NH2 2.89Å; E152-R186 IonicContact OE2-CZ 3.03Å; E152-R186 IonicContact OE2-NE 3.67Å; E152-R186 IonicContact OE2-NH1 2.66Å; E152-R186 PolarHBondContact OE2-NH1 2.96Å; E152-R186 IonicContact OE2-NH2 3.21Å; E152-R186 PolarHBondContact OE2-NH2 3.38Å; E152-R186 VanDerWaalsContact OE2-NH2 3.07Å
153R70.9Confident88.9Confident95 Ų9547.5 Ų47.536%0.35822%0.224SC..  trans-105.2-13.1175.4-73.4-172.7169.9-169.9-0.9113.6Y148 L150 P151 H155 Y261 N262 H300Y148-R153 WeakPolarHBondContact CE1-O 3.45Å; L150-R153 HydrophobicContact CD2-CG 3.88Å; P151-R153 PolarHBondContact O-N 2.82Å; P151-R153 VanDerWaalsContact O-N 3.16Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.47Å; R153-Y261 PolarHBondContact NE-OH 2.8Å; R153-Y261 PolarHBondContact NH2-OH 2.74Å; R153-N262 PolarHBondContact NH2-OD1 3.07Å; R153-H300 PolarHBondContact NH2-CE1 2.81Å
154H71.4Confident88.7Confident146 Ų14654.8 Ų54.868%0.67626%0.256SS*.SBendtrans-71.2-28-176.5-61.8-64000112.7E22E22-H154 PolarHBondContact N-O 3.2Å
155H79.8Confident88.6Confident97 Ų9756 Ų5645%0.44927%0.265SS..EExtended strand (participates in β ladder)trans-111.3127-178.2-59.4-168.7000108.7C19 D21 R153C19-H155 HydrophobicContact CB-CB 4.43Å; D21-H155 IonicContact OD1-CD2 3.02Å; D21-H155 PolarHBondContact OD1-CD2 2.87Å; D21-H155 IonicContact OD1-CE1 3.38Å; D21-H155 IonicContact OD1-CG 2.84Å; D21-H155 IonicContact OD1-NE2 2.95Å; D21-H155 PolarHBondContact OD1-NE2 2.53Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.47Å
156Y89.9Confident88.6Confident33 Ų3359.3 Ų59.313%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-140.1151.1172.867.3-87000111C19 A20 E22 K146 A147 Y148 R158C19-Y156 CarbonylContact C-O 3.56Å; C19-Y156 WeakPolarHBondContact CA-O 3.38Å; C19-Y156 WeakPolarHBondContact CB-O 3.33Å; C19-Y156 VanDerWaalsContact SG-C 3.6Å; A20-Y156 PolarHBondContact N-O 2.93Å; A20-Y156 PolarHBondContact O-N 3.18Å; E22-Y156 HydrophobicContact CB-CE1 4.34Å; K146-Y156 HydrophobicContact CB-CD2 4.27Å; K146-Y156 HydrophobicContact CD-CD2 3.88Å; K146-Y156 HydrophobicContact CD-CE2 3.82Å; K146-Y156 HydrophobicContact CG-CD2 4.06Å; K146-Y156 HydrophobicContact CG-CE2 4.21Å; A147-Y156 VanDerWaalsContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CB 3.49Å; Y148-Y156 AromaticContact CE1-CD1 3.95Å; Y148-Y156 HydrophobicContact CE1-CD1 3.95Å; Y148-Y156 AromaticContact CE1-CG 3.92Å; Y148-Y156 HydrophobicContact CE1-CG 3.92Å; Y148-Y156 AromaticContact CZ-CG 3.93Å; Y156-R158 HydrophobicContact CD2-CB 4.18Å; Y156-R158 HydrophobicContact CE2-CB 4Å
157C93.6Very high88.7Confident2 Ų261.9 Ų61.91%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-101.5143.2170.5-78.40000108.3C19 K146 A147 F174 F176C19-C157 WeakPolarHBondContact CA-SG 3.42Å; C19-C157 HydrophobicContact CB-CB 4.43Å; C19-C157 WeakPolarHBondContact CB-SG 3.4Å; C19-C157 PolarHBondContact N-SG 3.32Å; C19-C157 WeakPolarHBondContact SG-CB 3.31Å; C19-C157 PolarHBondContact SG-N 3.4Å; C19-C157 VanDerWaalsContact SG-N 3.44Å; C19-C157 CovalentContact SG-SG 2.08Å; C19-C157 PolarHBondContact SG-SG 3.44Å; K146-C157 CarbonylContact C-O 3.55Å; K146-C157 WeakPolarHBondContact CA-O 3.3Å; A147-C157 PolarHBondContact N-O 3.33Å; A147-C157 PolarHBondContact O-N 2.84Å; C157-F174 HydrophobicContact CB-CB 3.69Å; C157-F174 HydrophobicContact CB-CD1 3.62Å; C157-F174 HydrophobicContact CB-CD2 4Å; C157-F174 HydrophobicContact CB-CE1 4.26Å; C157-F174 HydrophobicContact CB-CG 3.49Å; C157-F174 VanDerWaalsContact CB-CG 3.49Å; C157-F176 HydrophobicContact CB-CE1 4.4Å; C157-F176 HydrophobicContact CB-CZ 4.24Å
158R95.3Very high88.8Confident93 Ų9361.9 Ų61.935%0.35130%0.298SS..EExtended strand (participates in β ladder)trans-130.4133-174.3-174.2-169.5173.4175.90.1109.9Y144 V145 K146 Y156Y144-R158 HydrophobicContact CD2-CG 3.8Å; Y144-R158 VanDerWaalsContact CD2-NE 3.26Å; Y144-R158 HydrophobicContact CE2-CG 4.14Å; Y144-R158 VanDerWaalsContact CE2-NE 3.31Å; V145-R158 WeakPolarHBondContact O-CA 3.17Å; K146-R158 HydrophobicContact CG-CG 4.27Å; Y156-R158 HydrophobicContact CD2-CB 4.18Å; Y156-R158 HydrophobicContact CE2-CB 4Å
159S97.2Very high89.2Confident6 Ų666.9 Ų66.94%0.04232%0.322CS..PPolyproline II helixtrans-74.4164.5174.180.20000112.9Y144 V145 F170 E172Y144-S159 WeakPolarHBondContact CA-OG 3.35Å; V145-S159 PolarHBondContact N-OG 3.14Å; V145-S159 PolarHBondContact O-N 3.25Å; S159-F170 WeakPolarHBondContact OG-CD1 3.49Å; S159-F170 WeakPolarHBondContact OG-CE1 3.21Å; S159-E172 WeakPolarHBondContact CA-OE1 3.41Å; S159-E172 WeakPolarHBondContact CA-OE2 3.41Å; S159-E172 WeakPolarHBondContact CB-OE1 3.41Å
160G95.9Very high89.6Confident34 Ų3467.2 Ų67.235%0.35132%0.323SS..PPolyproline II helixtrans-55.9155.4158.100000112.2Y144 E172Y144-G160 WeakPolarHBondContact CB-O 3.29Å; G160-E172 PolarHBondContact N-OE1 2.97Å; G160-E172 PolarHBondContact N-OE2 3.4Å; G160-E172 VanDerWaalsContact N-OE2 3.16Å
161I96.9Very high90.4Very high64 Ų6471.2 Ų71.233%0.32834%0.344SS..PPolyproline II helixtrans-91.1120.7175.5-60.4158.9000108.6N142 Y144 Y195N142-I161 HydrophobicContact CB-CG2 4.02Å; Y144-I161 HydrophobicContact CD1-CG1 4.06Å; Y144-I161 HydrophobicContact CG-CG1 4.15Å; I161-Y195 HydrophobicContact CD1-CD1 4.14Å; I161-Y195 HydrophobicContact CD1-CD2 3.51Å; I161-Y195 HydrophobicContact CD1-CE1 4.44Å; I161-Y195 HydrophobicContact CD1-CE2 3.88Å; I161-Y195 HydrophobicContact CD1-CG 3.67Å; I161-Y195 HydrophobicContact CG1-CD2 4.4Å; I161-Y195 HydrophobicContact CG1-CG 4.3Å; I161-Y195 HydrophobicContact CG2-CD1 4.19Å; I161-Y195 HydrophobicContact CG2-CG 4.06Å
162H96.8Very high91.7Very high51 Ų5170.1 Ų70.124%0.23633%0.334CS..PPolyproline II helixtrans-90.8122.9171.9-71.2-99.5000109.1N142 P143 P168 E169 F170N142-H162 CarbonylContact C-O 3.41Å; N142-H162 WeakPolarHBondContact CA-O 3.45Å; P143-H162 WeakPolarHBondContact CD-O 3.47Å; P143-H162 HydrophobicContact CG-CB 4.25Å; P143-H162 PolarHBondContact O-N 2.95Å; H162-P168 HydrophobicContact CB-CB 3.7Å; H162-E169 PolarHBondContact CE1-O 2.82Å; H162-E169 PolarHBondContact NE2-O 3.05Å; H162-F170 AromaticContact CD2-CD1 3.46Å; H162-F170 VanDerWaalsContact CD2-CD1 3.46Å; H162-F170 WeakPolarHBondContact CD2-CD1 3.47Å; H162-F170 AromaticContact CD2-CE1 3.54Å; H162-F170 AromaticContact NE2-CD1 3.53Å
163K95.1Very high92.8Very high177 Ų17766.7 Ų66.777%0.7732%0.319SS*.SBendtrans-82.7130.7-176.5-65.1179.1-177.3173.10110.5N142 S165N142-K163 WeakPolarHBondContact OD1-CA 3.37Å; K163-S165 PolarHBondContact O-N 3.38Å
164K94.3Very high93.9Very high154 Ų15462.1 Ų62.167%0.6730%0.302SS*.SBendtrans47.660.7172.3-58-179.4-179.3-177.50112.3Q140 P141 N142Q140-K164 HydrophobicContact CB-CB 4.01Å; Q140-K164 PolarHBondContact OE1-O 3.23Å; P141-K164 CarbonylContact O-C 3.53Å; P141-K164 WeakPolarHBondContact O-CA 3.41Å; P141-K164 PolarHBondContact O-N 2.86Å; P141-K164 VanDerWaalsContact O-N 3.11Å; N142-K164 PolarHBondContact OD1-N 3.12Å
165S95.9Very high95Very high30 Ų3056 Ų5621%0.2128%0.275CS..  trans-139.9127.6179.5-175.30000111.5P141 P143 K163 N167P141-S165 WeakPolarHBondContact CG-O 3.21Å; P141-S165 PolarHBondContact O-N 2.97Å; P143-S165 VanDerWaalsContact CD-O 3.31Å; P143-S165 WeakPolarHBondContact CD-O 2.99Å; P143-S165 VanDerWaalsContact CG-O 3.29Å; P143-S165 WeakPolarHBondContact CG-O 3.1Å; K163-S165 PolarHBondContact O-N 3.38Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact OG-N 3.31Å; S165-N167 VanDerWaalsContact OG-N 3.11Å; S165-N167 PolarHBondContact OG-O 3.45Å
166L96.2Very high95.7Very high70 Ų7051.8 Ų51.837%0.36626%0.256SS..SBendtrans-81.1-16.3168.7-58.5173.6000112N131 V132 P141N131-L166 PolarHBondContact N-O 2.7Å; V132-L166 WeakPolarHBondContact CB-O 3.09Å; V132-L166 WeakPolarHBondContact CG2-O 3.23Å; V132-L166 PolarHBondContact N-O 2.94Å; V132-L166 WeakPolarHBondContact O-CD2 3.43Å; P141-L166 VanDerWaalsContact CD-CD2 3.42Å; P141-L166 HydrophobicContact CG-CD2 3.89Å
167N97Very high95.7Very high83 Ų8356.3 Ų56.344%0.44428%0.282SS..SBendtrans-13166.6-175.8-56-61.6000109.7A129 E130 N131 S165A129-N167 CarbonylContact O-C 3.6Å; A129-N167 WeakPolarHBondContact O-CA 3.43Å; E130-N167 WeakPolarHBondContact CA-OD1 3.2Å; N131-N167 PolarHBondContact N-OD1 2.89Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact OG-N 3.31Å; S165-N167 VanDerWaalsContact OG-N 3.11Å; S165-N167 PolarHBondContact OG-O 3.45Å
168P97.1Very high95.5Very high1 Ų156.3 Ų56.31%0.00628%0.282CS..  trans-69134.2179.531.1-37.8000111.2R128 A129 V132 P143 H162 F170R128-P168 CarbonylContact C-O 3.44Å; R128-P168 WeakPolarHBondContact CA-O 3.34Å; R128-P168 WeakPolarHBondContact CB-O 3.16Å; A129-P168 HydrophobicContact CB-CG 3.82Å; A129-P168 PolarHBondContact N-O 2.8Å; A129-P168 WeakPolarHBondContact O-CD 3.18Å; V132-P168 HydrophobicContact CG2-CG 4.41Å; P143-P168 HydrophobicContact CB-CG 4.04Å; P143-P168 HydrophobicContact CG-CB 3.76Å; P143-P168 HydrophobicContact CG-CG 3.53Å; H162-P168 HydrophobicContact CB-CB 3.7Å; P168-F170 HydrophobicContact CB-CE1 4.08Å; P168-F170 HydrophobicContact CB-CE2 3.98Å; P168-F170 HydrophobicContact CB-CZ 3.71Å; P168-F170 HydrophobicContact CG-CE1 4.33Å; P168-F170 HydrophobicContact CG-CE2 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.48Å; P168-F170 VanDerWaalsContact CG-CZ 3.48Å
169E97.2Very high95.2Very high127 Ų12755 Ų5559%0.59329%0.285SS*.EExtended strand (participates in β ladder)trans-103100.9168.4-67.7-173.5172.100108.8I127 R128 H162I127-E169 CarbonylContact O-C 3.6Å; R128-E169 HydrophobicContact CB-CG 4.4Å; H162-E169 PolarHBondContact CE1-O 2.82Å; H162-E169 PolarHBondContact NE2-O 3.05Å
170F96.8Very high94.8Very high13 Ų1356.4 Ų56.46%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-76.9-55.4-177.1-58.5-77.8000110.7L126 I127 A129 V145 S159 H162 P168 E172L126-F170 HydrophobicContact CD1-CD2 4.05Å; L126-F170 HydrophobicContact CD1-CE2 4.5Å; L126-F170 HydrophobicContact CD2-CB 3.87Å; L126-F170 HydrophobicContact CD2-CD1 4.08Å; L126-F170 HydrophobicContact CD2-CD2 3.77Å; L126-F170 HydrophobicContact CD2-CE2 4.32Å; L126-F170 HydrophobicContact CD2-CG 3.63Å; L126-F170 HydrophobicContact CG-CB 3.8Å; L126-F170 HydrophobicContact CG-CD2 3.69Å; L126-F170 HydrophobicContact CG-CE2 4.49Å; L126-F170 HydrophobicContact CG-CG 3.84Å; I127-F170 PolarHBondContact O-N 3.34Å; A129-F170 HydrophobicContact CB-CE2 4.08Å; V145-F170 HydrophobicContact CG2-CE1 4.18Å; V145-F170 HydrophobicContact CG2-CE2 3.9Å; V145-F170 HydrophobicContact CG2-CZ 3.63Å; S159-F170 WeakPolarHBondContact OG-CD1 3.49Å; S159-F170 WeakPolarHBondContact OG-CE1 3.21Å; H162-F170 AromaticContact CD2-CD1 3.46Å; H162-F170 VanDerWaalsContact CD2-CD1 3.46Å; H162-F170 WeakPolarHBondContact CD2-CD1 3.47Å; H162-F170 AromaticContact CD2-CE1 3.54Å; H162-F170 AromaticContact NE2-CD1 3.53Å; P168-F170 HydrophobicContact CB-CE1 4.08Å; P168-F170 HydrophobicContact CB-CE2 3.98Å; P168-F170 HydrophobicContact CB-CZ 3.71Å; P168-F170 HydrophobicContact CG-CE1 4.33Å; P168-F170 HydrophobicContact CG-CE2 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.48Å; P168-F170 VanDerWaalsContact CG-CZ 3.48Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 2.88Å
171N96.6Very high94.2Very high84 Ų8461.3 Ų61.345%0.44931%0.312SS..EExtended strand (participates in β ladder)trans49.845.7-173.8-60.5-52000113.1L126 I127L126-N171 CarbonylContact O-C 3.48Å; L126-N171 VanDerWaalsContact O-CA 3.27Å; L126-N171 WeakPolarHBondContact O-CA 3.32Å; L126-N171 PolarHBondContact O-N 3.49Å; I127-N171 PolarHBondContact O-N 2.99Å
172E97.3Very high93.6Very high32 Ų3259.4 Ų59.415%0.1531%0.305CS..EExtended strand (participates in β ladder)trans-112139.6-177.8-69.9177.6-114.800110.5L17 H125 L126 S159 G160 F170 F174L17-E172 VanDerWaalsContact CD1-OE2 3.28Å; L17-E172 WeakPolarHBondContact CD1-OE2 3.14Å; H125-E172 CarbonylContact C-O 3.57Å; L126-E172 PolarHBondContact N-O 3.15Å; L126-E172 PolarHBondContact O-N 3.25Å; S159-E172 WeakPolarHBondContact CA-OE1 3.41Å; S159-E172 WeakPolarHBondContact CA-OE2 3.41Å; S159-E172 WeakPolarHBondContact CB-OE1 3.41Å; G160-E172 PolarHBondContact N-OE1 2.97Å; G160-E172 PolarHBondContact N-OE2 3.4Å; G160-E172 VanDerWaalsContact N-OE2 3.16Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 2.88Å; E172-F174 HydrophobicContact CB-CE1 4.13Å; E172-F174 HydrophobicContact CB-CZ 4.05Å
173V96.7Very high93Very high8 Ų857 Ų575%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-109125.2177.3176.40000110.8V14 L17 M123 M124 H125 W221V14-V173 HydrophobicContact CG1-CB 3.66Å; V14-V173 HydrophobicContact CG1-CG2 3.49Å; V14-V173 VanDerWaalsContact CG1-CG2 3.49Å; L17-V173 PolarHBondContact N-O 3.5Å; M123-V173 HydrophobicContact CE-CG1 3.63Å; M124-V173 CarbonylContact O-C 3.4Å; M124-V173 WeakPolarHBondContact O-CA 3.11Å; H125-V173 HydrophobicContact CB-CG2 3.86Å; V173-W221 HydrophobicContact CG1-CH2 4.08Å; V173-W221 HydrophobicContact CG2-CH2 4.37Å
174F95.6Very high92.2Very high0 Ų052.3 Ų52.30%028%0.28CS..EExtended strand (participates in β ladder)trans-108.8156175.8-55.3-42.6000110.7L17 M123 M124 L126 A147 C157 E172 F176L17-F174 HydrophobicContact CB-CD1 4.19Å; L17-F174 HydrophobicContact CB-CE1 4.35Å; L17-F174 HydrophobicContact CD1-CE1 3.95Å; M123-F174 WeakPolarHBondContact CA-O 3.38Å; M124-F174 HydrophobicContact CB-CB 4.46Å; M124-F174 PolarHBondContact N-O 3.35Å; M124-F174 PolarHBondContact O-N 3.34Å; M124-F174 HydrophobicContact SD-CD2 4.18Å; L126-F174 HydrophobicContact CB-CD2 4.44Å; L126-F174 HydrophobicContact CB-CE2 3.93Å; L126-F174 HydrophobicContact CD2-CE2 3.86Å; L126-F174 HydrophobicContact CD2-CZ 4.29Å; A147-F174 HydrophobicContact CB-CD2 4.3Å; C157-F174 HydrophobicContact CB-CB 3.69Å; C157-F174 HydrophobicContact CB-CD1 3.62Å; C157-F174 HydrophobicContact CB-CD2 4Å; C157-F174 HydrophobicContact CB-CE1 4.26Å; C157-F174 HydrophobicContact CB-CG 3.49Å; C157-F174 VanDerWaalsContact CB-CG 3.49Å; E172-F174 HydrophobicContact CB-CE1 4.13Å; E172-F174 HydrophobicContact CB-CZ 4.05Å; F174-F176 HydrophobicContact CB-CE2 4.45Å
175S94.2Very high91.1Very high17 Ų1747.1 Ų47.112%0.11926%0.263CS..EExtended strand (participates in β ladder)trans-131.2136.1175.1530000110.8C19 L122C19-S175 PolarHBondContact SG-O 3.3Å; C19-S175 VanDerWaalsContact SG-O 3.37Å; L122-S175 CarbonylContact O-C 3.55Å; L122-S175 WeakPolarHBondContact O-CA 3.42Å
176F93.1Very high90.3Very high9 Ų947.3 Ų47.34%0.03926%0.259CS..EExtended strand (participates in β ladder)trans-118.1123.7172.8-59-84.1000109.9M121 L122 M124 A147 L149 C157 F174 A178 L188M121-F176 CarbonylContact C-O 3.41Å; M121-F176 VanDerWaalsContact CA-O 3.23Å; M121-F176 WeakPolarHBondContact CA-O 3.35Å; M121-F176 WeakPolarHBondContact CB-O 3.36Å; L122-F176 HydrophobicContact CB-CB 4.41Å; L122-F176 PolarHBondContact N-O 2.66Å; L122-F176 PolarHBondContact O-N 2.52Å; M124-F176 HydrophobicContact CB-CE2 4.28Å; M124-F176 HydrophobicContact SD-CE2 4.45Å; A147-F176 HydrophobicContact CB-CZ 3.77Å; A147-F176 WeakPolarHBondContact O-CE1 3.34Å; L149-F176 HydrophobicContact CB-CB 4.01Å; L149-F176 HydrophobicContact CB-CD1 3.63Å; L149-F176 HydrophobicContact CB-CD2 4.49Å; L149-F176 HydrophobicContact CB-CE1 4.21Å; L149-F176 HydrophobicContact CB-CG 3.8Å; L149-F176 HydrophobicContact CD2-CB 3.66Å; L149-F176 HydrophobicContact CD2-CG 4.3Å; L149-F176 HydrophobicContact CG-CB 4.42Å; C157-F176 HydrophobicContact CB-CE1 4.4Å; C157-F176 HydrophobicContact CB-CZ 4.24Å; F174-F176 HydrophobicContact CB-CE2 4.45Å; F176-A178 PolarHBondContact O-N 3.32Å; F176-A178 VanDerWaalsContact O-N 3.11Å; F176-L188 HydrophobicContact CD2-CD1 4.44Å; F176-L188 HydrophobicContact CE2-CD1 3.71Å; F176-L188 HydrophobicContact CZ-CD1 4.01Å
177D91.7Very high89.7Confident128 Ų12844.1 Ų44.168%0.68424%0.242SC*.EExtended strand (participates in β ladder)trans-69.9106.1175-65.1-32.8000109.8
178A88.5Confident89.3Confident1 Ų140.2 Ų40.21%0.00822%0.221CC..  trans-157.5118.7-179.900000109.6Y115 R120 L149 F176 L183Y115-A178 WeakPolarHBondContact CE2-O 3.24Å; Y115-A178 PolarHBondContact OH-O 2.74Å; Y115-A178 VanDerWaalsContact OH-O 3.13Å; R120-A178 CarbonylContact O-C 3.22Å; R120-A178 PolarHBondContact O-N 3.2Å; L149-A178 HydrophobicContact CD2-CB 3.48Å; L149-A178 VanDerWaalsContact CD2-CB 3.48Å; F176-A178 PolarHBondContact O-N 3.32Å; F176-A178 VanDerWaalsContact O-N 3.11Å; A178-L183 HydrophobicContact CB-CD2 3.8Å
179P89.4Confident88.9Confident65 Ų6540.9 Ų40.942%0.42222%0.224SC..  trans-57142.9172.1-23.733.6000111.5Y115 D181 S182Y115-P179 WeakPolarHBondContact OH-CA 3.25Å; P179-D181 VanDerWaalsContact C-N 3.26Å; P179-D181 PolarHBondContact O-N 2.95Å; P179-S182 WeakPolarHBondContact O-CA 3.32Å; P179-S182 WeakPolarHBondContact O-CB 3.42Å; P179-S182 PolarHBondContact O-N 2.85Å; P179-S182 PolarHBondContact O-OG 3.02Å
180V88.2Confident88.8Confident36 Ų3634.9 Ų34.922%0.21820%0.196CC..G310 helixtrans-51.9-43.7-176.565.20000112.3Y115 Y117 S182 L183 L213Y115-V180 HydrophobicContact CD1-CB 4.32Å; Y115-V180 HydrophobicContact CD1-CG2 4.47Å; Y115-V180 HydrophobicContact CE1-CB 3.75Å; Y115-V180 HydrophobicContact CE1-CG2 4.38Å; Y115-V180 HydrophobicContact CE2-CB 4.23Å; Y115-V180 PolarHBondContact OH-N 2.73Å; Y117-V180 HydrophobicContact CE1-CG2 4.17Å; V180-S182 PolarHBondContact O-N 3.22Å; V180-S182 VanDerWaalsContact O-N 3.15Å; V180-L183 VanDerWaalsContact O-CB 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.31Å; V180-L183 PolarHBondContact O-N 3.41Å; V180-L213 HydrophobicContact CG2-CD1 4.44Å; V180-L213 HydrophobicContact CG2-CD2 4.14Å
181D84.1Confident88.5Confident138 Ų13834.5 Ų34.574%0.73820%0.195SC*.G310 helixtrans-61.6-27.9-179.4-57.2-33.3000112.6P179 T184P179-D181 VanDerWaalsContact C-N 3.26Å; P179-D181 PolarHBondContact O-N 2.95Å; D181-T184 PolarHBondContact O-OG1 2.89Å; D181-T184 VanDerWaalsContact O-OG1 3.1Å
182S83.7Confident88.4Confident24 Ų2430.5 Ų30.517%0.16817%0.174CC..G310 helixtrans-76-23.7178.378.80000113P179 V180 T184 S185 R186P179-S182 WeakPolarHBondContact O-CA 3.32Å; P179-S182 WeakPolarHBondContact O-CB 3.42Å; P179-S182 PolarHBondContact O-N 2.85Å; P179-S182 PolarHBondContact O-OG 3.02Å; V180-S182 PolarHBondContact O-N 3.22Å; V180-S182 VanDerWaalsContact O-N 3.15Å; S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.83Å; S182-S185 CarbonylContact O-C 3.59Å; S182-S185 WeakPolarHBondContact O-CA 3.09Å; S182-S185 PolarHBondContact O-N 3.19Å; S182-S185 PolarHBondContact O-OG 3.16Å; S182-R186 WeakPolarHBondContact O-CG 3.4Å
