A0A077ZA12_TRITR Loading...

Large ribosomal subunit protein mL38

AlphaFold DB , UniProt , Accession A0A077ZA12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 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
1M35.9Very low38.5Very low248 Ų248170.5 Ų170.5100%1.22284%0.837SS**  0122.30-85.3175.9169.100109.8
2R34.3Very low38.3Very low246 Ų246172.1 Ų172.193%0.92883%0.83SS**  trans57.681.7168.6-64.6-176.3178171.70.4119.2
3Q37Very low38.3Very low204 Ų204169.2 Ų169.295%0.95382%0.819SS**  trans-63.4123.3147.6-72172.2-18.500109
4R40Very low38.5Very low237 Ų237171.3 Ų171.389%0.89482%0.822SS**  trans-93.6101.4166.2-86.7-179.1167.4169.6-3.2108.2V6R4-V6 PolarHBondContact O-N 3.06Å
5A41.7Very low38.5Very low85 Ų85168.1 Ų168.170%0.70282%0.818SS**  trans-64.4122.7162.600000108.7N7A5-N7 VanDerWaalsContact C-N 3.34Å; A5-N7 PolarHBondContact O-N 2.86Å; A5-N7 VanDerWaalsContact O-N 3.11Å
6V41.6Very low38.6Very low116 Ų116163 Ų16370%0.70381%0.811SS**  trans-81.585.9173.6-176.90000107.4R4 Y8R4-V6 PolarHBondContact O-N 3.06Å; V6-Y8 HydrophobicContact CG1-CD2 3.51Å; V6-Y8 HydrophobicContact CG1-CE2 3.82Å; V6-Y8 PolarHBondContact O-N 2.93Å
7N38Very low38.8Very low153 Ų153167.2 Ų167.282%0.81882%0.818SS**  trans-79.9102.7161.2-78.1-11.5000107.5A5 A9A5-N7 VanDerWaalsContact C-N 3.34Å; A5-N7 PolarHBondContact O-N 2.86Å; A5-N7 VanDerWaalsContact O-N 3.11Å; N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 2.86Å
8Y37.9Very low39Very low218 Ų218171.2 Ų171.286%0.85582%0.822SS**  trans-76.292.2169.8-109.3-83.1000109.6V6V6-Y8 HydrophobicContact CG1-CD2 3.51Å; V6-Y8 HydrophobicContact CG1-CE2 3.82Å; V6-Y8 PolarHBondContact O-N 2.93Å
9A40.2Very low39Very low68 Ų68166.8 Ų166.856%0.56282%0.818SS**  trans48.791.9147.400000118.3N7 I11N7-A9 VanDerWaalsContact C-N 3.34Å; N7-A9 PolarHBondContact O-N 2.86Å; A9-I11 HydrophobicContact CB-CG1 4.45Å; A9-I11 PolarHBondContact O-N 3.24Å
10D36.1Very low38.9Very low149 Ų149171.5 Ų171.580%0.79783%0.826SS**  trans-55.8107.5140.1-80.6-36.4000110Y12D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 4.41Å
11I41.3Very low39Very low151 Ų151173.5 Ų173.577%0.77483%0.825SS**  trans-96.593.9162.4-59.4176.7000107.5A9 I13A9-I11 HydrophobicContact CB-CG1 4.45Å; A9-I11 PolarHBondContact O-N 3.24Å; I11-I13 PolarHBondContact O-N 3.5Å
12Y35.4Very low39.4Very low190 Ų190167.5 Ų167.575%0.74580%0.802SS**  trans-70.9111.7171.3-99.9-97.8000110.7D10D10-Y12 HydrophobicContact CB-CD2 4.13Å; D10-Y12 HydrophobicContact CB-CE2 4.41Å
13I38.1Very low39.8Very low135 Ų135162 Ų16269%0.69280%0.798SS**  trans-87.3103.9159.1-60.4173.6000107.1I11 T15I11-I13 PolarHBondContact O-N 3.5Å; I13-T15 PolarHBondContact O-N 2.88Å
14K41Very low39.8Very low198 Ų198162.7 Ų162.786%0.86179%0.792SS**THydrogen-bonded Turntrans-65.46.8-169.2-86.5-179.1173.8177.90117.2
15T39.6Very low39.7Very low124 Ų124157 Ų15776%0.76178%0.783SS**THydrogen-bonded Turntrans-136.84.9-168.150.20000117.4I13 Y17I13-T15 PolarHBondContact O-N 2.88Å; T15-Y17 PolarHBondContact O-N 2.95Å
16A39.5Very low39.4Very low86 Ų86158.8 Ų158.871%0.71179%0.79SS**  trans-95.894-177.500000113.3R18A16-R18 PolarHBondContact O-N 3.11Å; A16-R18 VanDerWaalsContact O-N 3.11Å
17Y42.9Very low39.1Very low235 Ų235160.7 Ų160.792%0.92279%0.791SS**  trans-75.823.3177.5-106.9-83.5000115.6T15T15-Y17 PolarHBondContact O-N 2.95Å
18R40.9Very low39Very low238 Ų238158 Ų15890%0.89879%0.789SS**SBendtrans-131111.9-179.1-77-174.1175.8179.9-0.6113.2A16A16-R18 PolarHBondContact O-N 3.11Å; A16-R18 VanDerWaalsContact O-N 3.11Å
19A39.5Very low38.8Very low89 Ų89159.6 Ų159.674%0.73679%0.794SS**  trans69.8101.3156.800000118.3R21A19-R21 PolarHBondContact O-N 2.83Å
20R37.4Very low38.4Very low260 Ų260167.5 Ų167.598%0.98181%0.809SS**  trans-57.697.1156-65.9176.5173.6178.8-2.9110.2
21R39.9Very low38.4Very low214 Ų214167 Ų16781%0.80881%0.812SS**  trans-136132.9161.1-73.9-170.6175.8-178.90.4109.2A19A19-R21 PolarHBondContact O-N 2.83Å
22T46.2Very low38.3Very low122 Ų122170.3 Ų170.375%0.74881%0.814SS**  trans-56.7147.7173.844.70000110.7R24T22-R24 PolarHBondContact O-N 3.45Å
23P40.7Very low38.4Very low129 Ų129170.7 Ų170.784%0.83882%0.82SS**  trans-61.7108.6176.125-31.7000108.7V25P23-V25 PolarHBondContact O-N 3.34Å
24R37.8Very low38.4Very low219 Ų219171.6 Ų171.683%0.82683%0.825SS**  trans-71.3120.3162.5-71.7-167.7-174.7-170.41.8106.5T22 C26T22-R24 PolarHBondContact O-N 3.45Å; R24-C26 PolarHBondContact O-N 3.48Å
25V37.1Very low38.1Very low117 Ų117170.1 Ų170.171%0.70982%0.824SS**  trans-49.3112.1166.6-177.40000107.7P23 H27P23-V25 PolarHBondContact O-N 3.34Å; V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 2.79Å
26C35.6Very low37.9Very low124 Ų124168.1 Ų168.184%0.83882%0.815SS**  trans-68.493.3169.537.30000107.9R24R24-C26 PolarHBondContact O-N 3.48Å
27H35.8Very low38Very low156 Ų156172.2 Ų172.272%0.72282%0.824SS**  trans-66.5132.5155.9-79.829.5000107.7V25 W29V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 2.79Å; H27-W29 PolarHBondContact O-N 2.97Å
28A36.3Very low38.4Very low96 Ų96165.8 Ų165.879%0.79381%0.809SS**  trans-54.413316800000108.7R30A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3Å
29W33.2Very low38.7Very low252 Ų252158.8 Ų158.896%0.95580%0.802SS**  trans-60.599172.6-78.973.1000108.5H27 T31H27-W29 PolarHBondContact O-N 2.97Å; W29-T31 PolarHBondContact O-N 3.45Å; W29-T31 VanDerWaalsContact O-N 3.16Å
30R31.7Very low38.6Very low233 Ų233163.9 Ų163.988%0.87981%0.808SS**  trans-64.6111.9163-138179.3-163.41695106A28 R32A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3Å; R30-R32 VanDerWaalsContact C-N 3.32Å; R30-R32 PolarHBondContact O-N 3.39Å
31T35.8Very low38.7Very low138 Ų138160 Ų16085%0.84780%0.799SS**  trans-61.595.4170.847.70000108.3W29 K33W29-T31 PolarHBondContact O-N 3.45Å; W29-T31 VanDerWaalsContact O-N 3.16Å; T31-K33 PolarHBondContact O-N 3.38Å
32R41.1Very low39.1Very low221 Ų221161.2 Ų161.283%0.83480%0.803SS**  trans-66.7120163.2-90.8-174.2175.2176.2-0.8107.1R30 L34R30-R32 VanDerWaalsContact C-N 3.32Å; R30-R32 PolarHBondContact O-N 3.39Å; R32-L34 PolarHBondContact O-N 2.92Å
33K37.3Very low39.3Very low199 Ų199162.6 Ų162.687%0.86581%0.806SS**  trans-53.783.5166.4-153.6177.9-170.2-179.90108.9T31 M35T31-K33 PolarHBondContact O-N 3.38Å; K33-M35 PolarHBondContact O-N 3.45Å