183L85.2Confident88.3Confident0 Ų030.8 Ų30.80%017%0.174CC..G310 helixtrans-64.2-27.5-172.8-64.4-178.3000113.7Y115 L122 L149 A178 V180 S185 R186 L212 L213 L218Y115-L183 HydrophobicContact CD2-CD1 3.58Å; Y115-L183 HydrophobicContact CE2-CD1 3.83Å; Y115-L183 HydrophobicContact CG-CD1 4.48Å; L122-L183 HydrophobicContact CB-CD2 4.27Å; L122-L183 HydrophobicContact CD1-CD1 4.33Å; L122-L183 HydrophobicContact CD2-CD2 4.38Å; L149-L183 HydrophobicContact CD2-CD2 4.3Å; A178-L183 HydrophobicContact CB-CD2 3.8Å; V180-L183 VanDerWaalsContact O-CB 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.31Å; V180-L183 PolarHBondContact O-N 3.41Å; L183-S185 PolarHBondContact O-N 2.82Å; L183-S185 VanDerWaalsContact O-N 3.13Å; L183-R186 HydrophobicContact CD2-CB 4.47Å; L183-R186 HydrophobicContact CD2-CG 4.19Å; L183-R186 PolarHBondContact O-N 2.88Å; L183-L212 HydrophobicContact CD2-CD1 4.41Å; L183-L213 HydrophobicContact CB-CD1 4.22Å; L183-L213 HydrophobicContact CB-CD2 4.36Å; L183-L213 HydrophobicContact CB-CG 4.02Å; L183-L213 HydrophobicContact CD1-CD2 4.17Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å
184T76.8Confident88.2Confident79 Ų7930.5 Ų30.549%0.48517%0.172SC..G310 helixtrans-54.2-30.1170.255.40000112.1D181 S182 L213D181-T184 PolarHBondContact O-OG1 2.89Å; D181-T184 VanDerWaalsContact O-OG1 3.1Å; S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.83Å; T184-L213 HydrophobicContact CG2-CD1 3.63Å
185S71.4Confident88.1Confident45 Ų4533.9 Ų33.932%0.31519%0.185SC..G310 helixtrans-108.426.1178.179.40000112S182 L183 R259S182-S185 CarbonylContact O-C 3.59Å; S182-S185 WeakPolarHBondContact O-CA 3.09Å; S182-S185 PolarHBondContact O-N 3.19Å; S182-S185 PolarHBondContact O-OG 3.16Å; L183-S185 PolarHBondContact O-N 2.82Å; L183-S185 VanDerWaalsContact O-N 3.13Å; S185-R259 PolarHBondContact O-NH1 2.9Å; S185-R259 PolarHBondContact O-NH2 3.26Å
186R79.4Confident87.8Confident34 Ų3434.6 Ų34.613%0.12819%0.187CC..  trans-115.9157.7172.3-59.6-64.9-175.6-1755.2111.7L149 L150 P151 E152 S182 L183 L212L149-R186 HydrophobicContact CD1-CB 3.67Å; L149-R186 HydrophobicContact CD1-CG 4.27Å; L149-R186 HydrophobicContact CD2-CB 4.48Å; L149-R186 HydrophobicContact CD2-CG 4.19Å; L149-R186 HydrophobicContact CG-CB 4Å; L149-R186 HydrophobicContact CG-CG 4.11Å; L150-R186 VanDerWaalsContact O-CA 3.26Å; L150-R186 WeakPolarHBondContact O-CA 3.4Å; L150-R186 WeakPolarHBondContact O-CD 3.28Å; P151-R186 VanDerWaalsContact CD-NH1 3.29Å; E152-R186 VanDerWaalsContact CD-CZ 3.42Å; E152-R186 VanDerWaalsContact CD-NH2 3.3Å; E152-R186 IonicContact OE1-CZ 3.51Å; E152-R186 IonicContact OE1-NH1 3.4Å; E152-R186 PolarHBondContact OE1-NH1 2.8Å; E152-R186 IonicContact OE1-NH2 3.51Å; E152-R186 PolarHBondContact OE1-NH2 2.89Å; E152-R186 IonicContact OE2-CZ 3.03Å; E152-R186 IonicContact OE2-NE 3.67Å; E152-R186 IonicContact OE2-NH1 2.66Å; E152-R186 PolarHBondContact OE2-NH1 2.96Å; E152-R186 IonicContact OE2-NH2 3.21Å; E152-R186 PolarHBondContact OE2-NH2 3.38Å; E152-R186 VanDerWaalsContact OE2-NH2 3.07Å; S182-R186 WeakPolarHBondContact O-CG 3.4Å; L183-R186 HydrophobicContact CD2-CB 4.47Å; L183-R186 HydrophobicContact CD2-CG 4.19Å; L183-R186 PolarHBondContact O-N 2.88Å; R186-L212 HydrophobicContact CB-CD1 4.24Å
187M83.1Confident87.5Confident2 Ų244.7 Ų44.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-131.4133168.3-59.4-176.9-71.700108.8L150 I208 M209 R210 Y261 W381L150-M187 HydrophobicContact CB-CB 4.25Å; L150-M187 WeakPolarHBondContact CB-O 3.48Å; L150-M187 HydrophobicContact CD1-CB 4.28Å; L150-M187 HydrophobicContact CD1-CE 4.46Å; L150-M187 PolarHBondContact N-O 2.88Å; L150-M187 PolarHBondContact O-N 2.84Å; L150-M187 VanDerWaalsContact O-N 3.16Å; M187-I208 HydrophobicContact CB-CG2 4.21Å; M187-I208 HydrophobicContact SD-CG2 4.22Å; M187-M209 CarbonylContact C-O 3.28Å; M187-M209 WeakPolarHBondContact CA-O 3.34Å; M187-R210 HydrophobicContact CG-CB 4.43Å; M187-R210 HydrophobicContact CG-CG 4.15Å; M187-R210 HydrophobicContact SD-CG 3.84Å; M187-Y261 HydrophobicContact CE-CD1 3.47Å; M187-Y261 VanDerWaalsContact CE-CD1 3.47Å; M187-Y261 HydrophobicContact CE-CD2 3.62Å; M187-Y261 HydrophobicContact CE-CE1 4.14Å; M187-Y261 HydrophobicContact CE-CE2 4.27Å; M187-Y261 HydrophobicContact CE-CG 3.22Å; M187-W381 HydrophobicContact CE-CH2 3.75Å; M187-W381 HydrophobicContact CE-CZ2 3.92Å; M187-W381 HydrophobicContact CE-CZ3 4.3Å; M187-W381 HydrophobicContact CG-CZ2 4.12Å; M187-W381 HydrophobicContact SD-CD2 4.1Å; M187-W381 HydrophobicContact SD-CE3 4.37Å; M187-W381 HydrophobicContact SD-CH2 3.9Å; M187-W381 HydrophobicContact SD-CZ2 3.58Å; M187-W381 VanDerWaalsContact SD-CZ2 3.58Å; M187-W381 HydrophobicContact SD-CZ3 4.29Å
188L90.1Very high87Confident1 Ų146.4 Ų46.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-88.2117.4174.2178.768.1000108.6F111 L113 M124 Y148 F176 I208 M209 L212F111-L188 HydrophobicContact CD2-CD2 4.21Å; F111-L188 HydrophobicContact CE2-CD2 3.76Å; F111-L188 HydrophobicContact CZ-CD2 4.27Å; L113-L188 HydrophobicContact CD1-CD2 4.24Å; L113-L188 HydrophobicContact CD2-CD2 3.62Å; L113-L188 HydrophobicContact CG-CD2 4.5Å; M124-L188 HydrophobicContact CG-CD2 4.32Å; M124-L188 HydrophobicContact SD-CD1 4.06Å; M124-L188 HydrophobicContact SD-CD2 3.9Å; M124-L188 HydrophobicContact SD-CG 4.43Å; Y148-L188 WeakPolarHBondContact O-CA 3.2Å; F176-L188 HydrophobicContact CD2-CD1 4.44Å; F176-L188 HydrophobicContact CE2-CD1 3.71Å; F176-L188 HydrophobicContact CZ-CD1 4.01Å; L188-I208 CarbonylContact O-C 3.59Å; L188-I208 WeakPolarHBondContact O-CA 3.37Å; L188-M209 HydrophobicContact CB-CB 4.31Å; L188-M209 PolarHBondContact N-O 2.9Å; L188-M209 PolarHBondContact O-N 2.86Å; L188-L212 HydrophobicContact CB-CD2 4.14Å
189Q88.6Confident86.8Confident15 Ų1553.5 Ų53.57%0.0726%0.262CS..EExtended strand (participates in β ladder)trans-108.8124.9175.6174.3176.739.900110A147 Y148 L150 V207 I208A147-Q189 CarbonylContact C-O 3.51Å; A147-Q189 VanDerWaalsContact CA-O 3.26Å; A147-Q189 WeakPolarHBondContact CA-O 3.31Å; Y148-Q189 PolarHBondContact N-O 3.19Å; Y148-Q189 PolarHBondContact O-N 2.76Å; L150-Q189 HydrophobicContact CD1-CB 3.53Å; L150-Q189 HydrophobicContact CD1-CG 4.42Å; L150-Q189 HydrophobicContact CG-CB 4.08Å; Q189-V207 CarbonylContact C-O 3.46Å; Q189-V207 VanDerWaalsContact CA-O 3.31Å; Q189-V207 WeakPolarHBondContact CA-O 3.35Å; Q189-I208 HydrophobicContact CB-CG1 4.26Å; Q189-I208 HydrophobicContact CG-CG1 4.06Å
190C93.3Very high86.4Confident1 Ų160.3 Ų60.31%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-110.3116170.4-60.10000109I109 M124 V145 K146 N206 V207I109-C190 HydrophobicContact CD1-CB 4.05Å; M124-C190 WeakPolarHBondContact CE-SG 3.49Å; V145-C190 HydrophobicContact CG1-CB 3.87Å; K146-C190 CarbonylContact O-C 3.58Å; K146-C190 WeakPolarHBondContact O-CA 3.12Å; C190-N206 CarbonylContact O-C 3.56Å; C190-N206 WeakPolarHBondContact O-CA 3.17Å; C190-V207 HydrophobicContact CB-CB 4.3Å; C190-V207 PolarHBondContact N-O 3.28Å; C190-V207 PolarHBondContact O-N 3.2Å
191T91.8Very high86.4Confident6 Ų661 Ų614%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-101.7122.4173.4-55.80000109.2V145 K146 Y193 I203 N206V145-T191 CarbonylContact C-O 3.56Å; V145-T191 WeakPolarHBondContact CA-O 3.27Å; K146-T191 PolarHBondContact N-O 3.44Å; K146-T191 PolarHBondContact O-N 3.35Å; T191-Y193 HydrophobicContact CG2-CD2 3.83Å; T191-Y193 HydrophobicContact CG2-CE1 4.42Å; T191-Y193 HydrophobicContact CG2-CE2 3.26Å; T191-Y193 WeakPolarHBondContact O-CD2 3.25Å; T191-I203 HydrophobicContact CG2-CG1 4.36Å; T191-I203 HydrophobicContact CG2-CG2 3.84Å; T191-N206 VanDerWaalsContact CB-OD1 3.26Å; T191-N206 WeakPolarHBondContact CB-OD1 3.4Å; T191-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T191-N206 PolarHBondContact OG1-OD1 2.9Å
192V95.2Very high86.5Confident0 Ų057.1 Ų57.10%026%0.26CS..EExtended strand (participates in β ladder)trans-91.6125.1176.5-169.40000108.6I109 V132 P143 V145 I204 G205 I228I109-V192 HydrophobicContact CD1-CG2 4.32Å; V132-V192 HydrophobicContact CG1-CG1 4.28Å; P143-V192 HydrophobicContact CB-CG1 4.43Å; V145-V192 HydrophobicContact CG2-CG2 4.31Å; V192-I204 HydrophobicContact CB-CB 4.31Å; V192-I204 HydrophobicContact CG1-CB 4.28Å; V192-I204 HydrophobicContact CG1-CD1 4.14Å; V192-I204 WeakPolarHBondContact O-CB 3.34Å; V192-I204 PolarHBondContact O-N 3.41Å; V192-G205 PolarHBondContact N-O 2.9Å; V192-G205 PolarHBondContact O-N 3.07Å; V192-I228 HydrophobicContact CB-CG2 4.45Å; V192-I228 HydrophobicContact CG2-CD1 3.89Å; V192-I228 HydrophobicContact CG2-CG1 4.07Å; V192-I228 HydrophobicContact CG2-CG2 4.16Å
193Y94Very high86.8Confident38 Ų3858 Ų5815%0.14926%0.262CS..EExtended strand (participates in β ladder)trans-115.2150.1-179.7-73.1-94.3000111.1P143 Y144 K146 T191 H201 D202 I203P143-Y193 VanDerWaalsContact CA-O 3.23Å; P143-Y193 WeakPolarHBondContact CA-O 3.16Å; Y144-Y193 HydrophobicContact CD2-CD2 4.49Å; Y144-Y193 HydrophobicContact CE1-CG 4.04Å; Y144-Y193 AromaticContact CE2-CD2 3.77Å; Y144-Y193 HydrophobicContact CE2-CD2 3.77Å; Y144-Y193 AromaticContact CE2-CG 3.95Å; Y144-Y193 HydrophobicContact CE2-CG 3.95Å; Y144-Y193 AromaticContact CZ-CD2 3.84Å; Y144-Y193 AromaticContact CZ-CG 3.51Å; Y144-Y193 PolarHBondContact N-O 2.66Å; Y144-Y193 PolarHBondContact O-N 3.4Å; Y144-Y193 WeakPolarHBondContact OH-CB 3.37Å; Y144-Y193 WeakPolarHBondContact OH-CD1 3.21Å; Y144-Y193 VanDerWaalsContact OH-CG 3.27Å; K146-Y193 HydrophobicContact CB-CE2 4.01Å; K146-Y193 HydrophobicContact CD-CE2 3.8Å; K146-Y193 HydrophobicContact CG-CD2 4.12Å; K146-Y193 HydrophobicContact CG-CE2 3.76Å; T191-Y193 HydrophobicContact CG2-CD2 3.83Å; T191-Y193 HydrophobicContact CG2-CE1 4.42Å; T191-Y193 HydrophobicContact CG2-CE2 3.26Å; T191-Y193 WeakPolarHBondContact O-CD2 3.25Å; Y193-H201 HydrophobicContact CD1-CB 4.22Å; Y193-D202 CarbonylContact C-O 3.6Å; Y193-D202 VanDerWaalsContact CA-O 3.24Å; Y193-D202 WeakPolarHBondContact CA-O 3.5Å; Y193-I203 HydrophobicContact CD1-CG1 3.84Å; Y193-I203 HydrophobicContact CE1-CD1 4.14Å; Y193-I203 HydrophobicContact CE1-CG1 3.41Å; Y193-I203 VanDerWaalsContact CE1-CG1 3.41Å
194D94.3Very high87.1Confident1 Ų158 Ų581%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-98.9110.2165.6-167.6-16.1000109.6R139 P141 N142 E196 H201 D202 I204R139-D194 IonicContact CZ-OD1 3.33Å; R139-D194 IonicContact CZ-OD2 3.11Å; R139-D194 VanDerWaalsContact NH1-CG 3.28Å; R139-D194 IonicContact NH1-OD1 3.57Å; R139-D194 PolarHBondContact NH1-OD1 2.65Å; R139-D194 IonicContact NH1-OD2 3.89Å; R139-D194 PolarHBondContact NH1-OD2 2.84Å; R139-D194 IonicContact NH2-OD1 3.42Å; R139-D194 PolarHBondContact NH2-OD1 2.82Å; R139-D194 IonicContact NH2-OD2 3.16Å; R139-D194 PolarHBondContact NH2-OD2 3.42Å; P141-D194 WeakPolarHBondContact CA-OD2 3.25Å; P141-D194 HydrophobicContact CB-CB 4.45Å; P141-D194 WeakPolarHBondContact CB-OD2 3.37Å; N142-D194 PolarHBondContact N-OD1 2.78Å; D194-E196 PolarHBondContact O-N 3.46Å; D194-H201 WeakPolarHBondContact O-CA 3.17Å; D194-H201 WeakPolarHBondContact O-CB 3.11Å; D194-D202 HydrophobicContact CB-CB 4.3Å; D194-D202 PolarHBondContact N-O 3.39Å; D194-D202 PolarHBondContact O-N 3.37Å; D194-I204 HydrophobicContact CB-CD1 3.94Å; D194-I204 HydrophobicContact CB-CG1 3.97Å
195Y93.6Very high87.7Confident71 Ų7154.2 Ų54.228%0.27824%0.239SC..  trans-68.3124.7179.7175.7-96.3000111.9N142 I161 R197 H201N142-Y195 PolarHBondContact ND2-O 2.61Å; N142-Y195 WeakPolarHBondContact O-CB 3.27Å; N142-Y195 PolarHBondContact O-N 3.2Å; I161-Y195 HydrophobicContact CD1-CD1 4.14Å; I161-Y195 HydrophobicContact CD1-CD2 3.51Å; I161-Y195 HydrophobicContact CD1-CE1 4.44Å; I161-Y195 HydrophobicContact CD1-CE2 3.88Å; I161-Y195 HydrophobicContact CD1-CG 3.67Å; I161-Y195 HydrophobicContact CG1-CD2 4.4Å; I161-Y195 HydrophobicContact CG1-CG 4.3Å; I161-Y195 HydrophobicContact CG2-CD1 4.19Å; I161-Y195 HydrophobicContact CG2-CG 4.06Å; Y195-R197 HydrophobicContact CE1-CB 4.32Å; Y195-H201 AromaticContact CD2-CD2 3.88Å; Y195-H201 AromaticContact CD2-CE1 3.34Å; Y195-H201 WeakPolarHBondContact CD2-CE1 3.3Å; Y195-H201 AromaticContact CD2-ND1 3.92Å; Y195-H201 AromaticContact CD2-NE2 3.27Å; Y195-H201 VanDerWaalsContact CD2-NE2 3.27Å; Y195-H201 WeakPolarHBondContact CD2-NE2 3.42Å; Y195-H201 AromaticContact CE2-CE1 3.64Å; Y195-H201 AromaticContact CE2-NE2 3.33Å; Y195-H201 VanDerWaalsContact CE2-NE2 3.33Å; Y195-H201 WeakPolarHBondContact CE2-NE2 3.36Å
196E88.5Confident88.5Confident32 Ų3252.8 Ų52.815%0.1523%0.228CC..  trans-117.8133.3168.9-67.6-153.2178.800110.7R139 D194 K199 H201R139-E196 IonicContact CZ-OE1 3.1Å; R139-E196 IonicContact NE-OE1 3.27Å; R139-E196 IonicContact NH2-OE1 2.9Å; R139-E196 PolarHBondContact NH2-OE1 2.76Å; D194-E196 PolarHBondContact O-N 3.46Å; E196-K199 HydrophobicContact CB-CB 4.35Å; E196-K199 WeakPolarHBondContact OE2-CB 3.42Å; E196-K199 WeakPolarHBondContact OE2-CD 2.97Å; E196-H201 PolarHBondContact N-CD2 3.12Å; E196-H201 PolarHBondContact O-CD2 2.61Å; E196-H201 PolarHBondContact O-NE2 3.38Å
197R86.5Confident88.9Confident221 Ų22151.3 Ų51.383%0.83422%0.222SC*.SBendtrans-70.1-33.4-177.5179.7175.5175.8145.41.2113.3Y195Y195-R197 HydrophobicContact CE1-CB 4.32Å
198I82.3Confident89Confident164 Ų16452 Ų5284%0.84123%0.226SC*.SBendtrans-109-39.6-168.6-58.4175.2000111.1
199K82.3Confident88.8Confident150 Ų15052.1 Ų52.165%0.65223%0.227SC*.SBendtrans-97.8169.7-179.8-53.8-175.3-170.7162.60110.7E196 H201E196-K199 HydrophobicContact CB-CB 4.35Å; E196-K199 WeakPolarHBondContact OE2-CB 3.42Å; E196-K199 WeakPolarHBondContact OE2-CD 2.97Å; K199-H201 PolarHBondContact O-N 2.73Å
200R81.2Confident88.3Confident208 Ų20851.7 Ų51.779%0.78522%0.224SC*.PPolyproline II helixtrans-55.4137.8166.2-175.7179.2179.4159.96.2109.3
201H88.1Confident87.4Confident50 Ų5052.9 Ų52.923%0.23123%0.231CC..PPolyproline II helixtrans-66.8136.6176.5-50.3165.3000109.8Y144 Y193 D194 Y195 E196 K199Y144-H201 HydrophobicContact CE1-CB 4.41Å; Y144-H201 AromaticContact CE1-ND1 3.45Å; Y144-H201 WeakPolarHBondContact CE1-ND1 3.28Å; Y144-H201 AromaticContact CZ-ND1 3.51Å; Y144-H201 PolarHBondContact OH-ND1 3.26Å; Y193-H201 HydrophobicContact CD1-CB 4.22Å; D194-H201 WeakPolarHBondContact O-CA 3.17Å; D194-H201 WeakPolarHBondContact O-CB 3.11Å; Y195-H201 AromaticContact CD2-CD2 3.88Å; Y195-H201 AromaticContact CD2-CE1 3.34Å; Y195-H201 WeakPolarHBondContact CD2-CE1 3.3Å; Y195-H201 AromaticContact CD2-ND1 3.92Å; Y195-H201 AromaticContact CD2-NE2 3.27Å; Y195-H201 VanDerWaalsContact CD2-NE2 3.27Å; Y195-H201 WeakPolarHBondContact CD2-NE2 3.42Å; Y195-H201 AromaticContact CE2-CE1 3.64Å; Y195-H201 AromaticContact CE2-NE2 3.33Å; Y195-H201 VanDerWaalsContact CE2-NE2 3.33Å; Y195-H201 WeakPolarHBondContact CE2-NE2 3.36Å; E196-H201 PolarHBondContact N-CD2 3.12Å; E196-H201 PolarHBondContact O-CD2 2.61Å; E196-H201 PolarHBondContact O-NE2 3.38Å; K199-H201 PolarHBondContact O-N 2.73Å
202D87.3Confident86.9Confident57 Ų5752.6 Ų52.631%0.30523%0.229SC..EExtended strand (participates in β ladder)trans-80.1143177.6-70.7-33.1000110.2Y193 D194Y193-D202 CarbonylContact C-O 3.6Å; Y193-D202 VanDerWaalsContact CA-O 3.24Å; Y193-D202 WeakPolarHBondContact CA-O 3.5Å; D194-D202 HydrophobicContact CB-CB 4.3Å; D194-D202 PolarHBondContact N-O 3.39Å; D194-D202 PolarHBondContact O-N 3.37Å
203I89.5Confident85.9Confident43 Ų4355.3 Ų55.322%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-83.7122.3167.8-63.9169.1000106.6N135 T191 Y193 N231N135-I203 PolarHBondContact ND2-O 2.84Å; T191-I203 HydrophobicContact CG2-CG1 4.36Å; T191-I203 HydrophobicContact CG2-CG2 3.84Å; Y193-I203 HydrophobicContact CD1-CG1 3.84Å; Y193-I203 HydrophobicContact CE1-CD1 4.14Å; Y193-I203 HydrophobicContact CE1-CG1 3.41Å; Y193-I203 VanDerWaalsContact CE1-CG1 3.41Å; I203-N231 HydrophobicContact CG2-CB 3.76Å
204I91.7Very high84.8Confident0 Ų060.4 Ų60.40%027%0.269CS..EExtended strand (participates in β ladder)trans-79.5-44172.7-59.6-177.4000109.3R106 V132 Q133 P141 V192 D194R106-I204 HydrophobicContact CB-CG2 3.89Å; V132-I204 HydrophobicContact CG1-CD1 3.4Å; V132-I204 HydrophobicContact CG1-CG2 3.98Å; Q133-I204 WeakPolarHBondContact O-CG2 3.49Å; P141-I204 HydrophobicContact CB-CD1 4.05Å; V192-I204 HydrophobicContact CB-CB 4.31Å; V192-I204 HydrophobicContact CG1-CB 4.28Å; V192-I204 HydrophobicContact CG1-CD1 4.14Å; V192-I204 WeakPolarHBondContact O-CB 3.34Å; V192-I204 PolarHBondContact O-N 3.41Å; D194-I204 HydrophobicContact CB-CD1 3.94Å; D194-I204 HydrophobicContact CB-CG1 3.97Å
205G90Very high83.5Confident0 Ų062.2 Ų62.20%028%0.276CS..EExtended strand (participates in β ladder)trans171.1-174.6176.500000113V192 V229V192-G205 PolarHBondContact N-O 2.9Å; V192-G205 PolarHBondContact O-N 3.07Å; G205-V229 CarbonylContact C-O 3.54Å; G205-V229 WeakPolarHBondContact CA-O 3.3Å
206N87.7Confident82.6Confident15 Ų1559.3 Ų59.38%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-127156.1-179.2-61.2-64000111.8C190 T191 V229 N231C190-N206 CarbonylContact O-C 3.56Å; C190-N206 WeakPolarHBondContact O-CA 3.17Å; T191-N206 VanDerWaalsContact CB-OD1 3.26Å; T191-N206 WeakPolarHBondContact CB-OD1 3.4Å; T191-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T191-N206 PolarHBondContact OG1-OD1 2.9Å; N206-V229 PolarHBondContact N-O 3.47Å; N206-V229 PolarHBondContact O-N 3.49Å; N206-N231 VanDerWaalsContact ND2-CB 3.3Å; N206-N231 WeakPolarHBondContact ND2-CB 3.19Å; N206-N231 PolarHBondContact ND2-ND2 2.79Å
207V88.6Confident82.2Confident2 Ų262.5 Ų62.51%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-126.7130.1164.1170.90000107.5I109 F111 Q189 C190 M226 Q227 I228I109-V207 HydrophobicContact CG2-CB 3.95Å; I109-V207 HydrophobicContact CG2-CG1 4.05Å; I109-V207 HydrophobicContact CG2-CG2 3.4Å; I109-V207 VanDerWaalsContact CG2-CG2 3.4Å; F111-V207 HydrophobicContact CE1-CG1 4.24Å; Q189-V207 CarbonylContact C-O 3.46Å; Q189-V207 VanDerWaalsContact CA-O 3.31Å; Q189-V207 WeakPolarHBondContact CA-O 3.35Å; C190-V207 HydrophobicContact CB-CB 4.3Å; C190-V207 PolarHBondContact N-O 3.28Å; C190-V207 PolarHBondContact O-N 3.2Å; V207-M226 HydrophobicContact CB-CB 4.46Å; V207-M226 HydrophobicContact CG1-CB 3.4Å; V207-M226 VanDerWaalsContact CG1-CB 3.4Å; V207-M226 HydrophobicContact CG1-CE 3.47Å; V207-M226 VanDerWaalsContact CG1-CE 3.47Å; V207-M226 HydrophobicContact CG1-CG 3.89Å; V207-M226 HydrophobicContact CG1-SD 3.31Å; V207-M226 WeakPolarHBondContact CG1-SD 3.3Å; V207-M226 HydrophobicContact CG2-CB 4.24Å; V207-Q227 WeakPolarHBondContact CG2-O 3.47Å; V207-I228 HydrophobicContact CG2-CB 4.48Å; V207-I228 HydrophobicContact CG2-CG1 4.13Å
208I85Confident82.2Confident18 Ų1852 Ų529%0.09225%0.245CC..EExtended strand (participates in β ladder)trans-123.5110.9177.3-59.2177.9000108.6M187 L188 Q189 R210 M226M187-I208 HydrophobicContact CB-CG2 4.21Å; M187-I208 HydrophobicContact SD-CG2 4.22Å; L188-I208 CarbonylContact O-C 3.59Å; L188-I208 WeakPolarHBondContact O-CA 3.37Å; Q189-I208 HydrophobicContact CB-CG1 4.26Å; Q189-I208 HydrophobicContact CG-CG1 4.06Å; I208-R210 HydrophobicContact CG2-CG 4.25Å; I208-M226 WeakPolarHBondContact O-CE 3.46Å