34L38.2Very low39.4Very low153 Ų153166.6 Ų166.680%0.80180%0.804SS**  trans-92.188.4174.8-95.7159.5000108.4R32 S36R32-L34 PolarHBondContact O-N 2.92Å; L34-S36 PolarHBondContact O-N 2.83Å
35M33Very low39.6Very low167 Ų167164.6 Ų164.682%0.82380%0.802SS**  trans-75.690.2164.1-69.7-78.5-72.200108.4K33K33-M35 PolarHBondContact O-N 3.45Å
36S37.2Very low39.9Very low83 Ų83169.1 Ų169.158%0.5881%0.808SS**  trans178.3134.1140.459.10000110.5L34 T38L34-S36 PolarHBondContact O-N 2.83Å; S36-T38 PolarHBondContact O-N 3.33Å; S36-T38 VanDerWaalsContact O-N 3.12Å
37L41Very low40.4Very low172 Ų172171.3 Ų171.390%0.90181%0.806SS**THydrogen-bonded Turntrans-7718.3-171.7-94.1150.4000114.8
38T51.6Low40.8Very low100 Ų100169.5 Ų169.561%0.61380%0.8SS**THydrogen-bonded Turntrans-98.43.5-173.246.60000114.9S36 F40S36-T38 PolarHBondContact O-N 3.33Å; S36-T38 VanDerWaalsContact O-N 3.12Å; T38-F40 VanDerWaalsContact C-N 3.33Å; T38-F40 PolarHBondContact O-N 3.27Å
39A46Very low41.3Very low90 Ų90169 Ų16974%0.74478%0.784SS**  trans-82.32.1-174.900000115.7
40F38Very low42Very low196 Ų196168.4 Ų168.486%0.8678%0.782SS**  trans-108.462-180-72-83.1000112.5T38T38-F40 VanDerWaalsContact C-N 3.33Å; T38-F40 PolarHBondContact O-N 3.27Å
41F38.7Very low42.9Very low179 Ų179166.7 Ų166.779%0.78578%0.775SS**  trans-99.2117.1162.3-81.7-78.3000110.3N43F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 2.86Å
42R48.2Very low43.4Very low239 Ų239167.4 Ų167.490%0.90276%0.763SS**THydrogen-bonded Turntrans-79.15.7-169.5-159.9167.2177.2152.5-1.8115.1
43N51Low43.8Very low151 Ų151163.4 Ų163.481%0.80775%0.752SS**THydrogen-bonded Turntrans-122.714.2-166.4-79.7-3.2000117.2F41 F45F41-N43 VanDerWaalsContact C-N 3.29Å; F41-N43 PolarHBondContact O-N 2.86Å; N43-F45 PolarHBondContact O-N 3.41Å
44R43.8Very low44.4Very low214 Ų214157.6 Ų157.681%0.80874%0.741SS**  trans-91.313.8179.4-133.4179.8-170.1165.15.1115.6Y46R44-Y46 VanDerWaalsContact C-N 3.32Å; R44-Y46 PolarHBondContact O-N 2.72Å
45F40.7Very low45Very low177 Ų177157.7 Ų157.778%0.77673%0.731SS**THydrogen-bonded Turntrans-80.71.8-173.3-106.2-86.7000115.7N43N43-F45 PolarHBondContact O-N 3.41Å
46Y44.9Very low46.1Very low212 Ų212155.6 Ų155.683%0.83172%0.722SS**THydrogen-bonded Turntrans-1187-175-68.8-73.2000116.4R44 I48R44-Y46 VanDerWaalsContact C-N 3.32Å; R44-Y46 PolarHBondContact O-N 2.72Å; Y46-I48 PolarHBondContact O-N 2.8Å; Y46-I48 VanDerWaalsContact O-N 3.12Å
47E45.2Very low46.8Very low169 Ų169159.9 Ų159.979%0.7973%0.733SS**  trans-88.362.5163.4-75.8-177.4162.400110.1
48I44.5Very low47.5Very low118 Ų118159.8 Ų159.861%0.60573%0.725SS**  trans-84140.1171.3-72.3167000107.6Y46Y46-I48 PolarHBondContact O-N 2.8Å; Y46-I48 VanDerWaalsContact O-N 3.12Å
49D46.7Very low47.6Very low85 Ų85160.4 Ų160.446%0.45573%0.731SS.*SBendtrans97.517.5152.2-77.5-1.9000125
50R48.4Very low48.2Very low241 Ų241162 Ų16291%0.90973%0.725SS**SBendtrans-108.2-32.6162-72.9-170.1179.5-174.81.2116.3
51W49.9Very low49.1Very low197 Ų197159.7 Ų159.775%0.74672%0.721SS**THydrogen-bonded Turntrans-88.6-15178.9108.8-46.5000114.2