209M85.1Confident82.4Confident2 Ų249 Ų491%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-96.2122.8173.2-168.1-179.4179.100110.3F111 L113 M187 L188 L212 K215 F224 M226F111-M209 HydrophobicContact CE2-SD 3.65Å; F111-M209 HydrophobicContact CZ-CB 4.2Å; F111-M209 HydrophobicContact CZ-SD 3.72Å; L113-M209 HydrophobicContact CD1-CE 4.06Å; L113-M209 HydrophobicContact CD1-SD 3.56Å; L113-M209 VanDerWaalsContact CD1-SD 3.56Å; M187-M209 CarbonylContact C-O 3.28Å; M187-M209 WeakPolarHBondContact CA-O 3.34Å; L188-M209 HydrophobicContact CB-CB 4.31Å; L188-M209 PolarHBondContact N-O 2.9Å; L188-M209 PolarHBondContact O-N 2.86Å; M209-L212 HydrophobicContact CB-CD2 4.32Å; M209-L212 HydrophobicContact CE-CD2 4.42Å; M209-L212 HydrophobicContact CG-CD2 3.95Å; M209-L212 HydrophobicContact SD-CD2 3.96Å; M209-K215 HydrophobicContact CE-CB 3.89Å; M209-K215 HydrophobicContact CE-CD 3.54Å; M209-K215 HydrophobicContact CE-CG 4.36Å; M209-K215 HydrophobicContact CG-CD 4.34Å; M209-F224 HydrophobicContact CE-CD1 3.52Å; M209-F224 HydrophobicContact CE-CD2 3.89Å; M209-F224 HydrophobicContact CE-CE1 3.26Å; M209-F224 HydrophobicContact CE-CE2 3.68Å; M209-F224 HydrophobicContact CE-CG 3.82Å; M209-F224 HydrophobicContact CE-CZ 3.37Å; M209-F224 HydrophobicContact SD-CD1 4.38Å; M209-F224 HydrophobicContact SD-CD2 4.09Å; M209-F224 HydrophobicContact SD-CE2 4.31Å; M209-F224 HydrophobicContact SD-CG 4.14Å; M209-M226 HydrophobicContact CB-CE 4.08Å; M209-M226 HydrophobicContact CB-SD 3.81Å; M209-M226 HydrophobicContact CG-SD 4.13Å
210R78.7Confident82.7Confident6 Ų645.3 Ų45.32%0.02323%0.227CC..  trans-105.5169.6178.6-48175.8-130.5-95.710.9110.9M187 I208 L212 K215 D239 W381 S383M187-R210 HydrophobicContact CG-CB 4.43Å; M187-R210 HydrophobicContact CG-CG 4.15Å; M187-R210 HydrophobicContact SD-CG 3.84Å; I208-R210 HydrophobicContact CG2-CG 4.25Å; R210-L212 PolarHBondContact O-N 2.82Å; R210-K215 VanDerWaalsContact O-CD 3.28Å; R210-K215 WeakPolarHBondContact O-CD 3.39Å; R210-K215 WeakPolarHBondContact O-CE 3.3Å; R210-K215 PolarHBondContact O-NZ 3.48Å; R210-D239 IonicContact CZ-OD1 3.07Å; R210-D239 IonicContact CZ-OD2 2.65Å; R210-D239 IonicContact NH1-OD1 3.74Å; R210-D239 PolarHBondContact NH1-OD1 2.69Å; R210-D239 IonicContact NH1-OD2 2.86Å; R210-D239 PolarHBondContact NH1-OD2 3.11Å; R210-D239 IonicContact NH2-OD1 2.99Å; R210-D239 PolarHBondContact NH2-OD1 3.2Å; R210-W381 HydrophobicContact CB-CG 4.32Å; R210-W381 HydrophobicContact CG-CG 4.24Å; R210-S383 PolarHBondContact NH2-OG 3.03Å; R210-S383 VanDerWaalsContact NH2-OG 3.12Å
211D74.4Confident83.2Confident27 Ų2740.1 Ų40.114%0.14421%0.207CC..  trans53.249.7168.3-45.7-46.4000112.8L213 E214 K215D211-L213 PolarHBondContact O-N 2.78Å; D211-L213 VanDerWaalsContact O-N 3.12Å; D211-E214 HydrophobicContact CB-CB 4.04Å; D211-E214 PolarHBondContact O-N 3.27Å; D211-K215 PolarHBondContact O-N 2.99Å; D211-K215 VanDerWaalsContact O-N 3.12Å
212L80.1Confident83.3Confident0 Ų039 Ų390%020%0.204CC..THydrogen-bonded Turntrans-56.1-34.1-168.9-60.5175.8000113.5L113 L122 L149 L183 R186 L188 M209 R210L113-L212 HydrophobicContact CD1-CD2 3.91Å; L122-L212 HydrophobicContact CD2-CD1 3.8Å; L149-L212 HydrophobicContact CD1-CD1 3.96Å; L183-L212 HydrophobicContact CD2-CD1 4.41Å; R186-L212 HydrophobicContact CB-CD1 4.24Å; L188-L212 HydrophobicContact CB-CD2 4.14Å; M209-L212 HydrophobicContact CB-CD2 4.32Å; M209-L212 HydrophobicContact CE-CD2 4.42Å; M209-L212 HydrophobicContact CG-CD2 3.95Å; M209-L212 HydrophobicContact SD-CD2 3.96Å; R210-L212 PolarHBondContact O-N 2.82Å
213L75.3Confident83.6Confident56 Ų5640.3 Ų40.329%0.29321%0.208SC..THydrogen-bonded Turntrans-85.3-20.2178.4-65.2-178.1000114.1V180 L183 T184 D211 S216 L218V180-L213 HydrophobicContact CG2-CD1 4.44Å; V180-L213 HydrophobicContact CG2-CD2 4.14Å; L183-L213 HydrophobicContact CB-CD1 4.22Å; L183-L213 HydrophobicContact CB-CD2 4.36Å; L183-L213 HydrophobicContact CB-CG 4.02Å; L183-L213 HydrophobicContact CD1-CD2 4.17Å; T184-L213 HydrophobicContact CG2-CD1 3.63Å; D211-L213 PolarHBondContact O-N 2.78Å; D211-L213 VanDerWaalsContact O-N 3.12Å; L213-S216 CarbonylContact C-O 3.52Å; L213-S216 VanDerWaalsContact O-O 3.14Å; L213-L218 HydrophobicContact CD2-CD1 3.61Å; L213-L218 HydrophobicContact CD2-CG 4.37Å
214E70Confident83.6Confident146 Ų14638.4 Ų38.468%0.68220%0.199SC*.THydrogen-bonded Turntrans-81-33.7176.8-168.8175.4-178.600110.5D211D211-E214 HydrophobicContact CB-CB 4.04Å; D211-E214 PolarHBondContact O-N 3.27Å
215K67.1Low83.7Confident38 Ų3838.8 Ų38.817%0.16520%0.201CC..SBendtrans-80.1-19.4-178.4-66.6178.5-178.6167.90114Y96 M209 R210 D211 F224Y96-K215 PolarHBondContact OH-NZ 2.7Å; M209-K215 HydrophobicContact CE-CB 3.89Å; M209-K215 HydrophobicContact CE-CD 3.54Å; M209-K215 HydrophobicContact CE-CG 4.36Å; M209-K215 HydrophobicContact CG-CD 4.34Å; R210-K215 VanDerWaalsContact O-CD 3.28Å; R210-K215 WeakPolarHBondContact O-CD 3.39Å; R210-K215 WeakPolarHBondContact O-CE 3.3Å; R210-K215 PolarHBondContact O-NZ 3.48Å; D211-K215 PolarHBondContact O-N 2.99Å; D211-K215 VanDerWaalsContact O-N 3.12Å; K215-F224 HydrophobicContact CB-CE1 4.18Å
216S76.1Confident83.6Confident10 Ų1038.9 Ų38.97%0.0720%0.201CC..  trans-159.1143-177.4171.40000110.6L213 L218 T222L213-S216 CarbonylContact C-O 3.52Å; L213-S216 VanDerWaalsContact O-O 3.14Å; S216-L218 PolarHBondContact O-N 2.99Å; S216-L218 PolarHBondContact OG-N 3.31Å; S216-T222 WeakPolarHBondContact OG-CB 3.1Å; S216-T222 PolarHBondContact OG-OG1 3.23Å
217D79.4Confident83.8Confident100 Ų10039.9 Ų39.954%0.53521%0.205SC..  trans-67.3-15.117066.712000112.7Y117 V219Y117-D217 PolarHBondContact OH-O 2.72Å; D217-V219 HydrophobicContact CB-CG2 4Å; D217-V219 PolarHBondContact O-N 3.43Å; D217-V219 PolarHBondContact OD1-N 3.01Å
218L85.4Confident83.9Confident0 Ų039.8 Ų39.80%021%0.205CC..  trans56.216.8-177.9-57.7177.9000113.3L113 Y115 L122 L183 L213 S216L113-L218 HydrophobicContact CB-CD2 3.75Å; Y115-L218 PolarHBondContact N-O 3.36Å; L122-L218 HydrophobicContact CD1-CD1 3.99Å; L122-L218 HydrophobicContact CD1-CD2 4.48Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å; L213-L218 HydrophobicContact CD2-CD1 3.61Å; L213-L218 HydrophobicContact CD2-CG 4.37Å; S216-L218 PolarHBondContact O-N 2.99Å; S216-L218 PolarHBondContact OG-N 3.31Å
219V87.7Confident83.8Confident102 Ų10239.5 Ų39.562%0.61820%0.204SC*.SBendtrans-73.6-38.2177.3176.80000110D217D217-V219 HydrophobicContact CB-CG2 4Å; D217-V219 PolarHBondContact O-N 3.43Å; D217-V219 PolarHBondContact OD1-N 3.01Å
220S87.9Confident83.6Confident71 Ų7141.3 Ų41.350%0.49721%0.214SC..SBendtrans-122.1171174.771.40000110.6T222S220-T222 PolarHBondContact O-N 3.14Å
221W91.7Very high83Confident99 Ų9942.7 Ų42.738%0.37522%0.221SC..  trans-65.3115.9173.1-71.8109.2000110S112 L113 R114 M123 H125 V173S112-W221 WeakPolarHBondContact O-CZ3 3.29Å; S112-W221 VanDerWaalsContact OG-CE3 3.27Å; L113-W221 WeakPolarHBondContact O-CA 3.5Å; R114-W221 HydrophobicContact CB-CD2 4.01Å; R114-W221 HydrophobicContact CB-CE3 3.98Å; R114-W221 HydrophobicContact CB-CG 4.38Å; R114-W221 HydrophobicContact CB-CZ3 4.44Å; R114-W221 HydrophobicContact CG-CD2 3.72Å; R114-W221 HydrophobicContact CG-CE3 3.74Å; R114-W221 HydrophobicContact CG-CG 4.42Å; R114-W221 HydrophobicContact CG-CH2 3.9Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; R114-W221 HydrophobicContact CG-CZ3 3.81Å; R114-W221 VanDerWaalsContact NE-CE2 3.26Å; M123-W221 HydrophobicContact CB-CH2 3.73Å; M123-W221 HydrophobicContact CB-CZ2 4.47Å; M123-W221 HydrophobicContact CB-CZ3 4.13Å; H125-W221 HydrophobicContact CB-CE3 4.11Å; H125-W221 HydrophobicContact CB-CH2 3.75Å; H125-W221 HydrophobicContact CB-CZ2 4.46Å; H125-W221 HydrophobicContact CB-CZ3 3.56Å; V173-W221 HydrophobicContact CG1-CH2 4.08Å; V173-W221 HydrophobicContact CG2-CH2 4.37Å
222T90.7Very high82.2Confident28 Ų2845.3 Ų45.317%0.17224%0.236CC..EExtended strand (participates in β ladder)trans-106.4124.1173.4-550000108.9S112 L113 S216 S220 F224S112-T222 CarbonylContact C-O 3.56Å; S112-T222 WeakPolarHBondContact CA-O 3.37Å; S112-T222 WeakPolarHBondContact CB-O 3.09Å; L113-T222 PolarHBondContact N-O 3Å; L113-T222 PolarHBondContact O-N 2.96Å; S216-T222 WeakPolarHBondContact OG-CB 3.1Å; S216-T222 PolarHBondContact OG-OG1 3.23Å; S220-T222 PolarHBondContact O-N 3.14Å; T222-F224 HydrophobicContact CG2-CE1 4.02Å; T222-F224 HydrophobicContact CG2-CE2 3.91Å; T222-F224 HydrophobicContact CG2-CZ 3.47Å; T222-F224 VanDerWaalsContact CG2-CZ 3.47Å; T222-F224 WeakPolarHBondContact O-CD2 3.49Å; T222-F224 WeakPolarHBondContact O-CE2 3.42Å
223E92.4Very high81.2Confident83 Ų8352.4 Ų52.439%0.38827%0.266SS..EExtended strand (participates in β ladder)trans-89.9138.1-178.8-172.5177.7111.700112.2T110 I127T110-E223 HydrophobicContact CG2-CG 3.6Å; I127-E223 HydrophobicContact CD1-CG 4.13Å; I127-E223 WeakPolarHBondContact CD1-OE2 3.33Å
224F91.3Very high80.4Confident4 Ų457 Ų572%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-128137.6177.3-53.6-85.2000109.4Q94 T110 F111 L113 M209 K215 T222Q94-F224 HydrophobicContact CB-CD1 4.16Å; T110-F224 VanDerWaalsContact CA-O 3.3Å; T110-F224 WeakPolarHBondContact CA-O 3.39Å; F111-F224 HydrophobicContact CD2-CD2 4.36Å; F111-F224 HydrophobicContact CE2-CB 4.21Å; F111-F224 AromaticContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CG 4.41Å; F111-F224 HydrophobicContact CZ-CB 4.17Å; F111-F224 PolarHBondContact N-O 2.84Å; F111-F224 PolarHBondContact O-N 3.03Å; L113-F224 HydrophobicContact CB-CE2 4.02Å; L113-F224 HydrophobicContact CD1-CD2 4.35Å; L113-F224 HydrophobicContact CD1-CE2 3.94Å; L113-F224 HydrophobicContact CG-CD2 4.17Å; L113-F224 HydrophobicContact CG-CE2 3.9Å; M209-F224 HydrophobicContact CE-CD1 3.52Å; M209-F224 HydrophobicContact CE-CD2 3.89Å; M209-F224 HydrophobicContact CE-CE1 3.26Å; M209-F224 HydrophobicContact CE-CE2 3.68Å; M209-F224 HydrophobicContact CE-CG 3.82Å; M209-F224 HydrophobicContact CE-CZ 3.37Å; M209-F224 HydrophobicContact SD-CD1 4.38Å; M209-F224 HydrophobicContact SD-CD2 4.09Å; M209-F224 HydrophobicContact SD-CE2 4.31Å; M209-F224 HydrophobicContact SD-CG 4.14Å; K215-F224 HydrophobicContact CB-CE1 4.18Å; T222-F224 HydrophobicContact CG2-CE1 4.02Å; T222-F224 HydrophobicContact CG2-CE2 3.91Å; T222-F224 HydrophobicContact CG2-CZ 3.47Å; T222-F224 VanDerWaalsContact CG2-CZ 3.47Å; T222-F224 WeakPolarHBondContact O-CD2 3.49Å; T222-F224 WeakPolarHBondContact O-CE2 3.42Å
225T92Very high80.2Confident7 Ų753.1 Ų53.14%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-117.7127165.4-62.50000109.1V93 Y96 Q108 I109 T110V93-T225 HydrophobicContact CG1-CG2 4.43Å; V93-T225 WeakPolarHBondContact CG1-OG1 3.14Å; Y96-T225 PolarHBondContact N-O 3.04Å; Q108-T225 HydrophobicContact CB-CG2 3.92Å; I109-T225 WeakPolarHBondContact O-CA 3.36Å; T110-T225 WeakPolarHBondContact CG2-OG1 3Å; T110-T225 PolarHBondContact OG1-OG1 3.01Å
226M89.9Confident80.4Confident2 Ų253.5 Ų53.51%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-129.8141.8-173.4-58.8-173.164.100110.4Y96 Q108 I109 F111 V207 I208 M209 I228Y96-M226 HydrophobicContact CD1-CE 3.23Å; Y96-M226 HydrophobicContact CD1-SD 4.46Å; Y96-M226 HydrophobicContact CE1-CE 3.71Å; Y96-M226 HydrophobicContact CG-CE 4.04Å; Q108-M226 CarbonylContact C-O 3.47Å; Q108-M226 VanDerWaalsContact CA-O 3.28Å; Q108-M226 WeakPolarHBondContact CA-O 3.48Å; Q108-M226 WeakPolarHBondContact CB-O 3.38Å; I109-M226 HydrophobicContact CG2-CB 4.41Å; I109-M226 PolarHBondContact N-O 3.49Å; I109-M226 PolarHBondContact O-N 3.3Å; F111-M226 HydrophobicContact CE1-CG 4.15Å; F111-M226 HydrophobicContact CE1-SD 3.74Å; F111-M226 HydrophobicContact CZ-CG 4.42Å; F111-M226 HydrophobicContact CZ-SD 3.58Å; F111-M226 VanDerWaalsContact CZ-SD 3.58Å; V207-M226 HydrophobicContact CB-CB 4.46Å; V207-M226 HydrophobicContact CG1-CB 3.4Å; V207-M226 VanDerWaalsContact CG1-CB 3.4Å; V207-M226 HydrophobicContact CG1-CE 3.47Å; V207-M226 VanDerWaalsContact CG1-CE 3.47Å; V207-M226 HydrophobicContact CG1-CG 3.89Å; V207-M226 HydrophobicContact CG1-SD 3.31Å; V207-M226 WeakPolarHBondContact CG1-SD 3.3Å; V207-M226 HydrophobicContact CG2-CB 4.24Å; I208-M226 WeakPolarHBondContact O-CE 3.46Å; M209-M226 HydrophobicContact CB-CE 4.08Å; M209-M226 HydrophobicContact CB-SD 3.81Å; M209-M226 HydrophobicContact CG-SD 4.13Å; M226-I228 PolarHBondContact O-N 3.46Å
227Q90.2Very high80.9Confident36 Ų3655 Ų5517%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-67.9131.5175.3-59.9-59.4-15.500110.5H95 T105 G107 Q108 V207 V229H95-Q227 PolarHBondContact CE1-NE2 3.42Å; H95-Q227 VanDerWaalsContact CE1-NE2 3.34Å; T105-Q227 HydrophobicContact CG2-CB 4Å; T105-Q227 HydrophobicContact CG2-CG 4.22Å; G107-Q227 PolarHBondContact O-OE1 2.88Å; Q108-Q227 VanDerWaalsContact OE1-NE2 3.14Å; V207-Q227 WeakPolarHBondContact CG2-O 3.47Å; Q227-V229 PolarHBondContact O-N 2.85Å
228I90.8Very high81.2Confident0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-74.6120.3170.1-58.4164.4000106.7T105 R106 G107 I109 A129 V132 V192 V207 M226T105-I228 CarbonylContact C-O 3.57Å; T105-I228 WeakPolarHBondContact CA-O 3.48Å; R106-I228 HydrophobicContact CB-CB 4.42Å; R106-I228 HydrophobicContact CB-CG2 4.1Å; R106-I228 PolarHBondContact N-O 2.61Å; G107-I228 WeakPolarHBondContact O-CB 3.47Å; G107-I228 PolarHBondContact O-N 3.12Å; I109-I228 HydrophobicContact CB-CD1 4.49Å; I109-I228 HydrophobicContact CB-CG1 4.23Å; A129-I228 HydrophobicContact CB-CD1 4.47Å; V132-I228 HydrophobicContact CG2-CD1 4.21Å; V192-I228 HydrophobicContact CB-CG2 4.45Å; V192-I228 HydrophobicContact CG2-CD1 3.89Å; V192-I228 HydrophobicContact CG2-CG1 4.07Å; V192-I228 HydrophobicContact CG2-CG2 4.16Å; V207-I228 HydrophobicContact CG2-CB 4.48Å; V207-I228 HydrophobicContact CG2-CG1 4.13Å; M226-I228 PolarHBondContact O-N 3.46Å
229V84.3Confident81.2Confident12 Ų1250.6 Ų50.67%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-104.5128.7-176.3-1770000108.5Y100 R104 G205 N206 Q227 N231Y100-V229 HydrophobicContact CD1-CG1 3.77Å; Y100-V229 HydrophobicContact CD2-CB 4.17Å; Y100-V229 HydrophobicContact CD2-CG1 3.79Å; Y100-V229 HydrophobicContact CD2-CG2 3.28Å; Y100-V229 HydrophobicContact CE1-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CB 4.11Å; Y100-V229 HydrophobicContact CE2-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CG2 3.36Å; Y100-V229 HydrophobicContact CG-CG1 3.74Å; Y100-V229 HydrophobicContact CG-CG2 4.04Å; R104-V229 HydrophobicContact CB-CG1 4.46Å; G205-V229 CarbonylContact C-O 3.54Å; G205-V229 WeakPolarHBondContact CA-O 3.3Å; N206-V229 PolarHBondContact N-O 3.47Å; N206-V229 PolarHBondContact O-N 3.49Å; Q227-V229 PolarHBondContact O-N 2.85Å; V229-N231 PolarHBondContact O-N 2.87Å
230D79.5Confident81.3Confident40 Ų4045.7 Ų45.721%0.21422%0.223CC..  trans-51.2134.3175.8-166.1-8.8000111.1R104 R106 D232R104-D230 PolarHBondContact O-N 3Å; R106-D230 HydrophobicContact CG-CB 3.91Å; R106-D230 IonicContact CZ-OD2 3.99Å; R106-D230 IonicContact NE-OD2 2.74Å; R106-D230 PolarHBondContact NE-OD2 3.29Å; R106-D230 IonicContact NH2-OD1 2.65Å; R106-D230 IonicContact NH2-OD2 3.53Å; R106-D230 PolarHBondContact NH2-OD2 3.17Å; D230-D232 PolarHBondContact O-N 2.92Å; D230-D232 PolarHBondContact OD1-N 3.2Å
231N66.4Low81.3Confident35 Ų3542.6 Ų42.619%0.18720%0.201CC..  trans-94.346.1178-166.19000110.5I203 N206 V229 K233I203-N231 HydrophobicContact CG2-CB 3.76Å; N206-N231 VanDerWaalsContact ND2-CB 3.3Å; N206-N231 WeakPolarHBondContact ND2-CB 3.19Å; N206-N231 PolarHBondContact ND2-ND2 2.79Å; V229-N231 PolarHBondContact O-N 2.87Å; N231-K233 PolarHBondContact O-N 2.69Å
232D57.8Low81.3Confident83 Ų8337.9 Ų37.944%0.44418%0.183SC..  trans-66.294.9169.7-157.6-8.3000106.5D230 K234 D235D230-D232 PolarHBondContact O-N 2.92Å; D230-D232 PolarHBondContact OD1-N 3.2Å; D232-K234 PolarHBondContact O-N 3.21Å; D232-D235 PolarHBondContact O-N 3.17Å
233K58.4Low81.3Confident148 Ų14839 Ų3964%0.64319%0.185SC*.THydrogen-bonded Turntrans-51.4-20.3-174.3-68-175177.4-175.70112.4N231 D235 R264N231-K233 PolarHBondContact O-N 2.69Å; K233-D235 PolarHBondContact O-N 3.41Å; K233-R264 PolarHBondContact O-NH2 2.99Å
234K60.5Low81.3Confident153 Ų15335.2 Ų35.267%0.66517%0.167SC*.THydrogen-bonded Turntrans-61.7-23.9175.1-69.6-177179.6175.30113.5D232 Y237 R264D232-K234 PolarHBondContact O-N 3.21Å; K234-Y237 PolarHBondContact O-OH 2.66Å; K234-R264 PolarHBondContact O-NH1 2.82Å; K234-R264 PolarHBondContact O-NH2 3.14Å
235D63.8Low81.3Confident64 Ų6440.2 Ų40.234%0.34219%0.189SC..THydrogen-bonded Turntrans-122.50.7-173.1-67.9-22.8000115.6R104 D232 K233 Y237 R264R104-D235 IonicContact CZ-OD2 3.07Å; R104-D235 VanDerWaalsContact NH2-CB 3.29Å; R104-D235 IonicContact NH2-OD2 2.73Å; R104-D235 PolarHBondContact NH2-OD2 3.16Å; D232-D235 PolarHBondContact O-N 3.17Å; K233-D235 PolarHBondContact O-N 3.41Å; D235-Y237 VanDerWaalsContact O-CD2 3.24Å; D235-Y237 WeakPolarHBondContact O-CD2 2.89Å; D235-R264 VanDerWaalsContact N-NH2 3.17Å
236D73.4Confident81.3Confident47 Ų4740 Ų4025%0.25119%0.188SC..  trans-88.7108168.9-176.33.3000110.4G238 N262 R264D236-G238 PolarHBondContact OD1-N 3.31Å; D236-N262 PolarHBondContact OD2-ND2 2.65Å; D236-R264 VanDerWaalsContact O-CZ 3.28Å; D236-R264 PolarHBondContact O-NE 2.65Å; D236-R264 PolarHBondContact O-NH2 2.97Å
237Y85.9Confident81.3Confident41 Ų4142 Ų4216%0.16120%0.197CC..  trans-98.63.5-179-65.8-94.3000112.4K234 D235 R264 L337 L384 P386K234-Y237 PolarHBondContact O-OH 2.66Å; D235-Y237 VanDerWaalsContact O-CD2 3.24Å; D235-Y237 WeakPolarHBondContact O-CD2 2.89Å; Y237-R264 PolarHBondContact OH-NH1 3.1Å; Y237-L337 VanDerWaalsContact CD1-O 3.29Å; Y237-L337 WeakPolarHBondContact CD1-O 3.48Å; Y237-L384 WeakPolarHBondContact O-CD1 3.26Å; Y237-P386 HydrophobicContact CD2-CB 4.07Å; Y237-P386 HydrophobicContact CE1-CB 3.93Å; Y237-P386 VanDerWaalsContact CE2-CA 3.48Å; Y237-P386 HydrophobicContact CE2-CB 3.36Å; Y237-P386 HydrophobicContact CE2-CG 4.2Å; Y237-P386 VanDerWaalsContact CZ-CA 3.41Å; Y237-P386 WeakPolarHBondContact OH-CB 3.01Å
238G84.9Confident81.3Confident1 Ų142.6 Ų42.61%0.0120%0.204CC..  trans87.2-177.8-175.900000113.6D236 Y261 N262 L384D236-G238 PolarHBondContact OD1-N 3.31Å; G238-Y261 CarbonylContact C-O 3.45Å; G238-Y261 WeakPolarHBondContact CA-O 3.38Å; G238-N262 VanDerWaalsContact CA-O 3.27Å; G238-N262 WeakPolarHBondContact CA-O 3.24Å; G238-L384 VanDerWaalsContact O-CB 3.28Å; G238-L384 WeakPolarHBondContact O-CB 3.13Å; G238-L384 WeakPolarHBondContact O-CG 3.27Å; G238-L384 PolarHBondContact O-N 3.39Å
239D85.7Confident81.3Confident6 Ų651.5 Ų51.53%0.03225%0.245CC..EExtended strand (participates in β ladder)trans-128154.1-178.8-58-78.7000111.1R210 A260 Y261 W381 H382 S383R210-D239 IonicContact CZ-OD1 3.07Å; R210-D239 IonicContact CZ-OD2 2.65Å; R210-D239 IonicContact NH1-OD1 3.74Å; R210-D239 PolarHBondContact NH1-OD1 2.69Å; R210-D239 IonicContact NH1-OD2 2.86Å; R210-D239 PolarHBondContact NH1-OD2 3.11Å; R210-D239 IonicContact NH2-OD1 2.99Å; R210-D239 PolarHBondContact NH2-OD1 3.2Å; D239-A260 CarbonylContact O-C 3.47Å; D239-A260 WeakPolarHBondContact O-CA 3.32Å; D239-A260 WeakPolarHBondContact O-CB 3.16Å; D239-Y261 PolarHBondContact N-O 3.26Å; D239-Y261 PolarHBondContact O-N 2.9Å; D239-W381 HydrophobicContact CB-CE3 3.75Å; D239-W381 HydrophobicContact CB-CZ3 4.08Å; D239-H382 CarbonylContact C-O 3.57Å; D239-H382 VanDerWaalsContact CA-O 3.3Å; D239-H382 WeakPolarHBondContact CA-O 3.33Å; D239-S383 WeakPolarHBondContact OD1-CA 3.38Å; D239-S383 WeakPolarHBondContact OD1-CB 3.2Å; D239-S383 PolarHBondContact OD1-OG 2.99Å
240I90.5Very high81.6Confident0 Ų057 Ų570%027%0.27CS..EExtended strand (participates in β ladder)trans-130.2131.9176.1-170.6169000111.6L242 V257 A260 V276 I323 V325 W381 H382 L384I240-L242 HydrophobicContact CD1-CD2 3.91Å; I240-L242 HydrophobicContact CD1-CG 4.4Å; I240-L242 HydrophobicContact CG1-CD2 4.03Å; I240-L242 HydrophobicContact CG1-CG 4.13Å; I240-L242 HydrophobicContact CG2-CD1 4.12Å; I240-L242 HydrophobicContact CG2-CG 4.29Å; I240-V257 HydrophobicContact CD1-CG1 4.24Å; I240-A260 HydrophobicContact CB-CB 4.4Å; I240-A260 HydrophobicContact CG1-CB 4.36Å; I240-V276 HydrophobicContact CD1-CB 4.5Å; I240-V276 HydrophobicContact CD1-CG1 3.96Å; I240-V276 HydrophobicContact CD1-CG2 3.69Å; I240-I323 HydrophobicContact CD1-CG2 4.25Å; I240-V325 HydrophobicContact CD1-CG2 3.82Å; I240-W381 VanDerWaalsContact C-CE3 3.43Å; I240-W381 CarbonylContact O-C 3.56Å; I240-W381 WeakPolarHBondContact O-CA 3.38Å; I240-H382 HydrophobicContact CG2-CB 4.02Å; I240-H382 PolarHBondContact N-O 2.91Å; I240-H382 PolarHBondContact O-N 3.48Å; I240-L384 HydrophobicContact CB-CD2 4.32Å; I240-L384 HydrophobicContact CG2-CD2 3.72Å; I240-L384 HydrophobicContact CG2-CG 4.45Å
241L88.3Confident82.3Confident6 Ų658.7 Ų58.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-91.5120.1173.3178.758.3000109.8Y243 G258 R259 W381L241-Y243 HydrophobicContact CD1-CE2 4.48Å; L241-Y243 HydrophobicContact CD2-CE2 4.14Å; L241-Y243 HydrophobicContact CG-CE2 3.96Å; L241-G258 PolarHBondContact O-N 3.26Å; L241-R259 HydrophobicContact CB-CG 4.07Å; L241-R259 HydrophobicContact CD2-CG 4.2Å; L241-R259 PolarHBondContact N-O 3.13Å; L241-W381 HydrophobicContact CB-CD2 3.8Å; L241-W381 HydrophobicContact CB-CE3 3.8Å; L241-W381 HydrophobicContact CB-CH2 3.94Å; L241-W381 HydrophobicContact CB-CZ2 3.92Å; L241-W381 HydrophobicContact CB-CZ3 3.87Å; L241-W381 HydrophobicContact CD1-CD2 4.28Å; L241-W381 HydrophobicContact CD1-CG 4.2Å; L241-W381 HydrophobicContact CD2-CZ2 4.13Å
242L91.2Very high83.7Confident0 Ų059.8 Ų59.80%028%0.279CS..EExtended strand (participates in β ladder)trans-124.6142.8-179.3-63170.7000109.6I240 V257 I323 I342 Q354 G379 M380I240-L242 HydrophobicContact CD1-CD2 3.91Å; I240-L242 HydrophobicContact CD1-CG 4.4Å; I240-L242 HydrophobicContact CG1-CD2 4.03Å; I240-L242 HydrophobicContact CG1-CG 4.13Å; I240-L242 HydrophobicContact CG2-CD1 4.12Å; I240-L242 HydrophobicContact CG2-CG 4.29Å; L242-V257 HydrophobicContact CD2-CB 4.43Å; L242-V257 HydrophobicContact CD2-CG1 4.34Å; L242-V257 HydrophobicContact CD2-CG2 4.12Å; L242-I323 HydrophobicContact CD1-CB 4.44Å; L242-I323 HydrophobicContact CD1-CD1 4.21Å; L242-I323 HydrophobicContact CD1-CG1 4Å; L242-I323 HydrophobicContact CD1-CG2 4.21Å; L242-I342 HydrophobicContact CB-CD1 4.3Å; L242-I342 HydrophobicContact CD1-CD1 3.54Å; L242-Q354 PolarHBondContact O-NE2 3.36Å; L242-G379 WeakPolarHBondContact O-CA 3.2Å; L242-M380 PolarHBondContact N-O 2.87Å; L242-M380 PolarHBondContact O-N 3.06Å
243Y90Very high85.5Confident52 Ų5255.8 Ų55.820%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-114.1131.1166.8-51.9-105.2000108.3L241 V255 T256 L376 N378 G379L241-Y243 HydrophobicContact CD1-CE2 4.48Å; L241-Y243 HydrophobicContact CD2-CE2 4.14Å; L241-Y243 HydrophobicContact CG-CE2 3.96Å; Y243-V255 CarbonylContact O-C 3.52Å; Y243-V255 WeakPolarHBondContact O-CA 3.49Å; Y243-T256 HydrophobicContact CD2-CG2 4.23Å; Y243-T256 PolarHBondContact N-O 3.46Å; Y243-T256 PolarHBondContact O-N 3.31Å; Y243-L376 HydrophobicContact CD1-CD2 3.83Å; Y243-L376 HydrophobicContact CE1-CB 4.33Å; Y243-L376 HydrophobicContact CE1-CD2 3.38Å; Y243-L376 HydrophobicContact CE1-CG 4.47Å; Y243-L376 WeakPolarHBondContact CE1-O 3.26Å; Y243-L376 HydrophobicContact CE2-CD2 4.32Å; Y243-L376 HydrophobicContact CG-CD2 4.49Å; Y243-N378 WeakPolarHBondContact CA-O 3.46Å; Y243-G379 VanDerWaalsContact CD1-N 3.3Å
244V92.6Very high87.2Confident3 Ų350.2 Ų50.22%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-125126.1-178.8-173.30000109.4L253 V255 I342 Q354 C358 N378V244-L253 HydrophobicContact CG1-CD1 3.8Å; V244-V255 HydrophobicContact CG2-CG1 4.4Å; V244-I342 HydrophobicContact CG2-CD1 3.9Å; V244-I342 HydrophobicContact CG2-CG2 4.45Å; V244-Q354 HydrophobicContact CB-CG 4.34Å; V244-Q354 HydrophobicContact CG2-CG 4.29Å; V244-C358 HydrophobicContact CG1-CB 4.24Å; V244-N378 PolarHBondContact O-ND2 3.33Å
245K90.8Very high88.9Confident109 Ų10942.9 Ų42.947%0.47420%0.203SC..EExtended strand (participates in β ladder)trans-134.7136.1178.8-179.3-171.8-179.2-164.10109.4E247 I254 C358K245-E247 HydrophobicContact CD-CG 4.34Å; K245-E247 VanDerWaalsContact CE-OE1 3.3Å; K245-E247 WeakPolarHBondContact CE-OE1 3.4Å; K245-E247 IonicContact NZ-OE1 2.64Å; K245-E247 PolarHBondContact NZ-OE1 3.37Å; K245-I254 HydrophobicContact CB-CB 4.38Å; K245-I254 PolarHBondContact N-O 3.26Å; K245-I254 PolarHBondContact O-N 3.35Å; K245-C358 VanDerWaalsContact C-SG 3.52Å
246F92.3Very high90.4Very high3 Ų341.6 Ų41.61%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-105.8142.3170.1-177-116.3000109.5P248 K252 L253 L311 T313 M316 C358 T362F246-P248 HydrophobicContact CD1-CB 4.46Å; F246-P248 HydrophobicContact CD1-CG 3.86Å; F246-P248 HydrophobicContact CE1-CB 3.91Å; F246-P248 HydrophobicContact CE1-CG 3.79Å; F246-K252 CarbonylContact C-O 3.57Å; F246-K252 WeakPolarHBondContact CD2-O 3.49Å; F246-L253 HydrophobicContact CB-CD1 4.29Å; F246-L253 HydrophobicContact CD2-CB 4.36Å; F246-L253 HydrophobicContact CD2-CD1 4.41Å; F246-L311 HydrophobicContact CD2-CD2 4.25Å; F246-L311 HydrophobicContact CE2-CB 4.04Å; F246-L311 HydrophobicContact CE2-CD2 4.2Å; F246-L311 HydrophobicContact CE2-CG 4.04Å; F246-L311 WeakPolarHBondContact CE2-O 3.43Å; F246-L311 WeakPolarHBondContact CZ-O 3.34Å; F246-T313 HydrophobicContact CE1-CG2 4.37Å; F246-M316 HydrophobicContact CB-CE 3.79Å; F246-M316 HydrophobicContact CD1-CE 3.63Å; F246-M316 HydrophobicContact CD1-SD 3.25Å; F246-M316 WeakPolarHBondContact CD1-SD 3.46Å; F246-M316 HydrophobicContact CD2-CE 4.01Å; F246-M316 HydrophobicContact CD2-SD 4.13Å; F246-M316 HydrophobicContact CE1-CE 4.22Å; F246-M316 HydrophobicContact CE1-CG 4.25Å; F246-M316 HydrophobicContact CE1-SD 3.25Å; F246-M316 WeakPolarHBondContact CE1-SD 3.24Å; F246-M316 HydrophobicContact CE2-CG 4.38Å; F246-M316 HydrophobicContact CE2-SD 4.14Å; F246-M316 HydrophobicContact CG-CE 3.52Å; F246-M316 HydrophobicContact CG-SD 3.72Å; F246-M316 HydrophobicContact CZ-CG 4.15Å; F246-M316 HydrophobicContact CZ-SD 3.73Å; F246-C358 VanDerWaalsContact CB-SG 3.59Å; F246-C358 PolarHBondContact N-SG 2.82Å; F246-T362 HydrophobicContact CB-CG2 3.98Å; F246-T362 HydrophobicContact CD1-CG2 4.01Å; F246-T362 HydrophobicContact CG-CG2 4.45Å; F246-T362 WeakPolarHBondContact O-CG2 3.47Å
247E90.4Very high91.4Very high44 Ų4439.3 Ų39.321%0.20619%0.186CC..EExtended strand (participates in β ladder)trans-122.497.8176.2-69.1-173.3171.200108.6K245 H249 E250 Q251 K252 I254K245-E247 HydrophobicContact CD-CG 4.34Å; K245-E247 VanDerWaalsContact CE-OE1 3.3Å; K245-E247 WeakPolarHBondContact CE-OE1 3.4Å; K245-E247 IonicContact NZ-OE1 2.64Å; K245-E247 PolarHBondContact NZ-OE1 3.37Å; E247-H249 VanDerWaalsContact C-N 3.31Å; E247-H249 PolarHBondContact O-N 2.7Å; E247-E250 HydrophobicContact CB-CB 4.49Å; E247-E250 PolarHBondContact O-N 3.48Å; E247-Q251 WeakPolarHBondContact O-CA 3.34Å; E247-Q251 PolarHBondContact O-N 3.01Å; E247-K252 PolarHBondContact N-O 3.23Å; E247-K252 PolarHBondContact O-N 2.65Å; E247-I254 VanDerWaalsContact CD-CD1 3.41Å; E247-I254 HydrophobicContact CG-CD1 4.04Å; E247-I254 WeakPolarHBondContact OE1-CD1 3.33Å
248P89.4Confident91.5Very high47 Ų4737.4 Ų37.431%0.30518%0.178SC..THydrogen-bonded Turntrans-63.1-35.1-171.9-22.330.8000113.7F246 Q251 T362F246-P248 HydrophobicContact CD1-CB 4.46Å; F246-P248 HydrophobicContact CD1-CG 3.86Å; F246-P248 HydrophobicContact CE1-CB 3.91Å; F246-P248 HydrophobicContact CE1-CG 3.79Å; P248-Q251 PolarHBondContact O-N 2.74Å; P248-T362 HydrophobicContact CG-CG2 3.82Å
249H90.3Very high91.5Very high188 Ų18838.7 Ų38.787%0.8718%0.183SC*.THydrogen-bonded Turntrans-67-40.4-179.3-69.6-67.3000112.4E247E247-H249 VanDerWaalsContact C-N 3.31Å; E247-H249 PolarHBondContact O-N 2.7Å
250E92.5Very high91.6Very high127 Ų12738.5 Ų38.559%0.59318%0.182SC*.THydrogen-bonded Turntrans-88.4-10.2178.2-57.7-161.7174.900112.9E247 K252E247-E250 HydrophobicContact CB-CB 4.49Å; E247-E250 PolarHBondContact O-N 3.48Å; E250-K252 VanDerWaalsContact C-N 3.29Å; E250-K252 HydrophobicContact CB-CB 4.3Å; E250-K252 HydrophobicContact CB-CG 3.6Å; E250-K252 WeakPolarHBondContact O-CE 3.36Å; E250-K252 WeakPolarHBondContact O-CG 3.37Å; E250-K252 PolarHBondContact O-N 3.24Å
251Q94.2Very high91.1Very high75 Ų7538.8 Ų38.835%0.3518%0.183SC..THydrogen-bonded Turntrans54.546.2-171.4-57.3-171.9-14.100111.8E247 P248 L311 H312E247-Q251 WeakPolarHBondContact O-CA 3.34Å; E247-Q251 PolarHBondContact O-N 3.01Å; P248-Q251 PolarHBondContact O-N 2.74Å; Q251-L311 CarbonylContact C-O 3.4Å; Q251-L311 VanDerWaalsContact C-O 3.28Å; Q251-L311 WeakPolarHBondContact CA-O 3.23Å; Q251-L311 WeakPolarHBondContact CB-O 3.29Å; Q251-L311 CarbonylContact O-C 3.58Å; Q251-L311 PolarHBondContact O-N 2.97Å; Q251-H312 PolarHBondContact NE2-CD2 3.49Å; Q251-H312 PolarHBondContact NE2-NE2 2.9Å; Q251-H312 PolarHBondContact OE1-CD2 3.2Å
252K95Very high90.6Very high58 Ų5840.2 Ų40.225%0.25219%0.191SC..EExtended strand (participates in β ladder)trans-118.1135.6-177.6-58.5-61.4175.2174.10111.2F246 E247 E250 I254 V308 F309 D310F246-K252 CarbonylContact C-O 3.57Å; F246-K252 WeakPolarHBondContact CD2-O 3.49Å; E247-K252 PolarHBondContact N-O 3.23Å; E247-K252 PolarHBondContact O-N 2.65Å; E250-K252 VanDerWaalsContact C-N 3.29Å; E250-K252 HydrophobicContact CB-CB 4.3Å; E250-K252 HydrophobicContact CB-CG 3.6Å; E250-K252 WeakPolarHBondContact O-CE 3.36Å; E250-K252 WeakPolarHBondContact O-CG 3.37Å; E250-K252 PolarHBondContact O-N 3.24Å; K252-I254 HydrophobicContact CB-CG1 4.5Å; K252-V308 HydrophobicContact CB-CG1 3.93Å; K252-V308 HydrophobicContact CD-CG1 3.91Å; K252-V308 HydrophobicContact CG-CG1 4.12Å; K252-F309 CarbonylContact C-O 3.56Å; K252-F309 WeakPolarHBondContact CA-O 3.38Å; K252-D310 IonicContact NZ-OD1 3.85Å; K252-D310 PolarHBondContact NZ-OD1 3.34Å
253L95.2Very high90.4Very high0 Ų040.4 Ų40.40%019%0.192CC..EExtended strand (participates in β ladder)trans-103.1116.6164.8-178.472.9000108.6V244 F246 V255 V308 F309 L311 L321 W355V244-L253 HydrophobicContact CG1-CD1 3.8Å; F246-L253 HydrophobicContact CB-CD1 4.29Å; F246-L253 HydrophobicContact CD2-CB 4.36Å; F246-L253 HydrophobicContact CD2-CD1 4.41Å; L253-V255 HydrophobicContact CG-CG2 4.39Å; L253-V308 CarbonylContact O-C 3.51Å; L253-V308 WeakPolarHBondContact O-CA 3.37Å; L253-F309 HydrophobicContact CB-CB 4.29Å; L253-F309 PolarHBondContact N-O 3.15Å; L253-F309 PolarHBondContact O-N 3.01Å; L253-L311 HydrophobicContact CB-CB 4.03Å; L253-L311 HydrophobicContact CB-CD2 3.97Å; L253-L311 HydrophobicContact CD1-CD2 4.38Å; L253-L311 HydrophobicContact CD2-CD2 4Å; L253-L311 HydrophobicContact CG-CD2 4.36Å; L253-L321 HydrophobicContact CD2-CD1 3.81Å; L253-L321 HydrophobicContact CD2-CD2 3.87Å; L253-L321 HydrophobicContact CD2-CG 4.04Å; L253-W355 HydrophobicContact CD1-CH2 4.34Å; L253-W355 HydrophobicContact CD1-CZ3 4.04Å; L253-W355 HydrophobicContact CD2-CH2 3.91Å; L253-W355 HydrophobicContact CD2-CZ3 3.83Å
254I94.8Very high90Very high30 Ų3040 Ų4015%0.15419%0.19CC..EExtended strand (participates in β ladder)trans-102.9119.9-177.5-56.5177000107.9K245 E247 K252 V306 V308K245-I254 HydrophobicContact CB-CB 4.38Å; K245-I254 PolarHBondContact N-O 3.26Å; K245-I254 PolarHBondContact O-N 3.35Å; E247-I254 VanDerWaalsContact CD-CD1 3.41Å; E247-I254 HydrophobicContact CG-CD1 4.04Å; E247-I254 WeakPolarHBondContact OE1-CD1 3.33Å; K252-I254 HydrophobicContact CB-CG1 4.5Å; I254-V306 HydrophobicContact CG2-CG1 3.51Å; I254-V308 HydrophobicContact CG1-CG1 4.35Å; I254-V308 HydrophobicContact CG1-CG2 4.35Å
255V96.2Very high89.6Confident0 Ų043.3 Ų43.30%021%0.212CC..EExtended strand (participates in β ladder)trans-116.4115.1175.7-172.80000109.2Y243 V244 L253 I278 L307 F309 L321Y243-V255 CarbonylContact O-C 3.52Å; Y243-V255 WeakPolarHBondContact O-CA 3.49Å; V244-V255 HydrophobicContact CG2-CG1 4.4Å; L253-V255 HydrophobicContact CG-CG2 4.39Å; V255-I278 HydrophobicContact CB-CD1 4.08Å; V255-I278 HydrophobicContact CG1-CD1 3.57Å; V255-L307 PolarHBondContact N-O 3.13Å; V255-L307 PolarHBondContact O-N 2.97Å; V255-F309 HydrophobicContact CG2-CD2 4.36Å; V255-F309 HydrophobicContact CG2-CE2 4.35Å; V255-L321 HydrophobicContact CG2-CD1 3.58Å
256T94.1Very high89.3Confident36 Ų3642 Ų4222%0.22121%0.208CC..EExtended strand (participates in β ladder)trans-94.3117.6171.4-50.60000108.9Y243 G258 E305 V306Y243-T256 HydrophobicContact CD2-CG2 4.23Å; Y243-T256 PolarHBondContact N-O 3.46Å; Y243-T256 PolarHBondContact O-N 3.31Å; T256-G258 PolarHBondContact O-N 3.26Å; T256-E305 CarbonylContact C-O 3.56Å; T256-E305 WeakPolarHBondContact CA-O 3.39Å; T256-V306 HydrophobicContact CG2-CG2 4.15Å
257V95Very high88.7Confident0 Ų043.7 Ų43.70%022%0.217CC..EExtended strand (participates in β ladder)trans-82.4107.3169.6-174.90000107.1I240 L242 V276 I278 T292 Y303 N304 E305 L307I240-V257 HydrophobicContact CD1-CG1 4.24Å; L242-V257 HydrophobicContact CD2-CB 4.43Å; L242-V257 HydrophobicContact CD2-CG1 4.34Å; L242-V257 HydrophobicContact CD2-CG2 4.12Å; V257-V276 HydrophobicContact CG1-CB 4.15Å; V257-V276 HydrophobicContact CG1-CG1 4.42Å; V257-V276 HydrophobicContact CG1-CG2 3.78Å; V257-V276 HydrophobicContact CG2-CB 4.44Å; V257-V276 HydrophobicContact CG2-CG1 4.27Å; V257-I278 HydrophobicContact CG2-CD1 3.93Å; V257-T292 HydrophobicContact CB-CG2 3.87Å; V257-T292 HydrophobicContact CG1-CG2 4.1Å; V257-T292 HydrophobicContact CG2-CG2 3.69Å; V257-Y303 HydrophobicContact CG1-CD2 3.55Å; V257-Y303 HydrophobicContact CG1-CE2 4.21Å; V257-Y303 HydrophobicContact CG1-CG 3.84Å; V257-Y303 WeakPolarHBondContact O-CB 3.27Å; V257-N304 VanDerWaalsContact O-CA 3.28Å; V257-N304 WeakPolarHBondContact O-CA 3.45Å; V257-N304 PolarHBondContact O-N 3.03Å; V257-E305 PolarHBondContact N-O 3.16Å; V257-E305 PolarHBondContact O-N 3.4Å; V257-L307 HydrophobicContact CG2-CD1 4.3Å
258G87.5Confident87.9Confident1 Ų150.1 Ų50.11%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-75.1-74.2-179.600000110.3L241 T256 Y303 N304L241-G258 PolarHBondContact O-N 3.26Å; T256-G258 PolarHBondContact O-N 3.26Å; G258-Y303 PolarHBondContact O-N 3.22Å; G258-N304 PolarHBondContact O-N 3.11Å; G258-N304 PolarHBondContact O-OD1 2.94Å
259R86.1Confident87.2Confident27 Ų2752.8 Ų52.810%0.10227%0.267CS..EExtended strand (participates in β ladder)trans-161.9163-17559.2-171.7-178.8163.49.1111S185 L241 P301 V302 W381S185-R259 PolarHBondContact O-NH1 2.9Å; S185-R259 PolarHBondContact O-NH2 3.26Å; L241-R259 HydrophobicContact CB-CG 4.07Å; L241-R259 HydrophobicContact CD2-CG 4.2Å; L241-R259 PolarHBondContact N-O 3.13Å; R259-P301 CarbonylContact C-O 3.52Å; R259-P301 WeakPolarHBondContact CA-O 3.42Å; R259-P301 WeakPolarHBondContact CB-O 3.23Å; R259-V302 HydrophobicContact CB-CB 4.4Å; R259-V302 HydrophobicContact CB-CG2 4.12Å; R259-W381 HydrophobicContact CG-CH2 3.84Å; R259-W381 HydrophobicContact CG-CZ2 4.37Å
260A86.6Confident86.4Confident3 Ų346.2 Ų46.23%0.02525%0.25CS..EExtended strand (participates in β ladder)trans-119.9161.1167.900000110.6D239 I240 L263 H300 P301 Y303D239-A260 CarbonylContact O-C 3.47Å; D239-A260 WeakPolarHBondContact O-CA 3.32Å; D239-A260 WeakPolarHBondContact O-CB 3.16Å; I240-A260 HydrophobicContact CB-CB 4.4Å; I240-A260 HydrophobicContact CG1-CB 4.36Å; A260-L263 HydrophobicContact CB-CD1 3.95Å; A260-L263 HydrophobicContact CB-CD2 3.93Å; A260-L263 HydrophobicContact CB-CG 4.05Å; A260-H300 CarbonylContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-CA 3.27Å; A260-H300 WeakPolarHBondContact O-CA 3.47Å; A260-P301 HydrophobicContact CB-CG 3.84Å; A260-P301 PolarHBondContact N-O 3.02Å; A260-Y303 HydrophobicContact CB-CE2 4.43Å
261Y80.1Confident85.7Confident5 Ų540.9 Ų40.92%0.0223%0.228CC..EExtended strand (participates in β ladder)trans-142139.3-175.4-177.8-90.6000111.1L150 R153 M187 G238 D239 L263 H300L150-Y261 HydrophobicContact CB-CE2 3.79Å; L150-Y261 HydrophobicContact CD1-CD1 4.43Å; L150-Y261 HydrophobicContact CD1-CE1 3.5Å; L150-Y261 HydrophobicContact CD1-CE2 3.84Å; L150-Y261 WeakPolarHBondContact CD1-OH 3.34Å; L150-Y261 HydrophobicContact CD2-CE2 4.06Å; L150-Y261 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y261 HydrophobicContact CG-CE2 4.09Å; L150-Y261 WeakPolarHBondContact CG-OH 3.04Å; R153-Y261 PolarHBondContact NE-OH 2.8Å; R153-Y261 PolarHBondContact NH2-OH 2.74Å; M187-Y261 HydrophobicContact CE-CD1 3.47Å; M187-Y261 VanDerWaalsContact CE-CD1 3.47Å; M187-Y261 HydrophobicContact CE-CD2 3.62Å; M187-Y261 HydrophobicContact CE-CE1 4.14Å; M187-Y261 HydrophobicContact CE-CE2 4.27Å; M187-Y261 HydrophobicContact CE-CG 3.22Å; G238-Y261 CarbonylContact C-O 3.45Å; G238-Y261 WeakPolarHBondContact CA-O 3.38Å; D239-Y261 PolarHBondContact N-O 3.26Å; D239-Y261 PolarHBondContact O-N 2.9Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.73Å; Y261-H300 AromaticContact CD2-CE1 3.67Å; Y261-H300 AromaticContact CD2-ND1 3Å; Y261-H300 WeakPolarHBondContact CD2-ND1 3.28Å; Y261-H300 AromaticContact CE2-CE1 3.36Å; Y261-H300 WeakPolarHBondContact CE2-CE1 3.38Å; Y261-H300 AromaticContact CE2-ND1 3.14Å; Y261-H300 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H300 AromaticContact CG-ND1 3.59Å; Y261-H300 AromaticContact CZ-CE1 3.6Å; Y261-H300 AromaticContact CZ-ND1 3.83Å
262N78.4Confident85.5Confident37 Ų3737.3 Ų37.320%0.19821%0.211CC..SBendtrans58.539.9177.2-153.149000113.1R153 D236 G238 L299 H300R153-N262 PolarHBondContact NH2-OD1 3.07Å; D236-N262 PolarHBondContact OD2-ND2 2.65Å; G238-N262 VanDerWaalsContact CA-O 3.27Å; G238-N262 WeakPolarHBondContact CA-O 3.24Å; N262-L299 PolarHBondContact N-O 2.86Å; N262-L299 VanDerWaalsContact N-O 3.16Å; N262-H300 PolarHBondContact N-CE1 3.12Å; N262-H300 VanDerWaalsContact N-CE1 3.29Å; N262-H300 PolarHBondContact N-ND1 2.97Å; N262-H300 VanDerWaalsContact N-ND1 3.17Å
263L85.9Confident85.4Confident3 Ų335.7 Ų35.72%0.01621%0.205CC..PPolyproline II helixtrans-63.5153.9172.6-59.7-179.4000110A260 Y261 P274 L299 P301 V325 L337 L384A260-L263 HydrophobicContact CB-CD1 3.95Å; A260-L263 HydrophobicContact CB-CD2 3.93Å; A260-L263 HydrophobicContact CB-CG 4.05Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.73Å; L263-P274 HydrophobicContact CD1-CB 3.54Å; L263-P274 HydrophobicContact CD1-CG 3.79Å; L263-L299 HydrophobicContact CB-CB 4.47Å; L263-L299 HydrophobicContact CB-CD2 4.34Å; L263-L299 PolarHBondContact N-O 2.86Å; L263-L299 WeakPolarHBondContact O-CD2 3.46Å; L263-P301 HydrophobicContact CD1-CG 3.74Å; L263-V325 HydrophobicContact CD1-CG1 3.88Å; L263-V325 HydrophobicContact CD2-CG1 3.96Å; L263-L337 HydrophobicContact CD1-CD1 4.23Å; L263-L384 HydrophobicContact CD2-CD1 3.67Å
264R83.6Confident85.5Confident45 Ų4535.7 Ų35.717%0.1721%0.205CC..PPolyproline II helixtrans-73.9141.7177.1-66.3-176.7177.8-162.6-0.1110.8K233 K234 D235 D236 Y237 S272 L337K233-R264 PolarHBondContact O-NH2 2.99Å; K234-R264 PolarHBondContact O-NH1 2.82Å; K234-R264 PolarHBondContact O-NH2 3.14Å; D235-R264 VanDerWaalsContact N-NH2 3.17Å; D236-R264 VanDerWaalsContact O-CZ 3.28Å; D236-R264 PolarHBondContact O-NE 2.65Å; D236-R264 PolarHBondContact O-NH2 2.97Å; Y237-R264 PolarHBondContact OH-NH1 3.1Å; R264-S272 PolarHBondContact O-OG 3.16Å; R264-L337 HydrophobicContact CB-CD2 4.33Å; R264-L337 VanDerWaalsContact O-CD2 3.3Å; R264-L337 WeakPolarHBondContact O-CD2 3.37Å
265P83.9Confident85.7Confident72 Ų7234.6 Ų34.647%0.46820%0.199SC..PPolyproline II helixtrans-73.5124.7164.131.7-31.9000109.6G270 A271 S272 L299P265-G270 VanDerWaalsContact CB-C 3.44Å; P265-G270 VanDerWaalsContact CB-O 3.31Å; P265-G270 WeakPolarHBondContact CB-O 3.34Å; P265-A271 WeakPolarHBondContact CA-O 3.31Å; P265-S272 WeakPolarHBondContact CA-OG 3.46Å; P265-L299 HydrophobicContact CB-CD1 4.32Å; P265-L299 HydrophobicContact CB-CD2 4.47Å
266M84.5Confident85.8Confident82 Ų8234.6 Ų34.640%0.40420%0.199SC..  trans-115.4-26177.5-71.4-60.2-64.100111.6A271 S272 D327 D335 L337M266-A271 PolarHBondContact N-O 3.35Å; M266-A271 VanDerWaalsContact N-O 3.12Å; M266-S272 PolarHBondContact N-OG 2.74Å; M266-D327 HydrophobicContact CB-CB 4.31Å; M266-D327 WeakPolarHBondContact CB-OD2 3.33Å; M266-D335 HydrophobicContact CE-CB 3.91Å; M266-D335 WeakPolarHBondContact CE-OD2 3.45Å; M266-L337 HydrophobicContact CB-CD2 4.2Å; M266-L337 HydrophobicContact CG-CD2 3.28Å
267D78.5Confident86Confident38 Ų3835.3 Ų35.320%0.20320%0.199CC..SBendtrans-74.7151.5172.9-74-48.4000113T269 G270 A271D267-T269 WeakPolarHBondContact CB-OG1 3.47Å; D267-T269 PolarHBondContact O-N 3.26Å; D267-G270 PolarHBondContact O-N 2.82Å; D267-A271 WeakPolarHBondContact CB-O 3.45Å; D267-A271 PolarHBondContact N-O 3.1Å
268I74.3Confident86.1Confident178 Ų17835.3 Ų35.391%0.91320%0.199SC*.THydrogen-bonded Turntrans-57.6-20.4171.1-165.9168.9000113.3G270I268-G270 PolarHBondContact O-N 2.99Å
269T74.1Confident86.6Confident103 Ų10335.3 Ų35.363%0.63220%0.199SC*.THydrogen-bonded Turntrans-69.3-13.6177.362.40000112.9D267 A271D267-T269 WeakPolarHBondContact CB-OG1 3.47Å; D267-T269 PolarHBondContact O-N 3.26Å; T269-A271 PolarHBondContact OG1-N 3.2Å
270G73.4Confident87.1Confident51 Ų5134.4 Ų34.453%0.52620%0.196SC..SBendtrans82.315-172.600000113.5P265 D267 I268P265-G270 VanDerWaalsContact CB-C 3.44Å; P265-G270 VanDerWaalsContact CB-O 3.31Å; P265-G270 WeakPolarHBondContact CB-O 3.34Å; D267-G270 PolarHBondContact O-N 2.82Å; I268-G270 PolarHBondContact O-N 2.99Å
271A79.3Confident87.6Confident15 Ų1534.2 Ų34.212%0.12420%0.195CC..SBendtrans-128.6-165172.400000110.2P265 M266 D267 T269 A297P265-A271 WeakPolarHBondContact CA-O 3.31Å; M266-A271 PolarHBondContact N-O 3.35Å; M266-A271 VanDerWaalsContact N-O 3.12Å; D267-A271 WeakPolarHBondContact CB-O 3.45Å; D267-A271 PolarHBondContact N-O 3.1Å; T269-A271 PolarHBondContact OG1-N 3.2Å; A271-A297 HydrophobicContact CB-CB 4.01Å
272S89.7Confident88.3Confident0 Ų037.4 Ų37.40%021%0.207CC..  trans-145159.1170.2-590000108R264 P265 M266 P274 A297 N298 D327R264-S272 PolarHBondContact O-OG 3.16Å; P265-S272 WeakPolarHBondContact CA-OG 3.46Å; M266-S272 PolarHBondContact N-OG 2.74Å; S272-P274 WeakPolarHBondContact O-CD 3.28Å; S272-A297 CarbonylContact O-C 3.54Å; S272-A297 VanDerWaalsContact O-CA 3.23Å; S272-A297 WeakPolarHBondContact O-CA 3.35Å; S272-A297 PolarHBondContact O-N 3.32Å; S272-N298 PolarHBondContact O-N 2.94Å; S272-D327 WeakPolarHBondContact CB-OD1 3.48Å
273D92.5Very high88.9Confident23 Ų2340.8 Ų40.812%0.12322%0.221CC..  trans-102.367.2172.4-72.3-19.4000110.8I294 K295 R296 A297 D327 W328D273-I294 HydrophobicContact CB-CG2 3.99Å; D273-I294 WeakPolarHBondContact O-CG2 3.4Å; D273-K295 CarbonylContact C-O 3.51Å; D273-K295 VanDerWaalsContact CA-O 3.32Å; D273-K295 WeakPolarHBondContact CA-O 3.31Å; D273-R296 WeakPolarHBondContact OD1-CA 3.15Å; D273-A297 PolarHBondContact OD1-N 2.84Å; D273-D327 WeakPolarHBondContact CA-OD1 3.34Å; D273-D327 PolarHBondContact N-OD1 3.32Å; D273-W328 HydrophobicContact CB-CB 4.11Å; D273-W328 HydrophobicContact CB-CE3 4.41Å; D273-W328 WeakPolarHBondContact O-CB 3.49Å; D273-W328 PolarHBondContact O-N 3.14Å
274P97Very high89Confident0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-70.8145.8-167.430.9-42.7000114.8L263 S272 K295 N298 P301 Y303 V325 M326 L337L263-P274 HydrophobicContact CD1-CB 3.54Å; L263-P274 HydrophobicContact CD1-CG 3.79Å; S272-P274 WeakPolarHBondContact O-CD 3.28Å; P274-K295 WeakPolarHBondContact CD-O 3.48Å; P274-K295 HydrophobicContact CG-CB 4.43Å; P274-K295 PolarHBondContact O-N 3Å; P274-N298 WeakPolarHBondContact CD-O 3.39Å; P274-N298 WeakPolarHBondContact CG-O 3.34Å; P274-P301 HydrophobicContact CB-CG 4.27Å; P274-P301 HydrophobicContact CG-CB 3.9Å; P274-P301 HydrophobicContact CG-CG 3.63Å; P274-Y303 WeakPolarHBondContact CB-OH 3.34Å; P274-Y303 PolarHBondContact O-OH 2.95Å; P274-V325 HydrophobicContact CB-CG1 4.31Å; P274-M326 CarbonylContact C-O 3.55Å; P274-M326 WeakPolarHBondContact CA-O 3.44Å; P274-L337 HydrophobicContact CB-CD1 3.88Å
275Y98.2Very high89.5Confident7 Ų751.2 Ų51.23%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-141.2159.1163.274.9-85.9000110.9K277 K291 I294 M326 W328 D334Y275-K277 HydrophobicContact CE2-CB 4.06Å; Y275-K291 HydrophobicContact CD2-CB 4.29Å; Y275-K291 HydrophobicContact CD2-CD 4.03Å; Y275-K291 HydrophobicContact CD2-CG 4.27Å; Y275-K291 HydrophobicContact CE2-CD 3.51Å; Y275-K291 HydrophobicContact CE2-CG 4.02Å; Y275-K291 PolarHBondContact OH-NZ 2.8Å; Y275-I294 HydrophobicContact CD1-CG1 4.08Å; Y275-I294 HydrophobicContact CG-CG1 4.16Å; Y275-M326 HydrophobicContact CD1-CB 3.81Å; Y275-M326 HydrophobicContact CD2-CB 4.34Å; Y275-M326 HydrophobicContact CE1-CB 3.33Å; Y275-M326 HydrophobicContact CE1-CG 4.18Å; Y275-M326 HydrophobicContact CE2-CB 3.88Å; Y275-M326 HydrophobicContact CE2-CG 3.89Å; Y275-M326 HydrophobicContact CG-CB 4.31Å; Y275-M326 PolarHBondContact N-O 2.93Å; Y275-M326 PolarHBondContact O-N 2.88Å; Y275-W328 HydrophobicContact CD1-CB 4.04Å; Y275-W328 HydrophobicContact CE1-CB 4.19Å; Y275-D334 HydrophobicContact CE1-CB 4.38Å; Y275-D334 VanDerWaalsContact CE1-OD2 3.23Å; Y275-D334 WeakPolarHBondContact CE1-OD2 3.41Å; Y275-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y275-D334 PolarHBondContact OH-OD2 2.86Å
276V98.6Very high90Very high0 Ų054.3 Ų54.30%027%0.266CS..EExtended strand (participates in β ladder)trans-108124.9-178.5-175.10000110I240 V257 I278 K291 T292 Y303 I323 K324 V325I240-V276 HydrophobicContact CD1-CB 4.5Å; I240-V276 HydrophobicContact CD1-CG1 3.96Å; I240-V276 HydrophobicContact CD1-CG2 3.69Å; V257-V276 HydrophobicContact CG1-CB 4.15Å; V257-V276 HydrophobicContact CG1-CG1 4.42Å; V257-V276 HydrophobicContact CG1-CG2 3.78Å; V257-V276 HydrophobicContact CG2-CB 4.44Å; V257-V276 HydrophobicContact CG2-CG1 4.27Å; V276-I278 HydrophobicContact CG1-CG1 4.09Å; V276-K291 CarbonylContact O-C 3.59Å; V276-K291 WeakPolarHBondContact O-CA 3.32Å; V276-T292 HydrophobicContact CB-CG2 3.93Å; V276-T292 PolarHBondContact N-OG1 3.31Å; V276-T292 PolarHBondContact O-N 2.79Å; V276-Y303 HydrophobicContact CG2-CD2 4.38Å; V276-Y303 HydrophobicContact CG2-CE1 4.31Å; V276-Y303 HydrophobicContact CG2-CE2 3.76Å; V276-I323 HydrophobicContact CG1-CG2 3.47Å; V276-I323 VanDerWaalsContact CG1-CG2 3.47Å; V276-K324 CarbonylContact C-O 3.5Å; V276-K324 WeakPolarHBondContact CA-O 3.11Å; V276-V325 HydrophobicContact CG2-CG2 4.34Å
277K98.2Very high90.5Very high52 Ų5255.1 Ų55.123%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-107.5114.2175.1-176.3-178.3-177.5-179.50109.7Y275 I279 T289 K291 K324 M326Y275-K277 HydrophobicContact CE2-CB 4.06Å; K277-I279 HydrophobicContact CG-CG1 4.33Å; K277-T289 HydrophobicContact CD-CG2 4.28Å; K277-T289 HydrophobicContact CG-CG2 3.74Å; K277-K291 HydrophobicContact CB-CG 4.13Å; K277-K291 HydrophobicContact CG-CG 4.03Å; K277-K324 HydrophobicContact CB-CB 4.38Å; K277-K324 PolarHBondContact N-O 2.89Å; K277-K324 PolarHBondContact O-N 2.84Å; K277-M326 HydrophobicContact CB-CG 4.24Å
278I98.2Very high91.3Very high0 Ų058.4 Ų58.40%028%0.284CS..EExtended strand (participates in β ladder)trans-103.7124.1178.1-54.6-172.5000109.5V255 V257 V276 T289 K290 L307 F309 L321 I323V255-I278 HydrophobicContact CB-CD1 4.08Å; V255-I278 HydrophobicContact CG1-CD1 3.57Å; V257-I278 HydrophobicContact CG2-CD1 3.93Å; V276-I278 HydrophobicContact CG1-CG1 4.09Å; I278-T289 VanDerWaalsContact O-CA 3.31Å; I278-T289 WeakPolarHBondContact O-CA 3.49Å; I278-K290 PolarHBondContact N-O 2.81Å; I278-K290 PolarHBondContact O-N 2.88Å; I278-L307 HydrophobicContact CD1-CD1 3.84Å; I278-L307 HydrophobicContact CG1-CD1 4.11Å; I278-F309 HydrophobicContact CB-CE2 4.3Å; I278-F309 HydrophobicContact CB-CZ 3.8Å; I278-F309 HydrophobicContact CG2-CE1 4.45Å; I278-F309 HydrophobicContact CG2-CE2 3.85Å; I278-F309 HydrophobicContact CG2-CZ 3.55Å; I278-L321 HydrophobicContact CG2-CB 4.46Å; I278-L321 HydrophobicContact CG2-CD1 4.48Å; I278-L321 HydrophobicContact CG2-CD2 4.14Å; I278-I323 HydrophobicContact CD1-CG1 4.4Å; I278-I323 HydrophobicContact CG1-CG1 4.17Å; I278-I323 HydrophobicContact CG1-CG2 4.29Å; I278-I323 HydrophobicContact CG2-CG1 4.36Å
279I97.5Very high92.5Very high1 Ų151.7 Ų51.71%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-114117.7-179.8-53170.9000108.3K277 L281 R286 K288 T289 L321 L322 K324K277-I279 HydrophobicContact CG-CG1 4.33Å; I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 4.32Å; I279-R286 HydrophobicContact CG2-CB 4.33Å; I279-R286 HydrophobicContact CG2-CG 3.8Å; I279-K288 WeakPolarHBondContact CA-O 3.43Å; I279-T289 HydrophobicContact CG1-CG2 4.08Å; I279-L321 WeakPolarHBondContact O-CA 3.41Å; I279-L322 HydrophobicContact CB-CB 4.3Å; I279-L322 HydrophobicContact CD1-CD2 4.26Å; I279-L322 PolarHBondContact N-O 2.93Å; I279-L322 PolarHBondContact O-N 3.45Å; I279-K324 HydrophobicContact CD1-CD 4.45Å
280Q97.3Very high93.6Very high7 Ų750.3 Ų50.33%0.03324%0.236CC..EExtended strand (participates in β ladder)trans-80.9123.9171.8-176.7-175.61700109.5I287 K288 F309 D310 T319 L321Q280-I287 HydrophobicContact CG-CB 4.34Å; Q280-I287 PolarHBondContact O-N 3.21Å; Q280-K288 HydrophobicContact CB-CB 4.37Å; Q280-K288 PolarHBondContact N-O 2.77Å; Q280-F309 HydrophobicContact CB-CD1 3.93Å; Q280-F309 HydrophobicContact CB-CE1 4.22Å; Q280-D310 PolarHBondContact NE2-O 2.89Å; Q280-T319 HydrophobicContact CG-CG2 4.08Å; Q280-L321 HydrophobicContact CB-CD2 4.22Å; Q280-L321 HydrophobicContact CG-CD2 4.45Å
281L96.2Very high94.8Very high0 Ų052.6 Ų52.60%023%0.232CC..EExtended strand (participates in β ladder)trans-117.2121.4179.9-57.4175.3000108.8I279 R285 R286 T319 N320 L322 F392 C395I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 4.32Å; L281-R285 CarbonylContact C-O 3.53Å; L281-R285 VanDerWaalsContact CA-O 3.28Å; L281-R285 WeakPolarHBondContact CA-O 3.26Å; L281-R286 HydrophobicContact CD2-CB 4.07Å; L281-T319 CarbonylContact O-C 3.52Å; L281-T319 VanDerWaalsContact O-CA 3.27Å; L281-T319 WeakPolarHBondContact O-CA 3.31Å; L281-N320 HydrophobicContact CB-CB 4.43Å; L281-N320 PolarHBondContact N-O 2.7Å; L281-N320 PolarHBondContact O-N 3.47Å; L281-L322 HydrophobicContact CD1-CB 3.98Å; L281-F392 HydrophobicContact CD1-CD1 3.58Å; L281-F392 HydrophobicContact CD1-CE1 4.12Å; L281-C395 HydrophobicContact CD1-CB 4.18Å; L281-C395 HydrophobicContact CD2-CB 3.97Å
282Y94.8Very high95.7Very high72 Ų7252.5 Ų52.528%0.28223%0.229SC..EExtended strand (participates in β ladder)trans-112.4123171173.9-110.2000108.4H284 R285 A315 D318Y282-H284 PolarHBondContact O-N 2.79Å; Y282-R285 PolarHBondContact N-O 3.36Å; Y282-R285 WeakPolarHBondContact O-CB 3.47Å; Y282-R285 PolarHBondContact O-N 2.85Å; Y282-A315 HydrophobicContact CD2-CB 3.86Å; Y282-A315 HydrophobicContact CE2-CB 3.62Å; Y282-D318 HydrophobicContact CD2-CB 3.99Å; Y282-D318 HydrophobicContact CE2-CB 3.7Å
283Q92.1Very high96.1Very high107 Ų10754.7 Ų54.750%0.525%0.245SC..THydrogen-bonded Turntrans47.748-175-62.9179.7-16.400111.6R285 D318Q283-R285 PolarHBondContact O-N 3.47Å; Q283-R285 VanDerWaalsContact O-N 3.09Å; Q283-D318 HydrophobicContact CG-CB 3.65Å; Q283-D318 PolarHBondContact N-O 3.2Å; Q283-D318 PolarHBondContact NE2-OD2 3.21Å; Q283-D318 VanDerWaalsContact NE2-OD2 3.16Å
284H87.7Confident96.3Very high75 Ų7557 Ų5735%0.34726%0.256SS..THydrogen-bonded Turntrans62.215.3-179.8-63.981.3000114.7Y282 D345 C395Y282-H284 PolarHBondContact O-N 2.79Å; H284-D345 IonicContact CE1-OD2 3.96Å; H284-C395 VanDerWaalsContact CB-SG 3.51Å; H284-C395 WeakPolarHBondContact O-CB 3.31Å; H284-C395 PolarHBondContact O-SG 3.43Å
285R92.7Very high96.1Very high193 Ų19359.6 Ų59.673%0.72827%0.267SS*.EExtended strand (participates in β ladder)trans-110.1133.9173.4-64.1-176.7176.5-168.7-0.3111.1L281 Y282 Q283 I287L281-R285 CarbonylContact C-O 3.53Å; L281-R285 VanDerWaalsContact CA-O 3.28Å; L281-R285 WeakPolarHBondContact CA-O 3.26Å; Y282-R285 PolarHBondContact N-O 3.36Å; Y282-R285 WeakPolarHBondContact O-CB 3.47Å; Y282-R285 PolarHBondContact O-N 2.85Å; Q283-R285 PolarHBondContact O-N 3.47Å; Q283-R285 VanDerWaalsContact O-N 3.09Å; R285-I287 PolarHBondContact O-N 2.79Å
286R94.6Very high95.7Very high137 Ų13768.5 Ų68.552%0.51730%0.301SS..EExtended strand (participates in β ladder)trans-68.1122.3176.6172.6175.1153.4-155.8-11111.2I279 L281 T289I279-R286 HydrophobicContact CG2-CB 4.33Å; I279-R286 HydrophobicContact CG2-CG 3.8Å; L281-R286 HydrophobicContact CD2-CB 4.07Å; R286-T289 PolarHBondContact NE-OG1 3.17Å
287I95.3Very high95.1Very high98 Ų9871.6 Ų71.650%0.50333%0.327SS..EExtended strand (participates in β ladder)trans-100.7-54178.2-57.2-53.8000110.8Q280 R285Q280-I287 HydrophobicContact CG-CB 4.34Å; Q280-I287 PolarHBondContact O-N 3.21Å; R285-I287 PolarHBondContact O-N 2.79Å
288K96.5Very high94.3Very high108 Ų10871.8 Ų71.847%0.4733%0.33SS..EExtended strand (participates in β ladder)trans-144153.1-175.4-165.470.7176-166.30110.8I279 Q280 F309I279-K288 WeakPolarHBondContact CA-O 3.43Å; Q280-K288 HydrophobicContact CB-CB 4.37Å; Q280-K288 PolarHBondContact N-O 2.77Å; K288-F309 HydrophobicContact CB-CD1 4.07Å; K288-F309 HydrophobicContact CB-CE1 4.33Å; K288-F309 HydrophobicContact CG-CD1 4.14Å; K288-F309 HydrophobicContact CG-CE1 4.31Å
289T97.6Very high93.6Very high36 Ų3673.7 Ų73.722%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-132.2134.7172-570000109.1K277 I278 I279 R286K277-T289 HydrophobicContact CD-CG2 4.28Å; K277-T289 HydrophobicContact CG-CG2 3.74Å; I278-T289 VanDerWaalsContact O-CA 3.31Å; I278-T289 WeakPolarHBondContact O-CA 3.49Å; I279-T289 HydrophobicContact CG1-CG2 4.08Å; R286-T289 PolarHBondContact NE-OG1 3.17Å
290K98.5Very high92.7Very high74 Ų7476 Ų7632%0.32235%0.351SS..EExtended strand (participates in β ladder)trans-130.1158.2170.7-65.8-168.1166.1-161.80109.7I278 L307 V308 F309I278-K290 PolarHBondContact N-O 2.81Å; I278-K290 PolarHBondContact O-N 2.88Å; K290-L307 HydrophobicContact CB-CB 4.37Å; K290-L307 HydrophobicContact CB-CD1 4.13Å; K290-L307 HydrophobicContact CB-CD2 4.28Å; K290-L307 HydrophobicContact CD-CB 4.34Å; K290-V308 WeakPolarHBondContact CD-O 3.41Å; K290-V308 WeakPolarHBondContact CE-O 3.22Å; K290-V308 PolarHBondContact NZ-O 2.79Å; K290-F309 HydrophobicContact CB-CE1 4.15Å; K290-F309 HydrophobicContact CB-CE2 4.48Å; K290-F309 HydrophobicContact CB-CZ 3.72Å; K290-F309 HydrophobicContact CD-CE1 4.27Å; K290-F309 HydrophobicContact CD-CE2 4.37Å; K290-F309 HydrophobicContact CD-CZ 4.13Å; K290-F309 HydrophobicContact CG-CE1 3.89Å; K290-F309 HydrophobicContact CG-CZ 3.89Å
291K98.4Very high92.2Very high100 Ų10075.7 Ų75.744%0.43535%0.349SS..EExtended strand (participates in β ladder)trans-135.3152.1-179-64.5-178.3174.4-159.60110.4Y275 V276 K277Y275-K291 HydrophobicContact CD2-CB 4.29Å; Y275-K291 HydrophobicContact CD2-CD 4.03Å; Y275-K291 HydrophobicContact CD2-CG 4.27Å; Y275-K291 HydrophobicContact CE2-CD 3.51Å; Y275-K291 HydrophobicContact CE2-CG 4.02Å; Y275-K291 PolarHBondContact OH-NZ 2.8Å; V276-K291 CarbonylContact O-C 3.59Å; V276-K291 WeakPolarHBondContact O-CA 3.32Å; K277-K291 HydrophobicContact CB-CG 4.13Å; K277-K291 HydrophobicContact CG-CG 4.03Å
292T98.6Very high91.7Very high13 Ų1379.2 Ų79.28%0.0837%0.371CS..  trans-82176.4168.263.40000111.7V257 V276 Y303 E305 L307V257-T292 HydrophobicContact CB-CG2 3.87Å; V257-T292 HydrophobicContact CG1-CG2 4.1Å; V257-T292 HydrophobicContact CG2-CG2 3.69Å; V276-T292 HydrophobicContact CB-CG2 3.93Å; V276-T292 PolarHBondContact N-OG1 3.31Å; V276-T292 PolarHBondContact O-N 2.79Å; T292-Y303 HydrophobicContact CG2-CD1 4.24Å; T292-Y303 WeakPolarHBondContact OG1-CE1 3.45Å; T292-E305 WeakPolarHBondContact CA-OE2 3.45Å; T292-E305 WeakPolarHBondContact CB-OE2 3.19Å; T292-E305 HydrophobicContact CG2-CB 4.22Å; T292-L307 HydrophobicContact CG2-CD1 4.11Å
293S97.6Very high91.4Very high46 Ų4676.3 Ų76.332%0.32236%0.36SS..  trans-61.6155.8161.173.10000111.6K295 E305S293-K295 WeakPolarHBondContact OG-CE 3.35Å; S293-K295 PolarHBondContact OG-NZ 2.84Å; S293-E305 VanDerWaalsContact CB-OE1 3.25Å; S293-E305 WeakPolarHBondContact CB-OE1 3.35Å; S293-E305 VanDerWaalsContact N-CD 3.33Å; S293-E305 PolarHBondContact N-OE1 3.18Å; S293-E305 PolarHBondContact N-OE2 2.89Å; S293-E305 PolarHBondContact OG-OE1 2.82Å
294I97Very high91.3Very high70 Ų7076.7 Ų76.736%0.35937%0.365SS..  trans-86.4131.9173.4-64.2157.6000108.4D273 Y275 W328D273-I294 HydrophobicContact CB-CG2 3.99Å; D273-I294 WeakPolarHBondContact O-CG2 3.4Å; Y275-I294 HydrophobicContact CD1-CG1 4.08Å; Y275-I294 HydrophobicContact CG-CG1 4.16Å; I294-W328 HydrophobicContact CD1-CB 3.94Å; I294-W328 HydrophobicContact CD1-CD2 4.04Å; I294-W328 HydrophobicContact CD1-CG 3.54Å; I294-W328 HydrophobicContact CG1-CB 4.13Å; I294-W328 HydrophobicContact CG1-CG 4.28Å; I294-W328 HydrophobicContact CG2-CB 3.97Å; I294-W328 HydrophobicContact CG2-CG 4.44Å
295K92.4Very high91.7Very high55 Ų5575.2 Ų75.224%0.23936%0.358CS..  trans-105.5113.2174.3-56.4-58.7178.8178.60108.6D273 P274 S293 N298 P301 V302 Y303 E305D273-K295 CarbonylContact C-O 3.51Å; D273-K295 VanDerWaalsContact CA-O 3.32Å; D273-K295 WeakPolarHBondContact CA-O 3.31Å; P274-K295 WeakPolarHBondContact CD-O 3.48Å; P274-K295 HydrophobicContact CG-CB 4.43Å; P274-K295 PolarHBondContact O-N 3Å; S293-K295 WeakPolarHBondContact OG-CE 3.35Å; S293-K295 PolarHBondContact OG-NZ 2.84Å; K295-N298 HydrophobicContact CB-CB 4.38Å; K295-P301 HydrophobicContact CB-CB 3.8Å; K295-P301 HydrophobicContact CG-CB 3.7Å; K295-V302 WeakPolarHBondContact CE-O 3.47Å; K295-V302 PolarHBondContact NZ-O 3.3Å; K295-Y303 HydrophobicContact CG-CD1 4.04Å; K295-Y303 HydrophobicContact CG-CE1 3.75Å; K295-E305 IonicContact NZ-OE1 3.12Å
296R90.3Very high91.9Very high194 Ų19470.1 Ų70.173%0.73235%0.348SS*.THydrogen-bonded Turntrans-74.4140.8-173.4-67.6-174.9176.6175.2-0.4113.3D273 N298D273-R296 WeakPolarHBondContact OD1-CA 3.15Å; R296-N298 VanDerWaalsContact C-N 3.3Å; R296-N298 PolarHBondContact O-N 2.87Å
297A85.8Confident92.1Very high66 Ų6664.3 Ų64.355%0.54533%0.327SS..THydrogen-bonded Turntrans4450.6174.100000113.1A271 S272 D273A271-A297 HydrophobicContact CB-CB 4.01Å; S272-A297 CarbonylContact O-C 3.54Å; S272-A297 VanDerWaalsContact O-CA 3.23Å; S272-A297 WeakPolarHBondContact O-CA 3.35Å; S272-A297 PolarHBondContact O-N 3.32Å; D273-A297 PolarHBondContact OD1-N 2.84Å
298N81.2Confident92.2Very high56 Ų5662.1 Ų62.130%0.29932%0.319SS..  trans-139.4115.7-170.8-168-18.6000112.4S272 P274 K295 R296 H300S272-N298 PolarHBondContact O-N 2.94Å; P274-N298 WeakPolarHBondContact CD-O 3.39Å; P274-N298 WeakPolarHBondContact CG-O 3.34Å; K295-N298 HydrophobicContact CB-CB 4.38Å; R296-N298 VanDerWaalsContact C-N 3.3Å; R296-N298 PolarHBondContact O-N 2.87Å; N298-H300 WeakPolarHBondContact OD1-CA 3.49Å; N298-H300 PolarHBondContact OD1-N 2.79Å; N298-H300 PolarHBondContact OD1-O 3.34Å
299L82.6Confident92.2Very high40 Ų4057.1 Ų57.121%0.20930%0.297CS..SBendtrans-90.7-2177.2-55.9-177.6000113.9N262 L263 P265 P301N262-L299 PolarHBondContact N-O 2.86Å; N262-L299 VanDerWaalsContact N-O 3.16Å; L263-L299 HydrophobicContact CB-CB 4.47Å; L263-L299 HydrophobicContact CB-CD2 4.34Å; L263-L299 PolarHBondContact N-O 2.86Å; L263-L299 WeakPolarHBondContact O-CD2 3.46Å; P265-L299 HydrophobicContact CB-CD1 4.32Å; P265-L299 HydrophobicContact CB-CD2 4.47Å; L299-P301 VanDerWaalsContact C-CD 3.42Å
300H80.3Confident92.2Very high49 Ų4960.4 Ų60.423%0.22731%0.313CS..SBendtrans-13252.5178.9-54.3-76.7000111.1R153 A260 Y261 N262 N298 V302R153-H300 PolarHBondContact NH2-CE1 2.81Å; A260-H300 CarbonylContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-CA 3.27Å; A260-H300 WeakPolarHBondContact O-CA 3.47Å; Y261-H300 AromaticContact CD2-CE1 3.67Å; Y261-H300 AromaticContact CD2-ND1 3Å; Y261-H300 WeakPolarHBondContact CD2-ND1 3.28Å; Y261-H300 AromaticContact CE2-CE1 3.36Å; Y261-H300 WeakPolarHBondContact CE2-CE1 3.38Å; Y261-H300 AromaticContact CE2-ND1 3.14Å; Y261-H300 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H300 AromaticContact CG-ND1 3.59Å; Y261-H300 AromaticContact CZ-CE1 3.6Å; Y261-H300 AromaticContact CZ-ND1 3.83Å; N262-H300 PolarHBondContact N-CE1 3.12Å; N262-H300 VanDerWaalsContact N-CE1 3.29Å; N262-H300 PolarHBondContact N-ND1 2.97Å; N262-H300 VanDerWaalsContact N-ND1 3.17Å; N298-H300 WeakPolarHBondContact OD1-CA 3.49Å; N298-H300 PolarHBondContact OD1-N 2.79Å; N298-H300 PolarHBondContact OD1-O 3.34Å; H300-V302 PolarHBondContact O-N 3.12Å
301P86Confident92Very high0 Ų057.1 Ų57.10%030%0.299CS..  trans-66.5133.8-170.729.8-38.1000111.6R259 A260 L263 P274 K295 L299 Y303R259-P301 CarbonylContact C-O 3.52Å; R259-P301 WeakPolarHBondContact CA-O 3.42Å; R259-P301 WeakPolarHBondContact CB-O 3.23Å; A260-P301 HydrophobicContact CB-CG 3.84Å; A260-P301 PolarHBondContact N-O 3.02Å; L263-P301 HydrophobicContact CD1-CG 3.74Å; P274-P301 HydrophobicContact CB-CG 4.27Å; P274-P301 HydrophobicContact CG-CB 3.9Å; P274-P301 HydrophobicContact CG-CG 3.63Å; K295-P301 HydrophobicContact CB-CB 3.8Å; K295-P301 HydrophobicContact CG-CB 3.7Å; L299-P301 VanDerWaalsContact C-CD 3.42Å; P301-Y303 HydrophobicContact CB-CD2 4.42Å; P301-Y303 HydrophobicContact CB-CE1 4.34Å; P301-Y303 HydrophobicContact CB-CE2 3.75Å; P301-Y303 HydrophobicContact CG-CE2 3.54Å; P301-Y303 WeakPolarHBondContact CG-OH 3.34Å
302V85.7Confident91.8Very high74 Ų7456.8 Ų56.845%0.44830%0.299SS..EExtended strand (participates in β ladder)trans-100.7118.4166.3-178.50000108.2R259 K295 H300 N304R259-V302 HydrophobicContact CB-CB 4.4Å; R259-V302 HydrophobicContact CB-CG2 4.12Å; K295-V302 WeakPolarHBondContact CE-O 3.47Å; K295-V302 PolarHBondContact NZ-O 3.3Å; H300-V302 PolarHBondContact O-N 3.12Å; V302-N304 WeakPolarHBondContact CG1-ND2 3.33Å
303Y89.6Confident91.5Very high12 Ų1259.5 Ų59.55%0.04732%0.315CS..EExtended strand (participates in β ladder)trans-96.2-58.5-179.2-60.5-84.1000110.6V257 G258 A260 P274 V276 T292 K295 P301 E305V257-Y303 HydrophobicContact CG1-CD2 3.55Å; V257-Y303 HydrophobicContact CG1-CE2 4.21Å; V257-Y303 HydrophobicContact CG1-CG 3.84Å; V257-Y303 WeakPolarHBondContact O-CB 3.27Å; G258-Y303 PolarHBondContact O-N 3.22Å; A260-Y303 HydrophobicContact CB-CE2 4.43Å; P274-Y303 WeakPolarHBondContact CB-OH 3.34Å; P274-Y303 PolarHBondContact O-OH 2.95Å; V276-Y303 HydrophobicContact CG2-CD2 4.38Å; V276-Y303 HydrophobicContact CG2-CE1 4.31Å; V276-Y303 HydrophobicContact CG2-CE2 3.76Å; T292-Y303 HydrophobicContact CG2-CD1 4.24Å; T292-Y303 WeakPolarHBondContact OG1-CE1 3.45Å; K295-Y303 HydrophobicContact CG-CD1 4.04Å; K295-Y303 HydrophobicContact CG-CE1 3.75Å; P301-Y303 HydrophobicContact CB-CD2 4.42Å; P301-Y303 HydrophobicContact CB-CE1 4.34Å; P301-Y303 HydrophobicContact CB-CE2 3.75Å; P301-Y303 HydrophobicContact CG-CE2 3.54Å; P301-Y303 WeakPolarHBondContact CG-OH 3.34Å; Y303-E305 PolarHBondContact O-N 2.67Å
304N89.4Confident91.2Very high114 Ų11461.7 Ų61.761%0.6133%0.331SS*.EExtended strand (participates in β ladder)trans5041.2-169.2-62.1-25.5000112.6V257 G258 V302V257-N304 VanDerWaalsContact O-CA 3.28Å; V257-N304 WeakPolarHBondContact O-CA 3.45Å; V257-N304 PolarHBondContact O-N 3.03Å; G258-N304 PolarHBondContact O-N 3.11Å; G258-N304 PolarHBondContact O-OD1 2.94Å; V302-N304 WeakPolarHBondContact CG1-ND2 3.33Å
305E96.1Very high91.1Very high45 Ų4559 Ų5921%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-107.5137-175.4-73.2178.3-122.700111.7T256 V257 T292 S293 K295 Y303T256-E305 CarbonylContact C-O 3.56Å; T256-E305 WeakPolarHBondContact CA-O 3.39Å; V257-E305 PolarHBondContact N-O 3.16Å; V257-E305 PolarHBondContact O-N 3.4Å; T292-E305 WeakPolarHBondContact CA-OE2 3.45Å; T292-E305 WeakPolarHBondContact CB-OE2 3.19Å; T292-E305 HydrophobicContact CG2-CB 4.22Å; S293-E305 VanDerWaalsContact CB-OE1 3.25Å; S293-E305 WeakPolarHBondContact CB-OE1 3.35Å; S293-E305 VanDerWaalsContact N-CD 3.33Å; S293-E305 PolarHBondContact N-OE1 3.18Å; S293-E305 PolarHBondContact N-OE2 2.89Å; S293-E305 PolarHBondContact OG-OE1 2.82Å; K295-E305 IonicContact NZ-OE1 3.12Å; Y303-E305 PolarHBondContact O-N 2.67Å
306V96.5Very high91Very high85 Ų8557 Ų5752%0.51531%0.311SS..EExtended strand (participates in β ladder)trans-102.1122.1-178.7-176.70000110.4I254 T256 V308I254-V306 HydrophobicContact CG2-CG1 3.51Å; T256-V306 HydrophobicContact CG2-CG2 4.15Å; V306-V308 HydrophobicContact CG1-CG2 4.11Å
307L97.9Very high91.1Very high16 Ų1650.7 Ų50.78%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-115111.3177-57-178.1000109.8V255 V257 I278 K290 T292 F309V255-L307 PolarHBondContact N-O 3.13Å; V255-L307 PolarHBondContact O-N 2.97Å; V257-L307 HydrophobicContact CG2-CD1 4.3Å; I278-L307 HydrophobicContact CD1-CD1 3.84Å; I278-L307 HydrophobicContact CG1-CD1 4.11Å; K290-L307 HydrophobicContact CB-CB 4.37Å; K290-L307 HydrophobicContact CB-CD1 4.13Å; K290-L307 HydrophobicContact CB-CD2 4.28Å; K290-L307 HydrophobicContact CD-CB 4.34Å; T292-L307 HydrophobicContact CG2-CD1 4.11Å; L307-F309 HydrophobicContact CB-CE2 3.97Å
308V97.4Very high91.5Very high52 Ų5250.6 Ų50.632%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-96.4132.6-177.7-1740000111.6K252 L253 I254 K290 V306K252-V308 HydrophobicContact CB-CG1 3.93Å; K252-V308 HydrophobicContact CD-CG1 3.91Å; K252-V308 HydrophobicContact CG-CG1 4.12Å; L253-V308 CarbonylContact O-C 3.51Å; L253-V308 WeakPolarHBondContact O-CA 3.37Å; I254-V308 HydrophobicContact CG1-CG1 4.35Å; I254-V308 HydrophobicContact CG1-CG2 4.35Å; K290-V308 WeakPolarHBondContact CD-O 3.41Å; K290-V308 WeakPolarHBondContact CE-O 3.22Å; K290-V308 PolarHBondContact NZ-O 2.79Å; V306-V308 HydrophobicContact CG1-CG2 4.11Å
309F97.6Very high92.2Very high2 Ų248 Ų481%0.00928%0.277CS..EExtended strand (participates in β ladder)trans-119.2144.2178.1-65.5-97.7000110.5K252 L253 V255 I278 Q280 K288 K290 L307 L311K252-F309 CarbonylContact C-O 3.56Å; K252-F309 WeakPolarHBondContact CA-O 3.38Å; L253-F309 HydrophobicContact CB-CB 4.29Å; L253-F309 PolarHBondContact N-O 3.15Å; L253-F309 PolarHBondContact O-N 3.01Å; V255-F309 HydrophobicContact CG2-CD2 4.36Å; V255-F309 HydrophobicContact CG2-CE2 4.35Å; I278-F309 HydrophobicContact CB-CE2 4.3Å; I278-F309 HydrophobicContact CB-CZ 3.8Å; I278-F309 HydrophobicContact CG2-CE1 4.45Å; I278-F309 HydrophobicContact CG2-CE2 3.85Å; I278-F309 HydrophobicContact CG2-CZ 3.55Å; Q280-F309 HydrophobicContact CB-CD1 3.93Å; Q280-F309 HydrophobicContact CB-CE1 4.22Å; K288-F309 HydrophobicContact CB-CD1 4.07Å; K288-F309 HydrophobicContact CB-CE1 4.33Å; K288-F309 HydrophobicContact CG-CD1 4.14Å; K288-F309 HydrophobicContact CG-CE1 4.31Å; K290-F309 HydrophobicContact CB-CE1 4.15Å; K290-F309 HydrophobicContact CB-CE2 4.48Å; K290-F309 HydrophobicContact CB-CZ 3.72Å; K290-F309 HydrophobicContact CD-CE1 4.27Å; K290-F309 HydrophobicContact CD-CE2 4.37Å; K290-F309 HydrophobicContact CD-CZ 4.13Å; K290-F309 HydrophobicContact CG-CE1 3.89Å; K290-F309 HydrophobicContact CG-CZ 3.89Å; L307-F309 HydrophobicContact CB-CE2 3.97Å; F309-L311 PolarHBondContact O-N 3.19Å
310D97Very high92.9Very high106 Ų10646.1 Ų46.157%0.56727%0.267SS*.EExtended strand (participates in β ladder)trans-74.7123.3169.6-57.9-45.9000108.6K252 Q280K252-D310 IonicContact NZ-OD1 3.85Å; K252-D310 PolarHBondContact NZ-OD1 3.34Å; Q280-D310 PolarHBondContact NE2-O 2.89Å
311L95.5Very high93.7Very high5 Ų543.8 Ų43.83%0.02626%0.256CS..  trans-145.2109.6178.9179.258000110.1F246 Q251 L253 F309 A315 M316 T319 W355F246-L311 HydrophobicContact CD2-CD2 4.25Å; F246-L311 HydrophobicContact CE2-CB 4.04Å; F246-L311 HydrophobicContact CE2-CD2 4.2Å; F246-L311 HydrophobicContact CE2-CG 4.04Å; F246-L311 WeakPolarHBondContact CE2-O 3.43Å; F246-L311 WeakPolarHBondContact CZ-O 3.34Å; Q251-L311 CarbonylContact C-O 3.4Å; Q251-L311 VanDerWaalsContact C-O 3.28Å; Q251-L311 WeakPolarHBondContact CA-O 3.23Å; Q251-L311 WeakPolarHBondContact CB-O 3.29Å; Q251-L311 CarbonylContact O-C 3.58Å; Q251-L311 PolarHBondContact O-N 2.97Å; L253-L311 HydrophobicContact CB-CB 4.03Å; L253-L311 HydrophobicContact CB-CD2 3.97Å; L253-L311 HydrophobicContact CD1-CD2 4.38Å; L253-L311 HydrophobicContact CD2-CD2 4Å; L253-L311 HydrophobicContact CG-CD2 4.36Å; F309-L311 PolarHBondContact O-N 3.19Å; L311-A315 HydrophobicContact CD1-CB 3.95Å; L311-M316 HydrophobicContact CD2-CG 3.89Å; L311-M316 HydrophobicContact CG-CG 4.08Å; L311-T319 HydrophobicContact CD1-CG2 4.03Å; L311-T319 WeakPolarHBondContact CD1-OG1 3.09Å; L311-T319 HydrophobicContact CD2-CG2 4.27Å; L311-W355 HydrophobicContact CD2-CH2 4.02Å; L311-W355 HydrophobicContact CD2-CZ2 4.46Å
312H94Very high94.2Very high92 Ų9243.8 Ų43.843%0.42626%0.256SS..  trans-69.2139.9173.3-164.8-88.3000110.1Q251 S314 A315Q251-H312 PolarHBondContact NE2-CD2 3.49Å; Q251-H312 PolarHBondContact NE2-NE2 2.9Å; Q251-H312 PolarHBondContact OE1-CD2 3.2Å; H312-S314 WeakPolarHBondContact ND1-CB 3.42Å; H312-S314 PolarHBondContact ND1-N 2.94Å; H312-S314 PolarHBondContact ND1-OG 2.95Å; H312-S314 PolarHBondContact O-N 3.43Å; H312-S314 VanDerWaalsContact O-N 3.14Å; H312-A315 WeakPolarHBondContact O-CB 3.34Å; H312-A315 PolarHBondContact O-N 3.02Å
313T91.3Very high94.8Very high70 Ų7040.3 Ų40.343%0.42924%0.235SC..G310 helixtrans-54-37.7-178.8-50.90000112.4F246 A315 M316F246-T313 HydrophobicContact CE1-CG2 4.37Å; T313-A315 PolarHBondContact O-N 2.84Å; T313-M316 PolarHBondContact O-N 2.81Å
314S92.1Very high95.2Very high92 Ų9241.2 Ų41.264%0.64324%0.239SC*.G310 helixtrans-65.4-19.6177.368.90000114.4H312H312-S314 WeakPolarHBondContact ND1-CB 3.42Å; H312-S314 PolarHBondContact ND1-N 2.94Å; H312-S314 PolarHBondContact ND1-OG 2.95Å; H312-S314 PolarHBondContact O-N 3.43Å; H312-S314 VanDerWaalsContact O-N 3.14Å
315A94Very high95.6Very high15 Ų1535.8 Ų35.812%0.12421%0.21CC..G310 helixtrans-95.2-8.9-178.900000113.1Y282 L311 H312 T313 A317 D318 T319Y282-A315 HydrophobicContact CD2-CB 3.86Å; Y282-A315 HydrophobicContact CE2-CB 3.62Å; L311-A315 HydrophobicContact CD1-CB 3.95Å; H312-A315 WeakPolarHBondContact O-CB 3.34Å; H312-A315 PolarHBondContact O-N 3.02Å; T313-A315 PolarHBondContact O-N 2.84Å; A315-A317 VanDerWaalsContact C-N 3.29Å; A315-A317 PolarHBondContact O-N 3.48Å; A315-D318 PolarHBondContact O-N 2.91Å; A315-T319 WeakPolarHBondContact O-CB 3.21Å; A315-T319 PolarHBondContact O-N 3.34Å; A315-T319 PolarHBondContact O-OG1 3.16Å
316M91.6Very high95.7Very high12 Ų1234.6 Ų34.66%0.05920%0.204CC..G310 helixtrans-59.4-37.4-176-72-1658200113.5F246 L311 T313 D318 T319 W355F246-M316 HydrophobicContact CB-CE 3.79Å; F246-M316 HydrophobicContact CD1-CE 3.63Å; F246-M316 HydrophobicContact CD1-SD 3.25Å; F246-M316 WeakPolarHBondContact CD1-SD 3.46Å; F246-M316 HydrophobicContact CD2-CE 4.01Å; F246-M316 HydrophobicContact CD2-SD 4.13Å; F246-M316 HydrophobicContact CE1-CE 4.22Å; F246-M316 HydrophobicContact CE1-CG 4.25Å; F246-M316 HydrophobicContact CE1-SD 3.25Å; F246-M316 WeakPolarHBondContact CE1-SD 3.24Å; F246-M316 HydrophobicContact CE2-CG 4.38Å; F246-M316 HydrophobicContact CE2-SD 4.14Å; F246-M316 HydrophobicContact CG-CE 3.52Å; F246-M316 HydrophobicContact CG-SD 3.72Å; F246-M316 HydrophobicContact CZ-CG 4.15Å; F246-M316 HydrophobicContact CZ-SD 3.73Å; L311-M316 HydrophobicContact CD2-CG 3.89Å; L311-M316 HydrophobicContact CG-CG 4.08Å; T313-M316 PolarHBondContact O-N 2.81Å; M316-D318 PolarHBondContact O-N 3.2Å; M316-T319 PolarHBondContact O-N 3.11Å; M316-W355 WeakPolarHBondContact O-CZ2 3.23Å; M316-W355 PolarHBondContact O-NE1 2.8Å
317A92Very high95.7Very high61 Ų6130.5 Ų30.550%0.50418%0.18SC..G310 helixtrans-65.6-24.1-17600000113.4A315 P344A315-A317 VanDerWaalsContact C-N 3.29Å; A315-A317 PolarHBondContact O-N 3.48Å; A317-P344 WeakPolarHBondContact O-CG 3.11Å
318D94.1Very high95.6Very high65 Ų6533.4 Ų33.435%0.34819%0.19SC..G310 helixtrans-115.713.5-179.5-52.5-42000112.5Y282 Q283 A315 M316Y282-D318 HydrophobicContact CD2-CB 3.99Å; Y282-D318 HydrophobicContact CE2-CB 3.7Å; Q283-D318 HydrophobicContact CG-CB 3.65Å; Q283-D318 PolarHBondContact N-O 3.2Å; Q283-D318 PolarHBondContact NE2-OD2 3.21Å; Q283-D318 VanDerWaalsContact NE2-OD2 3.16Å; A315-D318 PolarHBondContact O-N 2.91Å; M316-D318 PolarHBondContact O-N 3.2Å
319T95.9Very high95.3Very high1 Ų132.4 Ų32.41%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-100129.7-179.3-64.90000110.8Q280 L281 L311 A315 M316 P344 W355Q280-T319 HydrophobicContact CG-CG2 4.08Å; L281-T319 CarbonylContact O-C 3.52Å; L281-T319 VanDerWaalsContact O-CA 3.27Å; L281-T319 WeakPolarHBondContact O-CA 3.31Å; L311-T319 HydrophobicContact CD1-CG2 4.03Å; L311-T319 WeakPolarHBondContact CD1-OG1 3.09Å; L311-T319 HydrophobicContact CD2-CG2 4.27Å; A315-T319 WeakPolarHBondContact O-CB 3.21Å; A315-T319 PolarHBondContact O-N 3.34Å; A315-T319 PolarHBondContact O-OG1 3.16Å; M316-T319 PolarHBondContact O-N 3.11Å; T319-P344 WeakPolarHBondContact O-CD 3.32Å; T319-W355 HydrophobicContact CG2-CH2 3.95Å; T319-W355 HydrophobicContact CG2-CZ2 4.24Å; T319-W355 WeakPolarHBondContact O-CZ2 3.07Å
320N96.5Very high94.9Very high1 Ų143 Ų431%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-119.9149.5169.6-66.1-90.4000109.8L281 I341 G343 P344 D345 F392L281-N320 HydrophobicContact CB-CB 4.43Å; L281-N320 PolarHBondContact N-O 2.7Å; L281-N320 PolarHBondContact O-N 3.47Å; N320-I341 HydrophobicContact CB-CG2 4.4Å; N320-G343 WeakPolarHBondContact OD1-CA 3.41Å; N320-P344 WeakPolarHBondContact OD1-CD 3.48Å; N320-D345 PolarHBondContact ND2-OD2 3.47Å; N320-D345 WeakPolarHBondContact OD1-CB 3.31Å; N320-D345 PolarHBondContact OD1-N 3.33Å; N320-F392 HydrophobicContact CB-CE1 3.88Å
321L97.3Very high94.3Very high0 Ų045.2 Ų45.20%023%0.233CC..EExtended strand (participates in β ladder)trans-103.9124.4166.3-63.6-177.5000108.9L253 V255 I278 I279 Q280 I323 I341 I342 W355L253-L321 HydrophobicContact CD2-CD1 3.81Å; L253-L321 HydrophobicContact CD2-CD2 3.87Å; L253-L321 HydrophobicContact CD2-CG 4.04Å; V255-L321 HydrophobicContact CG2-CD1 3.58Å; I278-L321 HydrophobicContact CG2-CB 4.46Å; I278-L321 HydrophobicContact CG2-CD1 4.48Å; I278-L321 HydrophobicContact CG2-CD2 4.14Å; I279-L321 WeakPolarHBondContact O-CA 3.41Å; Q280-L321 HydrophobicContact CB-CD2 4.22Å; Q280-L321 HydrophobicContact CG-CD2 4.45Å; L321-I323 HydrophobicContact CB-CD1 3.82Å; L321-I323 WeakPolarHBondContact O-CD1 3.29Å; L321-I341 VanDerWaalsContact O-CA 3.31Å; L321-I341 WeakPolarHBondContact O-CA 3.19Å; L321-I342 HydrophobicContact CB-CB 4.39Å; L321-I342 PolarHBondContact N-O 3.38Å; L321-I342 PolarHBondContact O-N 3.37Å; L321-W355 HydrophobicContact CD1-CZ3 4.34Å; L321-W355 HydrophobicContact CG-CZ3 4.22Å
322L97.6Very high93.9Very high0 Ų048.2 Ų48.20%027%0.265CS..EExtended strand (participates in β ladder)trans-98.8113166.117360.5000108.7I279 L281 K324 C339 I341 V388 A396I279-L322 HydrophobicContact CB-CB 4.3Å; I279-L322 HydrophobicContact CD1-CD2 4.26Å; I279-L322 PolarHBondContact N-O 2.93Å; I279-L322 PolarHBondContact O-N 3.45Å; L281-L322 HydrophobicContact CD1-CB 3.98Å; L322-K324 HydrophobicContact CD1-CG 4.48Å; L322-K324 HydrophobicContact CG-CG 4.23Å; L322-C339 HydrophobicContact CD1-CB 4.32Å; L322-I341 HydrophobicContact CD1-CG1 4.01Å; L322-V388 HydrophobicContact CD1-CG1 4.19Å; L322-V388 HydrophobicContact CD1-CG2 4.29Å; L322-V388 HydrophobicContact CD2-CG1 3.85Å; L322-V388 HydrophobicContact CD2-CG2 4.17Å; L322-A396 HydrophobicContact CD2-CB 3.74Å
323I98.1Very high93.8Very high0 Ų054.7 Ų54.70%029%0.285CS..EExtended strand (participates in β ladder)trans-102.2120.1180-57.792.1000107.8I240 L242 V276 I278 L321 C339 C340 I342I240-I323 HydrophobicContact CD1-CG2 4.25Å; L242-I323 HydrophobicContact CD1-CB 4.44Å; L242-I323 HydrophobicContact CD1-CD1 4.21Å; L242-I323 HydrophobicContact CD1-CG1 4Å; L242-I323 HydrophobicContact CD1-CG2 4.21Å; V276-I323 HydrophobicContact CG1-CG2 3.47Å; V276-I323 VanDerWaalsContact CG1-CG2 3.47Å; I278-I323 HydrophobicContact CD1-CG1 4.4Å; I278-I323 HydrophobicContact CG1-CG1 4.17Å; I278-I323 HydrophobicContact CG1-CG2 4.29Å; I278-I323 HydrophobicContact CG2-CG1 4.36Å; L321-I323 HydrophobicContact CB-CD1 3.82Å; L321-I323 WeakPolarHBondContact O-CD1 3.29Å; I323-C339 CarbonylContact O-C 3.54Å; I323-C339 WeakPolarHBondContact O-CA 3.46Å; I323-C339 WeakPolarHBondContact O-CB 3.44Å; I323-C340 PolarHBondContact N-O 3.26Å; I323-C340 PolarHBondContact O-N 3.03Å; I323-I342 HydrophobicContact CD1-CB 4.14Å; I323-I342 HydrophobicContact CD1-CD1 3.8Å; I323-I342 HydrophobicContact CD1-CG1 3.82Å
324K97.7Very high94Very high31 Ų3153.7 Ų53.714%0.13528%0.277CS..EExtended strand (participates in β ladder)trans-113.9127.1175.7-59.4-173.6176.6-160.40109.5V276 K277 I279 L322 M326 L336 C339 V388V276-K324 CarbonylContact C-O 3.5Å; V276-K324 WeakPolarHBondContact CA-O 3.11Å; K277-K324 HydrophobicContact CB-CB 4.38Å; K277-K324 PolarHBondContact N-O 2.89Å; K277-K324 PolarHBondContact O-N 2.84Å; I279-K324 HydrophobicContact CD1-CD 4.45Å; L322-K324 HydrophobicContact CD1-CG 4.48Å; L322-K324 HydrophobicContact CG-CG 4.23Å; K324-M326 HydrophobicContact CB-CG 4.22Å; K324-M326 HydrophobicContact CB-SD 3.77Å; K324-M326 HydrophobicContact CD-SD 4.17Å; K324-L336 HydrophobicContact CB-CD1 3.85Å; K324-L336 HydrophobicContact CD-CD1 4.16Å; K324-L336 HydrophobicContact CG-CD1 4.14Å; K324-C339 HydrophobicContact CG-CB 4.18Å; K324-V388 HydrophobicContact CD-CG2 4.46Å; K324-V388 VanDerWaalsContact CE-CG2 3.4Å
325V98Very high94.1Very high0 Ų052.4 Ų52.40%026%0.263CS..EExtended strand (participates in β ladder)trans-90121.1164.8-170.10000106.4I240 L263 P274 V276 L337 G338 L384I240-V325 HydrophobicContact CD1-CG2 3.82Å; L263-V325 HydrophobicContact CD1-CG1 3.88Å; L263-V325 HydrophobicContact CD2-CG1 3.96Å; P274-V325 HydrophobicContact CB-CG1 4.31Å; V276-V325 HydrophobicContact CG2-CG2 4.34Å; V325-L337 HydrophobicContact CB-CB 4.3Å; V325-L337 HydrophobicContact CG1-CB 4.18Å; V325-L337 HydrophobicContact CG1-CD1 4.04Å; V325-L337 WeakPolarHBondContact O-CB 3.38Å; V325-L337 PolarHBondContact O-N 3.44Å; V325-G338 PolarHBondContact N-O 2.85Å; V325-G338 PolarHBondContact O-N 3.37Å; V325-L384 HydrophobicContact CB-CD1 4.12Å; V325-L384 HydrophobicContact CG2-CD1 3.71Å; V325-L384 HydrophobicContact CG2-CD2 3.77Å; V325-L384 HydrophobicContact CG2-CG 4.43Å
326M97.4Very high94.1Very high20 Ų2054 Ų5410%0.09927%0.269CS..EExtended strand (participates in β ladder)trans-117147.1-173.1-58.2-64.4-52.200108.5P274 Y275 K277 K324 D334 D335 L336P274-M326 CarbonylContact C-O 3.55Å; P274-M326 WeakPolarHBondContact CA-O 3.44Å; Y275-M326 HydrophobicContact CD1-CB 3.81Å; Y275-M326 HydrophobicContact CD2-CB 4.34Å; Y275-M326 HydrophobicContact CE1-CB 3.33Å; Y275-M326 HydrophobicContact CE1-CG 4.18Å; Y275-M326 HydrophobicContact CE2-CB 3.88Å; Y275-M326 HydrophobicContact CE2-CG 3.89Å; Y275-M326 HydrophobicContact CG-CB 4.31Å; Y275-M326 PolarHBondContact N-O 2.93Å; Y275-M326 PolarHBondContact O-N 2.88Å; K277-M326 HydrophobicContact CB-CG 4.24Å; K324-M326 HydrophobicContact CB-CG 4.22Å; K324-M326 HydrophobicContact CB-SD 3.77Å; K324-M326 HydrophobicContact CD-SD 4.17Å; M326-D334 HydrophobicContact CE-CB 3.91Å; M326-D334 WeakPolarHBondContact CE-O 3.19Å; M326-D335 CarbonylContact C-O 3.49Å; M326-D335 VanDerWaalsContact CA-O 3.29Å; M326-D335 WeakPolarHBondContact CA-O 3.09Å; M326-D335 WeakPolarHBondContact CE-O 3.36Å; M326-L336 HydrophobicContact SD-CB 4.49Å; M326-L336 HydrophobicContact SD-CD1 3.67Å
327D96.6Very high94.3Very high0 Ų053.5 Ų53.50%027%0.267CS..EExtended strand (participates in β ladder)trans-90.5133.9164.4-167.718.4000109.6M266 S272 D273 D334 D335 L337M266-D327 HydrophobicContact CB-CB 4.31Å; M266-D327 WeakPolarHBondContact CB-OD2 3.33Å; S272-D327 WeakPolarHBondContact CB-OD1 3.48Å; D273-D327 WeakPolarHBondContact CA-OD1 3.34Å; D273-D327 PolarHBondContact N-OD1 3.32Å; D327-D334 VanDerWaalsContact O-CA 3.24Å; D327-D334 WeakPolarHBondContact O-CA 3.08Å; D327-D334 WeakPolarHBondContact O-CB 3.35Å; D327-D335 HydrophobicContact CB-CB 4.2Å; D327-D335 PolarHBondContact N-O 2.08Å; D327-D335 PolarHBondContact O-N 2.9Å; D327-L337 HydrophobicContact CB-CD1 4.05Å; D327-L337 HydrophobicContact CB-CD2 4.12Å; D327-L337 HydrophobicContact CB-CG 3.94Å
328W96.1Very high94.4Very high77 Ų7750.6 Ų50.629%0.29224%0.243SC..PPolyproline II helixtrans-90.8117178.317775.5000110.6D273 Y275 I294 R330D273-W328 HydrophobicContact CB-CB 4.11Å; D273-W328 HydrophobicContact CB-CE3 4.41Å; D273-W328 WeakPolarHBondContact O-CB 3.49Å; D273-W328 PolarHBondContact O-N 3.14Å; Y275-W328 HydrophobicContact CD1-CB 4.04Å; Y275-W328 HydrophobicContact CE1-CB 4.19Å; I294-W328 HydrophobicContact CD1-CB 3.94Å; I294-W328 HydrophobicContact CD1-CD2 4.04Å; I294-W328 HydrophobicContact CD1-CG 3.54Å; I294-W328 HydrophobicContact CG1-CB 4.13Å; I294-W328 HydrophobicContact CG1-CG 4.28Å; I294-W328 HydrophobicContact CG2-CB 3.97Å; I294-W328 HydrophobicContact CG2-CG 4.44Å; W328-R330 HydrophobicContact CH2-CB 3.88Å; W328-R330 HydrophobicContact CH2-CG 4.2Å; W328-R330 HydrophobicContact CZ3-CB 4.17Å
329D91.6Very high94.5Very high30 Ų3047.5 Ų47.516%0.1623%0.226CC..PPolyproline II helixtrans-99133.1176.8-69.4-75.4000111.7I331 D334 D335D329-I331 PolarHBondContact O-N 2.92Å; D329-D334 WeakPolarHBondContact OD2-CA 3.2Å; D329-D335 PolarHBondContact OD2-N 2.81Å
330R87.7Confident94.5Very high224 Ų22447.4 Ų47.485%0.84523%0.226SC*.SBendtrans-62.8-33.4173.5-174.6178.7179.6-174.80.3112.2W328W328-R330 HydrophobicContact CH2-CB 3.88Å; W328-R330 HydrophobicContact CH2-CG 4.2Å; W328-R330 HydrophobicContact CZ3-CB 4.17Å
331I84.9Confident94.5Very high154 Ų15447.4 Ų47.479%0.7923%0.226SC*.SBendtrans-134.3121.7-176.8-58176.3000108.1D329D329-I331 PolarHBondContact O-N 2.92Å
332G88.4Confident94.4Very high67 Ų6747.4 Ų47.469%0.69123%0.226SC*.SBendtrans113-153.3177.400000112.3
333R91.8Very high94.3Very high229 Ų22947.4 Ų47.486%0.86423%0.226SC*.  trans-105.8133174.7-60.1-179.5-164.1175.65.8107.4D335R333-D335 PolarHBondContact O-N 2.83Å
334D95Very high94.1Very high48 Ų4849.7 Ų49.726%0.25724%0.241SC..  trans-46.1128.7169.8-56.813.4000112.3Y275 M326 D327 D329Y275-D334 HydrophobicContact CE1-CB 4.38Å; Y275-D334 VanDerWaalsContact CE1-OD2 3.23Å; Y275-D334 WeakPolarHBondContact CE1-OD2 3.41Å; Y275-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y275-D334 PolarHBondContact OH-OD2 2.86Å; M326-D334 HydrophobicContact CE-CB 3.91Å; M326-D334 WeakPolarHBondContact CE-O 3.19Å; D327-D334 VanDerWaalsContact O-CA 3.24Å; D327-D334 WeakPolarHBondContact O-CA 3.08Å; D327-D334 WeakPolarHBondContact O-CB 3.35Å; D329-D334 WeakPolarHBondContact OD2-CA 3.2Å
335D94.1Very high93.9Very high66 Ų6651.8 Ų51.835%0.35325%0.254SS..  trans-79.8145.7178.2-79.4-36.3000113.1M266 M326 D327 D329 R333 L337M266-D335 HydrophobicContact CE-CB 3.91Å; M266-D335 WeakPolarHBondContact CE-OD2 3.45Å; M326-D335 CarbonylContact C-O 3.49Å; M326-D335 VanDerWaalsContact CA-O 3.29Å; M326-D335 WeakPolarHBondContact CA-O 3.09Å; M326-D335 WeakPolarHBondContact CE-O 3.36Å; D327-D335 HydrophobicContact CB-CB 4.2Å; D327-D335 PolarHBondContact N-O 2.08Å; D327-D335 PolarHBondContact O-N 2.9Å; D329-D335 PolarHBondContact OD2-N 2.81Å; R333-D335 PolarHBondContact O-N 2.83Å; D335-L337 PolarHBondContact O-N 3.5Å
336L94.8Very high93.7Very high48 Ų4852 Ų5225%0.25126%0.255SS..EExtended strand (participates in β ladder)trans-83.1113174-179.467.6000109.4K324 M326 G338K324-L336 HydrophobicContact CB-CD1 3.85Å; K324-L336 HydrophobicContact CD-CD1 4.16Å; K324-L336 HydrophobicContact CG-CD1 4.14Å; M326-L336 HydrophobicContact SD-CB 4.49Å; M326-L336 HydrophobicContact SD-CD1 3.67Å; L336-G338 WeakPolarHBondContact CD1-O 3.3Å
337L94.1Very high93.4Very high1 Ų154.6 Ų54.61%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-77.4-30.5172.8-66.6172.2000112Y237 L263 R264 M266 P274 V325 D327 D335Y237-L337 VanDerWaalsContact CD1-O 3.29Å; Y237-L337 WeakPolarHBondContact CD1-O 3.48Å; L263-L337 HydrophobicContact CD1-CD1 4.23Å; R264-L337 HydrophobicContact CB-CD2 4.33Å; R264-L337 VanDerWaalsContact O-CD2 3.3Å; R264-L337 WeakPolarHBondContact O-CD2 3.37Å; M266-L337 HydrophobicContact CB-CD2 4.2Å; M266-L337 HydrophobicContact CG-CD2 3.28Å; P274-L337 HydrophobicContact CB-CD1 3.88Å; V325-L337 HydrophobicContact CB-CB 4.3Å; V325-L337 HydrophobicContact CG1-CB 4.18Å; V325-L337 HydrophobicContact CG1-CD1 4.04Å; V325-L337 WeakPolarHBondContact O-CB 3.38Å; V325-L337 PolarHBondContact O-N 3.44Å; D327-L337 HydrophobicContact CB-CD1 4.05Å; D327-L337 HydrophobicContact CB-CD2 4.12Å; D327-L337 HydrophobicContact CB-CG 3.94Å; D335-L337 PolarHBondContact O-N 3.5Å
338G94.4Very high92.9Very high0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans163.2175.1175.800000111.7V325 L336 L385V325-G338 PolarHBondContact N-O 2.85Å; V325-G338 PolarHBondContact O-N 3.37Å; L336-G338 WeakPolarHBondContact CD1-O 3.3Å; G338-L385 CarbonylContact C-O 3.54Å; G338-L385 VanDerWaalsContact CA-O 3.25Å; G338-L385 WeakPolarHBondContact CA-O 3.41Å
339C96Very high92.5Very high0 Ų058.3 Ų58.30%029%0.289CS..EExtended strand (participates in β ladder)trans-147.9161179.972.60000113.8L322 I323 K324 L385 D387L322-C339 HydrophobicContact CD1-CB 4.32Å; I323-C339 CarbonylContact O-C 3.54Å; I323-C339 WeakPolarHBondContact O-CA 3.46Å; I323-C339 WeakPolarHBondContact O-CB 3.44Å; K324-C339 HydrophobicContact CG-CB 4.18Å; C339-L385 PolarHBondContact N-O 3.33Å; C339-L385 VanDerWaalsContact O-CB 3.32Å; C339-L385 WeakPolarHBondContact O-CB 3.32Å; C339-L385 PolarHBondContact O-N 2.86Å; C339-D387 PolarHBondContact SG-O 3.17Å; C339-D387 VanDerWaalsContact SG-O 3.41Å
340C95.7Very high92.2Very high0 Ų059.1 Ų59.10%029%0.292CS..EExtended strand (participates in β ladder)trans-138.9164.6165.765.80000110.1I323 H382I323-C340 PolarHBondContact N-O 3.26Å; I323-C340 PolarHBondContact O-N 3.03Å; C340-H382 HydrophobicContact CB-CB 3.84Å
341I96.5Very high92.4Very high0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-120.4133.9176.8-61.5154.1000107.9N320 L321 L322 S346 G351 P389 F392N320-I341 HydrophobicContact CB-CG2 4.4Å; L321-I341 VanDerWaalsContact O-CA 3.31Å; L321-I341 WeakPolarHBondContact O-CA 3.19Å; L322-I341 HydrophobicContact CD1-CG1 4.01Å; I341-S346 VanDerWaalsContact O-CB 3.31Å; I341-S346 WeakPolarHBondContact O-CB 3.28Å; I341-S346 PolarHBondContact O-OG 2.8Å; I341-G351 VanDerWaalsContact O-CA 3.31Å; I341-G351 WeakPolarHBondContact O-CA 3.28Å; I341-P389 HydrophobicContact CD1-CB 4.3Å; I341-P389 HydrophobicContact CD1-CG 3.63Å; I341-F392 HydrophobicContact CD1-CD1 4.14Å; I341-F392 HydrophobicContact CD1-CD2 3.52Å; I341-F392 HydrophobicContact CD1-CE1 4.17Å; I341-F392 HydrophobicContact CD1-CE2 3.55Å; I341-F392 HydrophobicContact CD1-CG 3.83Å; I341-F392 HydrophobicContact CD1-CZ 3.87Å; I341-F392 HydrophobicContact CG1-CD1 4.4Å; I341-F392 HydrophobicContact CG1-CE1 4.39Å; I341-F392 HydrophobicContact CG1-CG 4.49Å; I341-F392 HydrophobicContact CG1-CZ 4.46Å; I341-F392 HydrophobicContact CG2-CE1 3.86Å; I341-F392 HydrophobicContact CG2-CZ 3.82Å
342I96Very high92.7Very high0 Ų045.6 Ų45.60%023%0.231CC..EExtended strand (participates in β ladder)trans-119.3121.4170.1-62.8170.9000107L242 V244 L321 I323 W355L242-I342 HydrophobicContact CB-CD1 4.3Å; L242-I342 HydrophobicContact CD1-CD1 3.54Å; V244-I342 HydrophobicContact CG2-CD1 3.9Å; V244-I342 HydrophobicContact CG2-CG2 4.45Å; L321-I342 HydrophobicContact CB-CB 4.39Å; L321-I342 PolarHBondContact N-O 3.38Å; L321-I342 PolarHBondContact O-N 3.37Å; I323-I342 HydrophobicContact CD1-CB 4.14Å; I323-I342 HydrophobicContact CD1-CD1 3.8Å; I323-I342 HydrophobicContact CD1-CG1 3.82Å; I342-W355 HydrophobicContact CG2-CB 4.05Å; I342-W355 HydrophobicContact CG2-CE3 3.81Å
343G95.1Very high92.8Very high0 Ų045.1 Ų45.10%021%0.211CC..SBendtrans157.2174.1-173.100000112.8N320 D345 S346 G351N320-G343 WeakPolarHBondContact OD1-CA 3.41Å; G343-D345 PolarHBondContact O-N 2.87Å; G343-S346 WeakPolarHBondContact O-CB 3.49Å; G343-S346 PolarHBondContact O-N 3.22Å; G343-G351 PolarHBondContact N-O 2.86Å
344P93.8Very high92.8Very high49 Ų4934.2 Ų34.232%0.31817%0.169SC..THydrogen-bonded Turntrans-60.8-33.4179.627.7-35000112.1A317 T319 N320 S346A317-P344 WeakPolarHBondContact O-CG 3.11Å; T319-P344 WeakPolarHBondContact O-CD 3.32Å; N320-P344 WeakPolarHBondContact OD1-CD 3.48Å; P344-S346 VanDerWaalsContact C-N 3.34Å
345D94.2Very high92.7Very high75 Ų7532.7 Ų32.740%0.40116%0.16SC..THydrogen-bonded Turntrans-96.114.2-176.8-52.4-43.9000112.1H284 N320 G343 V347 F392H284-D345 IonicContact CE1-OD2 3.96Å; N320-D345 PolarHBondContact ND2-OD2 3.47Å; N320-D345 WeakPolarHBondContact OD1-CB 3.31Å; N320-D345 PolarHBondContact OD1-N 3.33Å; G343-D345 PolarHBondContact O-N 2.87Å; D345-V347 PolarHBondContact O-N 3.02Å; D345-F392 HydrophobicContact CB-CE2 4.49Å; D345-F392 HydrophobicContact CB-CZ 3.83Å
346S93.9Very high92.4Very high4 Ų433.8 Ų33.83%0.02816%0.164CC..  trans-62.7135.2178.4-175.90000111.1I341 G343 P344 T348 R352I341-S346 VanDerWaalsContact O-CB 3.31Å; I341-S346 WeakPolarHBondContact O-CB 3.28Å; I341-S346 PolarHBondContact O-OG 2.8Å; G343-S346 WeakPolarHBondContact O-CB 3.49Å; G343-S346 PolarHBondContact O-N 3.22Å; P344-S346 VanDerWaalsContact C-N 3.34Å; S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.88Å; S346-T348 PolarHBondContact OG-N 3.47Å; S346-T348 PolarHBondContact OG-O 2.9Å; S346-T348 PolarHBondContact OG-OG1 2.94Å; S346-R352 WeakPolarHBondContact O-CG 3.06Å; S346-R352 PolarHBondContact O-NH1 3.22Å
347V91.3Very high92Very high75 Ų7534.6 Ų34.646%0.45517%0.169SC..SBendtrans-69.9-26.3176.6-59.50000112D345 R352 L385 P389D345-V347 PolarHBondContact O-N 3.02Å; V347-R352 PolarHBondContact O-NH1 3.11Å; V347-L385 HydrophobicContact CG2-CD1 3.57Å; V347-P389 HydrophobicContact CG1-CB 3.99Å; V347-P389 HydrophobicContact CG1-CG 3.97Å; V347-P389 HydrophobicContact CG2-CG 3.99Å
348T86.6Confident91.5Very high27 Ų2734.6 Ų34.617%0.16617%0.169CC..SBendtrans-94.2150.3179.365.60000110.9S346 E350 G351 R352 L385S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.88Å; S346-T348 PolarHBondContact OG-N 3.47Å; S346-T348 PolarHBondContact OG-O 2.9Å; S346-T348 PolarHBondContact OG-OG1 2.94Å; T348-E350 WeakPolarHBondContact CB-OE2 3.38Å; T348-G351 PolarHBondContact OG1-N 2.99Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NH1 3.28Å; T348-L385 HydrophobicContact CG2-CD2 4.34Å
349R87.1Confident90.4Very high127 Ų12741.3 Ų41.348%0.47919%0.194SC..Hα-helixtrans-66.8-43.3179.2176.8-178.8170.1-149.7-11.4110.3G351 R352 E353R349-G351 VanDerWaalsContact C-N 3.29Å; R349-G351 PolarHBondContact O-N 2.91Å; R349-R352 PolarHBondContact O-N 2.82Å; R349-R352 VanDerWaalsContact O-N 3.07Å; R349-E353 HydrophobicContact CG-CG 4.16Å; R349-E353 IonicContact CZ-OE1 3.22Å; R349-E353 IonicContact CZ-OE2 3.67Å; R349-E353 IonicContact NE-OE1 3.87Å; R349-E353 PolarHBondContact NE-OE1 2.86Å; R349-E353 IonicContact NE-OE2 2.78Å; R349-E353 IonicContact NH2-OE1 3.78Å; R349-E353 PolarHBondContact NH2-OE1 3.01Å; R349-E353 IonicContact NH2-OE2 2.7Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 3.25Å
350E84.3Confident88.8Confident48 Ų4848 Ų4822%0.22422%0.22CC..Hα-helixtrans-57.2-43178.7-58.178.5-174.200110.8T348 R352 E353 Q354 M380T348-E350 WeakPolarHBondContact CB-OE2 3.38Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.88Å; E350-E353 PolarHBondContact O-N 3.02Å; E350-Q354 WeakPolarHBondContact O-CB 3.4Å; E350-Q354 PolarHBondContact O-N 2.83Å; E350-M380 HydrophobicContact CB-SD 3.78Å
351G91.8Very high87Confident0 Ų052 Ų520%024%0.238CC..Hα-helixtrans-62-37.2176.300000113.6I341 G343 T348 R349I341-G351 VanDerWaalsContact O-CA 3.31Å; I341-G351 WeakPolarHBondContact O-CA 3.28Å; G343-G351 PolarHBondContact N-O 2.86Å; T348-G351 PolarHBondContact OG1-N 2.99Å; R349-G351 VanDerWaalsContact C-N 3.29Å; R349-G351 PolarHBondContact O-N 2.91Å
352R93.1Very high84.9Confident94 Ų9453 Ų5336%0.35524%0.244SC..Hα-helixtrans-76.1-44.6175.8-62.6-171-61.8-86.30.4111.3S346 V347 T348 R349 E350 W355 M356S346-R352 WeakPolarHBondContact O-CG 3.06Å; S346-R352 PolarHBondContact O-NH1 3.22Å; V347-R352 PolarHBondContact O-NH1 3.11Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NH1 3.28Å; R349-R352 PolarHBondContact O-N 2.82Å; R349-R352 VanDerWaalsContact O-N 3.07Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.88Å; R352-W355 PolarHBondContact O-N 2.71Å; R352-M356 HydrophobicContact CB-CE 4.22Å; R352-M356 WeakPolarHBondContact O-CG 3.43Å; R352-M356 PolarHBondContact O-N 2.79Å
353E89.9Confident82.9Confident57 Ų5757.6 Ų57.627%0.26627%0.269SS..Hα-helixtrans-63.4-46-179.2-74.9-177.9163.300112.2R349 E350 W355 M356 N357 M380R349-E353 HydrophobicContact CG-CG 4.16Å; R349-E353 IonicContact CZ-OE1 3.22Å; R349-E353 IonicContact CZ-OE2 3.67Å; R349-E353 IonicContact NE-OE1 3.87Å; R349-E353 PolarHBondContact NE-OE1 2.86Å; R349-E353 IonicContact NE-OE2 2.78Å; R349-E353 IonicContact NH2-OE1 3.78Å; R349-E353 PolarHBondContact NH2-OE1 3.01Å; R349-E353 IonicContact NH2-OE2 2.7Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 3.25Å; E350-E353 PolarHBondContact O-N 3.02Å; E353-W355 VanDerWaalsContact C-N 3.25Å; E353-W355 PolarHBondContact O-N 3.16Å; E353-M356 HydrophobicContact CG-CE 4.1Å; E353-M356 PolarHBondContact O-N 2.85Å; E353-N357 WeakPolarHBondContact O-CB 3.12Å; E353-N357 VanDerWaalsContact O-CG 3.23Å; E353-N357 PolarHBondContact O-N 3.2Å; E353-M380 HydrophobicContact CB-CE 4.45Å
354Q90.4Very high80.8Confident0 Ų063.7 Ų63.70%030%0.301CS..Hα-helixtrans-61.4-37.6176.7-165.2175.125.400112L242 V244 E350 C358 N378 M380 H382L242-Q354 PolarHBondContact O-NE2 3.36Å; V244-Q354 HydrophobicContact CB-CG 4.34Å; V244-Q354 HydrophobicContact CG2-CG 4.29Å; E350-Q354 WeakPolarHBondContact O-CB 3.4Å; E350-Q354 PolarHBondContact O-N 2.83Å; Q354-C358 VanDerWaalsContact O-CB 3.3Å; Q354-C358 WeakPolarHBondContact O-CB 3.48Å; Q354-C358 PolarHBondContact O-N 2.88Å; Q354-N378 PolarHBondContact NE2-O 3.49Å; Q354-N378 PolarHBondContact O-ND2 2.81Å; Q354-M380 HydrophobicContact CB-CB 4.45Å; Q354-M380 HydrophobicContact CB-CE 4.21Å; Q354-M380 HydrophobicContact CB-SD 3.8Å; Q354-M380 HydrophobicContact CG-CB 4.18Å; Q354-H382 PolarHBondContact OE1-NE2 2.89Å
355W93Very high78.7Confident15 Ų1565.3 Ų65.36%0.05731%0.314CS..Hα-helixtrans-66.6-43.5176-170-107.8000112.1L253 L311 M316 T319 L321 I342 R352 E353 C358 R359L253-W355 HydrophobicContact CD1-CH2 4.34Å; L253-W355 HydrophobicContact CD1-CZ3 4.04Å; L253-W355 HydrophobicContact CD2-CH2 3.91Å; L253-W355 HydrophobicContact CD2-CZ3 3.83Å; L311-W355 HydrophobicContact CD2-CH2 4.02Å; L311-W355 HydrophobicContact CD2-CZ2 4.46Å; M316-W355 WeakPolarHBondContact O-CZ2 3.23Å; M316-W355 PolarHBondContact O-NE1 2.8Å; T319-W355 HydrophobicContact CG2-CH2 3.95Å; T319-W355 HydrophobicContact CG2-CZ2 4.24Å; T319-W355 WeakPolarHBondContact O-CZ2 3.07Å; L321-W355 HydrophobicContact CD1-CZ3 4.34Å; L321-W355 HydrophobicContact CG-CZ3 4.22Å; I342-W355 HydrophobicContact CG2-CB 4.05Å; I342-W355 HydrophobicContact CG2-CE3 3.81Å; R352-W355 PolarHBondContact O-N 2.71Å; E353-W355 VanDerWaalsContact C-N 3.25Å; E353-W355 PolarHBondContact O-N 3.16Å; W355-C358 WeakPolarHBondContact O-CB 3.41Å; W355-C358 PolarHBondContact O-N 2.79Å; W355-R359 PolarHBondContact O-N 2.76Å
356M89.6Confident76.4Confident89 Ų8966.5 Ų66.544%0.43833%0.328SS..Hα-helixtrans-62.9-47.1175.7-73.5-173.9-71.700111.4R352 E353 C358 R359 Y360R352-M356 HydrophobicContact CB-CE 4.22Å; R352-M356 WeakPolarHBondContact O-CG 3.43Å; R352-M356 PolarHBondContact O-N 2.79Å; E353-M356 HydrophobicContact CG-CE 4.1Å; E353-M356 PolarHBondContact O-N 2.85Å; M356-C358 VanDerWaalsContact C-N 3.3Å; M356-C358 PolarHBondContact O-N 3.06Å; M356-R359 WeakPolarHBondContact O-CA 3.35Å; M356-R359 WeakPolarHBondContact O-CB 3.2Å; M356-R359 PolarHBondContact O-N 2.82Å; M356-Y360 HydrophobicContact CB-CD2 4.45Å; M356-Y360 HydrophobicContact CB-CE2 4.2Å; M356-Y360 WeakPolarHBondContact O-CD2 3.4Å; M356-Y360 PolarHBondContact O-N 2.87Å
357N86.2Confident74Confident65 Ų6569.8 Ų69.835%0.34836%0.356SS..Hα-helixtrans-60.4-41.3178.7-69.4-9.7000111.4E353 R359 Y360 F361E353-N357 WeakPolarHBondContact O-CB 3.12Å; E353-N357 VanDerWaalsContact O-CG 3.23Å; E353-N357 PolarHBondContact O-N 3.2Å; N357-R359 PolarHBondContact O-N 2.91Å; N357-Y360 PolarHBondContact O-N 2.81Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; N357-F361 HydrophobicContact CB-CD2 4.43Å; N357-F361 HydrophobicContact CB-CE2 4.28Å; N357-F361 WeakPolarHBondContact O-CD2 3.33Å; N357-F361 PolarHBondContact O-N 3.21Å
358C83.2Confident71.3Confident2 Ų270.5 Ų70.51%0.01438%0.378CS..Hα-helixtrans-54.9-37.3174.3-179.30000112.4V244 K245 F246 Q354 W355 M356V244-C358 HydrophobicContact CG1-CB 4.24Å; K245-C358 VanDerWaalsContact C-SG 3.52Å; F246-C358 VanDerWaalsContact CB-SG 3.59Å; F246-C358 PolarHBondContact N-SG 2.82Å; Q354-C358 VanDerWaalsContact O-CB 3.3Å; Q354-C358 WeakPolarHBondContact O-CB 3.48Å; Q354-C358 PolarHBondContact O-N 2.88Å; W355-C358 WeakPolarHBondContact O-CB 3.41Å; W355-C358 PolarHBondContact O-N 2.79Å; M356-C358 VanDerWaalsContact C-N 3.3Å; M356-C358 PolarHBondContact O-N 3.06Å
359R71.4Confident68.9Low141 Ų14173.8 Ų73.853%0.53240%0.402SS..Hα-helixtrans-72.5-45.2175.6-173.9-178.7174.5177.1-0.4112.1W355 M356 N357 F361 T362 D363W355-R359 PolarHBondContact O-N 2.76Å; M356-R359 WeakPolarHBondContact O-CA 3.35Å; M356-R359 WeakPolarHBondContact O-CB 3.2Å; M356-R359 PolarHBondContact O-N 2.82Å; N357-R359 PolarHBondContact O-N 2.91Å; R359-F361 PolarHBondContact O-N 2.91Å; R359-T362 PolarHBondContact O-N 3.04Å; R359-T362 VanDerWaalsContact O-N 3.12Å; R359-T362 PolarHBondContact O-OG1 3Å; R359-D363 PolarHBondContact O-N 2.86Å
360Y62.2Low66.1Low139 Ų13977.6 Ų77.655%0.54543%0.425SS..Hα-helixtrans-68.3-34.1-177.9-71.4-65.8000113.8M356 N357 T362 D363 N364M356-Y360 HydrophobicContact CB-CD2 4.45Å; M356-Y360 HydrophobicContact CB-CE2 4.2Å; M356-Y360 WeakPolarHBondContact O-CD2 3.4Å; M356-Y360 PolarHBondContact O-N 2.87Å; N357-Y360 PolarHBondContact O-N 2.81Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; Y360-T362 PolarHBondContact O-N 3Å; Y360-D363 PolarHBondContact O-N 3.43Å; Y360-N364 PolarHBondContact O-N 3.44Å
361F57.1Low63.7Low86 Ų8678.7 Ų78.738%0.37744%0.438SS..Hα-helixtrans-59.8-27173.8-82.6-66.8000112.2N357 R359 S365 V377 N378N357-F361 HydrophobicContact CB-CD2 4.43Å; N357-F361 HydrophobicContact CB-CE2 4.28Å; N357-F361 WeakPolarHBondContact O-CD2 3.33Å; N357-F361 PolarHBondContact O-N 3.21Å; R359-F361 PolarHBondContact O-N 2.91Å; F361-S365 WeakPolarHBondContact O-CB 3.25Å; F361-S365 PolarHBondContact O-N 3.42Å; F361-S365 PolarHBondContact O-OG 2.97Å; F361-V377 HydrophobicContact CZ-CB 4.36Å; F361-V377 HydrophobicContact CZ-CG1 4.25Å; F361-N378 HydrophobicContact CE2-CB 4.28Å
362T53.1Low60.8Low21 Ų2184.6 Ų84.613%0.12948%0.48CS..Hα-helixtrans-78.8-33.8178.160.50000114F246 P248 R359 Y360F246-T362 HydrophobicContact CB-CG2 3.98Å; F246-T362 HydrophobicContact CD1-CG2 4.01Å; F246-T362 HydrophobicContact CG-CG2 4.45Å; F246-T362 WeakPolarHBondContact O-CG2 3.47Å; P248-T362 HydrophobicContact CG-CG2 3.82Å; R359-T362 PolarHBondContact O-N 3.04Å; R359-T362 VanDerWaalsContact O-N 3.12Å; R359-T362 PolarHBondContact O-OG1 3Å; Y360-T362 PolarHBondContact O-N 3Å
363D53.4Low58Low95 Ų9587 Ų8751%0.50850%0.5SS..Hα-helixtrans-72.2-32.1-180-68.1-24.1000112R359 Y360 S366R359-D363 PolarHBondContact O-N 2.86Å; Y360-D363 PolarHBondContact O-N 3.43Å; D363-S366 PolarHBondContact O-OG 2.91Å
364N50.6Low55.6Low128 Ų12890 Ų9068%0.68451%0.513SS*.Hα-helixtrans-88.1-19.4-178.7-73.7-16.7000114.2Y360 S366 A367Y360-N364 PolarHBondContact O-N 3.44Å; N364-S366 PolarHBondContact O-N 3.21Å; N364-A367 PolarHBondContact O-N 3.45Å
365S49.6Very low53Low83 Ų8393.3 Ų93.358%0.5855%0.548SS*.THydrogen-bonded Turntrans-73.6-12-179.9-620000113.7F361 A367F361-S365 WeakPolarHBondContact O-CB 3.25Å; F361-S365 PolarHBondContact O-N 3.42Å; F361-S365 PolarHBondContact O-OG 2.97Å; S365-A367 VanDerWaalsContact C-N 3.31Å
366S47.6Very low50.8Low100 Ų10098.4 Ų98.470%0.69958%0.576SS**THydrogen-bonded Turntrans-77.5-8.7171.428.10000114.6D363 N364D363-S366 PolarHBondContact O-OG 2.91Å; N364-S366 PolarHBondContact O-N 3.21Å
367A43.7Very low49.3Very low74 Ų7498.6 Ų98.661%0.61258%0.582SS**SBendtrans-100.1109.3174.200000109.5N364 S365 S369N364-A367 PolarHBondContact O-N 3.45Å; S365-A367 VanDerWaalsContact C-N 3.31Å; A367-S369 PolarHBondContact O-N 3.11Å
368G32.6Very low48.6Very low89 Ų8996.4 Ų96.492%0.91857%0.57SS**  trans-51.5108.8-171.800000114.4
369S36.4Very low48.5Very low97 Ų9797 Ų9768%0.67858%0.576SS**  trans-138.7111.2159-168.40000108.8A367 S371A367-S369 PolarHBondContact O-N 3.11Å; S369-S371 PolarHBondContact O-N 3.35Å; S369-S371 VanDerWaalsContact O-N 3.1Å
370Q29.1Very low49.2Very low206 Ų20691.9 Ų91.996%0.96356%0.559SS**  trans-71.796.1173.6-69.6177.7-6.100108.3
371S33.3Very low50.2Low72 Ų7285.7 Ų85.750%0.50353%0.534SS..  trans-129.6111.6167.7173.90000109.1S369 N373 H374S369-S371 PolarHBondContact O-N 3.35Å; S369-S371 VanDerWaalsContact O-N 3.1Å; S371-N373 PolarHBondContact O-N 3.26Å; S371-H374 PolarHBondContact O-CD2 2.67Å
372S30.6Very low51.7Low124 Ų12481.8 Ų81.887%0.86752%0.517SS*.THydrogen-bonded Turntrans-78.432.5-165.7500000115.7
373N34.4Very low53.3Low145 Ų14582.8 Ų82.878%0.77553%0.525SS*.THydrogen-bonded Turntrans-126.419.8178.5-94.5-5.2000115.1S371 G375S371-N373 PolarHBondContact O-N 3.26Å; N373-G375 PolarHBondContact O-N 2.9Å
374H39.5Very low55.1Low118 Ų11878.8 Ų78.855%0.54650%0.504SS..THydrogen-bonded Turntrans-68.714.5-169.9-95.8-69.2000118.1S371S371-H374 PolarHBondContact O-CD2 2.67Å
375G35.5Very low57Low71 Ų7174.5 Ų74.573%0.73248%0.48SS*.THydrogen-bonded Turntrans-88.5-23.8-165.700000118N373N373-G375 PolarHBondContact O-N 2.9Å
376L48.3Very low58.9Low122 Ų12273.9 Ų73.964%0.63948%0.475SS*.SBendtrans-138.711.4-161.8-82.3154.8000115.5Y243 N378Y243-L376 HydrophobicContact CD1-CD2 3.83Å; Y243-L376 HydrophobicContact CE1-CB 4.33Å; Y243-L376 HydrophobicContact CE1-CD2 3.38Å; Y243-L376 HydrophobicContact CE1-CG 4.47Å; Y243-L376 WeakPolarHBondContact CE1-O 3.26Å; Y243-L376 HydrophobicContact CE2-CD2 4.32Å; Y243-L376 HydrophobicContact CG-CD2 4.49Å; L376-N378 VanDerWaalsContact C-N 3.29Å; L376-N378 PolarHBondContact O-N 2.67Å
377V57.2Low60.9Low93 Ų9372.3 Ų72.356%0.56446%0.458SS*.THydrogen-bonded Turntrans-77.6-3-166.2-153.80000114.8F361F361-V377 HydrophobicContact CZ-CB 4.36Å; F361-V377 HydrophobicContact CZ-CG1 4.25Å
378N71.8Confident63.2Low19 Ų1968.9 Ų68.910%0.10243%0.43CS..THydrogen-bonded Turntrans-118.836.6178.3-162.325.8000113Y243 V244 Q354 F361 L376Y243-N378 WeakPolarHBondContact CA-O 3.46Å; V244-N378 PolarHBondContact O-ND2 3.33Å; Q354-N378 PolarHBondContact NE2-O 3.49Å; Q354-N378 PolarHBondContact O-ND2 2.81Å; F361-N378 HydrophobicContact CE2-CB 4.28Å; L376-N378 VanDerWaalsContact C-N 3.29Å; L376-N378 PolarHBondContact O-N 2.67Å
379G81.3Confident66Low14 Ų1465.8 Ų65.814%0.14439%0.394CS..EExtended strand (participates in β ladder)trans-75.2125.9171.100000110.1L242 Y243L242-G379 WeakPolarHBondContact O-CA 3.2Å; Y243-G379 VanDerWaalsContact CD1-N 3.3Å
380M85Confident68.3Low34 Ų3467.2 Ų67.217%0.16739%0.393CS..EExtended strand (participates in β ladder)trans-140.3137.9176.6-169.5175.2-72.500110.4L242 E350 E353 Q354 H382L242-M380 PolarHBondContact N-O 2.87Å; L242-M380 PolarHBondContact O-N 3.06Å; E350-M380 HydrophobicContact CB-SD 3.78Å; E353-M380 HydrophobicContact CB-CE 4.45Å; Q354-M380 HydrophobicContact CB-CB 4.45Å; Q354-M380 HydrophobicContact CB-CE 4.21Å; Q354-M380 HydrophobicContact CB-SD 3.8Å; Q354-M380 HydrophobicContact CG-CB 4.18Å; M380-H382 PolarHBondContact O-CD2 3.46Å
381W84.5Confident71Confident9 Ų963 Ų633%0.03438%0.377CS..EExtended strand (participates in β ladder)trans-82.3138.9171.7-73.896000111.7M187 R210 D239 I240 L241 R259M187-W381 HydrophobicContact CE-CH2 3.75Å; M187-W381 HydrophobicContact CE-CZ2 3.92Å; M187-W381 HydrophobicContact CE-CZ3 4.3Å; M187-W381 HydrophobicContact CG-CZ2 4.12Å; M187-W381 HydrophobicContact SD-CD2 4.1Å; M187-W381 HydrophobicContact SD-CE3 4.37Å; M187-W381 HydrophobicContact SD-CH2 3.9Å; M187-W381 HydrophobicContact SD-CZ2 3.58Å; M187-W381 VanDerWaalsContact SD-CZ2 3.58Å; M187-W381 HydrophobicContact SD-CZ3 4.29Å; R210-W381 HydrophobicContact CB-CG 4.32Å; R210-W381 HydrophobicContact CG-CG 4.24Å; D239-W381 HydrophobicContact CB-CE3 3.75Å; D239-W381 HydrophobicContact CB-CZ3 4.08Å; I240-W381 VanDerWaalsContact C-CE3 3.43Å; I240-W381 CarbonylContact O-C 3.56Å; I240-W381 WeakPolarHBondContact O-CA 3.38Å; L241-W381 HydrophobicContact CB-CD2 3.8Å; L241-W381 HydrophobicContact CB-CE3 3.8Å; L241-W381 HydrophobicContact CB-CH2 3.94Å; L241-W381 HydrophobicContact CB-CZ2 3.92Å; L241-W381 HydrophobicContact CB-CZ3 3.87Å; L241-W381 HydrophobicContact CD1-CD2 4.28Å; L241-W381 HydrophobicContact CD1-CG 4.2Å; L241-W381 HydrophobicContact CD2-CZ2 4.13Å; R259-W381 HydrophobicContact CG-CH2 3.84Å; R259-W381 HydrophobicContact CG-CZ2 4.37Å
382H87.9Confident73.7Confident3 Ų359.8 Ų59.81%0.01435%0.354CS..EExtended strand (participates in β ladder)trans-121.5124.6173-65.8-94.1000109.5D239 I240 C340 Q354 M380D239-H382 CarbonylContact C-O 3.57Å; D239-H382 VanDerWaalsContact CA-O 3.3Å; D239-H382 WeakPolarHBondContact CA-O 3.33Å; I240-H382 HydrophobicContact CG2-CB 4.02Å; I240-H382 PolarHBondContact N-O 2.91Å; I240-H382 PolarHBondContact O-N 3.48Å; C340-H382 HydrophobicContact CB-CB 3.84Å; Q354-H382 PolarHBondContact OE1-NE2 2.89Å; M380-H382 PolarHBondContact O-CD2 3.46Å
383S86.4Confident76.2Confident43 Ų4359 Ų5930%0.30133%0.332SS..EExtended strand (participates in β ladder)trans-69.4131.8166.6-62.70000109.9R210 D239R210-S383 PolarHBondContact NH2-OG 3.03Å; R210-S383 VanDerWaalsContact NH2-OG 3.12Å; D239-S383 WeakPolarHBondContact OD1-CA 3.38Å; D239-S383 WeakPolarHBondContact OD1-CB 3.2Å; D239-S383 PolarHBondContact OD1-OG 2.99Å
384L91.2Very high78Confident10 Ų1062.8 Ų62.85%0.05234%0.336CS..PPolyproline II helixtrans-77.3131.1-175.8-65172.1000110.3Y237 G238 I240 L263 V325Y237-L384 WeakPolarHBondContact O-CD1 3.26Å; G238-L384 VanDerWaalsContact O-CB 3.28Å; G238-L384 WeakPolarHBondContact O-CB 3.13Å; G238-L384 WeakPolarHBondContact O-CG 3.27Å; G238-L384 PolarHBondContact O-N 3.39Å; I240-L384 HydrophobicContact CB-CD2 4.32Å; I240-L384 HydrophobicContact CG2-CD2 3.72Å; I240-L384 HydrophobicContact CG2-CG 4.45Å; L263-L384 HydrophobicContact CD2-CD1 3.67Å; V325-L384 HydrophobicContact CB-CD1 4.12Å; V325-L384 HydrophobicContact CG2-CD1 3.71Å; V325-L384 HydrophobicContact CG2-CD2 3.77Å; V325-L384 HydrophobicContact CG2-CG 4.43Å
385L90.4Very high79.5Confident38 Ų3857.7 Ų57.720%0.19931%0.313CS..BIsolated β-bridgetrans-76.6148.3171.4-57.7174.6000110G338 C339 V347 T348 D387 P389G338-L385 CarbonylContact C-O 3.54Å; G338-L385 VanDerWaalsContact CA-O 3.25Å; G338-L385 WeakPolarHBondContact CA-O 3.41Å; C339-L385 PolarHBondContact N-O 3.33Å; C339-L385 VanDerWaalsContact O-CB 3.32Å; C339-L385 WeakPolarHBondContact O-CB 3.32Å; C339-L385 PolarHBondContact O-N 2.86Å; V347-L385 HydrophobicContact CG2-CD1 3.57Å; T348-L385 HydrophobicContact CG2-CD2 4.34Å; L385-D387 PolarHBondContact O-N 3Å; L385-P389 HydrophobicContact CD1-CG 3.78Å
386P89.3Confident80.5Confident71 Ų7155.2 Ų55.246%0.46129%0.286SS..SBendtrans-55.9-37.9178.519.1-33.6000114Y237Y237-P386 HydrophobicContact CD2-CB 4.07Å; Y237-P386 HydrophobicContact CE1-CB 3.93Å; Y237-P386 VanDerWaalsContact CE2-CA 3.48Å; Y237-P386 HydrophobicContact CE2-CB 3.36Å; Y237-P386 HydrophobicContact CE2-CG 4.2Å; Y237-P386 VanDerWaalsContact CZ-CA 3.41Å; Y237-P386 WeakPolarHBondContact OH-CB 3.01Å
387D90.5Very high80.7Confident66 Ų6660.1 Ų60.135%0.35330%0.302SS..SBendtrans-157.1163.5-174.9-168.911.1000109.2C339 L385 P389 R393C339-D387 PolarHBondContact SG-O 3.17Å; C339-D387 VanDerWaalsContact SG-O 3.41Å; L385-D387 PolarHBondContact O-N 3Å; D387-P389 WeakPolarHBondContact O-CD 3.31Å; D387-R393 IonicContact OD2-CZ 2.74Å; D387-R393 IonicContact OD2-NE 2.59Å; D387-R393 PolarHBondContact OD2-NE 3.42Å; D387-R393 IonicContact OD2-NH2 3.36Å; D387-R393 PolarHBondContact OD2-NH2 3.24Å
388V92.4Very high81.8Confident3 Ų358.5 Ų58.52%0.01829%0.289CS..  trans-60.2125.1176.6-176.80000109.2L322 K324 F392 R393L322-V388 HydrophobicContact CD1-CG1 4.19Å; L322-V388 HydrophobicContact CD1-CG2 4.29Å; L322-V388 HydrophobicContact CD2-CG1 3.85Å; L322-V388 HydrophobicContact CD2-CG2 4.17Å; K324-V388 HydrophobicContact CD-CG2 4.46Å; K324-V388 VanDerWaalsContact CE-CG2 3.4Å; V388-F392 HydrophobicContact CG1-CB 3.5Å; V388-R393 HydrophobicContact CB-CG 4.07Å; V388-R393 HydrophobicContact CG1-CG 4.15Å; V388-R393 WeakPolarHBondContact O-CG 3.36Å; V388-R393 PolarHBondContact O-NE 2.97Å
389P90Very high82.4Confident24 Ų2460.6 Ų60.616%0.15630%0.299CS..  trans-53.6148174.9-30.438.3000112.7I341 V347 L385 D387 D391 F392 R393I341-P389 HydrophobicContact CD1-CB 4.3Å; I341-P389 HydrophobicContact CD1-CG 3.63Å; V347-P389 HydrophobicContact CG1-CB 3.99Å; V347-P389 HydrophobicContact CG1-CG 3.97Å; V347-P389 HydrophobicContact CG2-CG 3.99Å; L385-P389 HydrophobicContact CD1-CG 3.78Å; D387-P389 WeakPolarHBondContact O-CD 3.31Å; P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 3.42Å; P389-D391 VanDerWaalsContact O-N 3.15Å; P389-F392 HydrophobicContact CB-CD2 4.18Å; P389-F392 WeakPolarHBondContact O-CA 3.49Å; P389-F392 PolarHBondContact O-N 3.07Å; P389-R393 PolarHBondContact O-N 3.4Å; P389-R393 VanDerWaalsContact O-N 3.12Å
390L86.5Confident82.4Confident126 Ų12663.2 Ų63.266%0.6631%0.307SS*.Hα-helixtrans-52.1-42.7-170.2-73.5171.2000113.2F392 R393L390-F392 PolarHBondContact O-N 3.27Å; L390-R393 PolarHBondContact O-N 3.08Å
391D84.6Confident82.3Confident118 Ų11864.9 Ų64.963%0.63132%0.315SS*.Hα-helixtrans-64.7-22.5-178.9-58.4-34.7000112.9P389 C395P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 3.42Å; P389-D391 VanDerWaalsContact O-N 3.15Å; D391-C395 PolarHBondContact O-SG 3.44Å
392F89.7Confident82.1Confident4 Ų468.4 Ų68.42%0.01833%0.333CS..Hα-helixtrans-99.8-15.8-179.9-67.6-96.9000113.2L281 N320 I341 D345 V388 P389 L390 R394 C395 A396L281-F392 HydrophobicContact CD1-CD1 3.58Å; L281-F392 HydrophobicContact CD1-CE1 4.12Å; N320-F392 HydrophobicContact CB-CE1 3.88Å; I341-F392 HydrophobicContact CD1-CD1 4.14Å; I341-F392 HydrophobicContact CD1-CD2 3.52Å; I341-F392 HydrophobicContact CD1-CE1 4.17Å; I341-F392 HydrophobicContact CD1-CE2 3.55Å; I341-F392 HydrophobicContact CD1-CG 3.83Å; I341-F392 HydrophobicContact CD1-CZ 3.87Å; I341-F392 HydrophobicContact CG1-CD1 4.4Å; I341-F392 HydrophobicContact CG1-CE1 4.39Å; I341-F392 HydrophobicContact CG1-CG 4.49Å; I341-F392 HydrophobicContact CG1-CZ 4.46Å; I341-F392 HydrophobicContact CG2-CE1 3.86Å; I341-F392 HydrophobicContact CG2-CZ 3.82Å; D345-F392 HydrophobicContact CB-CE2 4.49Å; D345-F392 HydrophobicContact CB-CZ 3.83Å; V388-F392 HydrophobicContact CG1-CB 3.5Å; P389-F392 HydrophobicContact CB-CD2 4.18Å; P389-F392 WeakPolarHBondContact O-CA 3.49Å; P389-F392 PolarHBondContact O-N 3.07Å; L390-F392 PolarHBondContact O-N 3.27Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 2.95Å; F392-C395 WeakPolarHBondContact O-CB 3.45Å; F392-C395 PolarHBondContact O-N 3.17Å; F392-C395 VanDerWaalsContact O-N 3.16Å; F392-A396 WeakPolarHBondContact O-CB 3.11Å; F392-A396 PolarHBondContact O-N 3.45Å; F392-A396 VanDerWaalsContact O-N 3.09Å
393R83.2Confident81.8Confident108 Ų10872.7 Ų72.741%0.40835%0.354SS..Hα-helixtrans-63.2-37.5-178.6-72.6-172.7-176.4171.1-4.3112.8D387 V388 P389 L390 C395 A396D387-R393 IonicContact OD2-CZ 2.74Å; D387-R393 IonicContact OD2-NE 2.59Å; D387-R393 PolarHBondContact OD2-NE 3.42Å; D387-R393 IonicContact OD2-NH2 3.36Å; D387-R393 PolarHBondContact OD2-NH2 3.24Å; V388-R393 HydrophobicContact CB-CG 4.07Å; V388-R393 HydrophobicContact CG1-CG 4.15Å; V388-R393 WeakPolarHBondContact O-CG 3.36Å; V388-R393 PolarHBondContact O-NE 2.97Å; P389-R393 PolarHBondContact O-N 3.4Å; P389-R393 VanDerWaalsContact O-N 3.12Å; L390-R393 PolarHBondContact O-N 3.08Å; R393-C395 PolarHBondContact O-N 3.47Å; R393-A396 PolarHBondContact O-N 3.32Å
394R73.4Confident81.4Confident225 Ų22574.9 Ų74.985%0.84936%0.358SS*.Hα-helixtrans-68.8-27.3178.3-66.1-175.2-178.5-170.31.5112.1F392F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 2.95Å
395C71Confident80.7Confident11 Ų1179.8 Ų79.87%0.07438%0.382CS..Hα-helixtrans-83.9-23.9-178.6-40.50000112.2L281 H284 D391 F392 R393L281-C395 HydrophobicContact CD1-CB 4.18Å; L281-C395 HydrophobicContact CD2-CB 3.97Å; H284-C395 VanDerWaalsContact CB-SG 3.51Å; H284-C395 WeakPolarHBondContact O-CB 3.31Å; H284-C395 PolarHBondContact O-SG 3.43Å; D391-C395 PolarHBondContact O-SG 3.44Å; F392-C395 WeakPolarHBondContact O-CB 3.45Å; F392-C395 PolarHBondContact O-N 3.17Å; F392-C395 VanDerWaalsContact O-N 3.16Å; R393-C395 PolarHBondContact O-N 3.47Å
396A56.1Low79.9Confident19 Ų1983.3 Ų83.316%0.15740%0.397CS..Hα-helixtrans-93.6-13.4-172.800000114.6L322 F392 R393L322-A396 HydrophobicContact CD2-CB 3.74Å; F392-A396 WeakPolarHBondContact O-CB 3.11Å; F392-A396 PolarHBondContact O-N 3.45Å; F392-A396 VanDerWaalsContact O-N 3.09Å; R393-A396 PolarHBondContact O-N 3.32Å
397K51.8Low79Confident225 Ų22584.5 Ų84.598%0.97839%0.391SS*.  trans-79.70167.2-69.1-174.3179.4-176.20108.7

Retrieved 397 of 397 residues in 616.8 ms (Link to these results)