52Y46.8Very low50Low152 Ų152159.7 Ų159.760%0.59672%0.717SS**THydrogen-bonded Turntrans-85.9-31.1-173-155.8-97.3000112.4
53K48.3Very low50.6Low138 Ų138153.5 Ų153.560%0.671%0.707SS**G310 helixtrans-75.2-31.8177.1-73.4-176.1176.9178.40113.8R55 I56K53-R55 PolarHBondContact O-N 3.33Å; K53-R55 VanDerWaalsContact O-N 3.08Å; K53-I56 PolarHBondContact O-N 3.03Å
54A50Low51.2Low77 Ų77153.5 Ų153.564%0.63670%0.703SS**G310 helixtrans-66.4-11177.800000114.4
55R51.3Low52.2Low154 Ų154150.9 Ų150.958%0.58170%0.704SS**G310 helixtrans-94.2-8.3177.6-114.2-176.2-70.2-171.3-6114.3K53K53-R55 PolarHBondContact O-N 3.33Å; K53-R55 VanDerWaalsContact O-N 3.08Å
56I55.3Low53.5Low123 Ų123151.5 Ų151.563%0.63170%0.702SS**SBendtrans-89.9-18-173.1-60.6175.2000111.8K53K53-I56 PolarHBondContact O-N 3.03Å
57E52.7Low54.6Low174 Ų174147.9 Ų147.981%0.81370%0.702SS**SBendtrans-102.9-0.6-173.7-73.5-178.7167.300116.1
58K55.2Low55.8Low169 Ų169145.5 Ų145.574%0.73569%0.694SS**SBendtrans-82124.6169.3-74-170.6178-175.20108.9I60K58-I60 PolarHBondContact O-N 2.67Å
59P53.8Low57.1Low113 Ų113143.7 Ų143.773%0.73469%0.685SS**  trans-55.4117.2169.723.6-31.3000107.2I61P59-I61 PolarHBondContact O-N 2.8Å
60I59.2Low58.2Low123 Ų123143.7 Ų143.763%0.63169%0.69SS**  trans-67.892.3176-58.7169.9000105.2K58 Y62K58-I60 PolarHBondContact O-N 2.67Å; I60-Y62 HydrophobicContact CG2-CD1 4.09Å; I60-Y62 HydrophobicContact CG2-CD2 4.45Å; I60-Y62 HydrophobicContact CG2-CE1 3.89Å; I60-Y62 HydrophobicContact CG2-CE2 4.27Å; I60-Y62 HydrophobicContact CG2-CG 4.36Å; I60-Y62 WeakPolarHBondContact O-CD2 3.23Å; I60-Y62 PolarHBondContact O-N 3.1Å
61I57Low59.4Low149 Ų149136.1 Ų136.176%0.76467%0.674SS**  trans-67.296.5165.9-57.9172.7000104.3P59P59-I61 PolarHBondContact O-N 2.8Å
62Y56.7Low60.5Low179 Ų179134.4 Ų134.470%0.70267%0.672SS**  trans-58.1128169.3-66.4-78.9000106.8I60 Q64I60-Y62 HydrophobicContact CG2-CD1 4.09Å; I60-Y62 HydrophobicContact CG2-CD2 4.45Å; I60-Y62 HydrophobicContact CG2-CE1 3.89Å; I60-Y62 HydrophobicContact CG2-CE2 4.27Å; I60-Y62 HydrophobicContact CG2-CG 4.36Å; I60-Y62 WeakPolarHBondContact O-CD2 3.23Å; I60-Y62 PolarHBondContact O-N 3.1Å; Y62-Q64 PolarHBondContact O-N 3.34Å
63P61.7Low61.6Low108 Ų108134.7 Ų134.770%0.70168%0.676SS**  trans-54.9123.3172.223.2-31.2000106.9L65P63-L65 PolarHBondContact O-N 3.41Å
64Q62.9Low62.9Low152 Ų152130.7 Ų130.771%0.7167%0.666SS**  trans-57108171.6-71.3178.8-7.300106.1Y62 Y66Y62-Q64 PolarHBondContact O-N 3.34Å; Q64-Y66 VanDerWaalsContact C-N 3.3Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.42Å
65L65.4Low64.3Low158 Ų158132 Ų13283%0.82766%0.657SS**  trans-66.498.5172-71.8168.7000105.6P63 T67P63-L65 PolarHBondContact O-N 3.41Å; L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.15Å
66Y67.2Low65.9Low191 Ų191127.1 Ų127.175%0.74965%0.647SS**  trans-62.6102.7167.2-67.3-83.6000106.7Q64 I68Q64-Y66 VanDerWaalsContact C-N 3.3Å; Q64-Y66 WeakPolarHBondContact O-CD2 3.45Å; Q64-Y66 PolarHBondContact O-N 3.42Å; Y66-I68 PolarHBondContact O-N 3.01Å
67T68.5Low67.3Low136 Ų136127.5 Ų127.583%0.83465%0.65SS**  trans-66.493163.5380000106.8L65 D69L65-T67 VanDerWaalsContact C-N 3.34Å; L65-T67 PolarHBondContact O-N 3.15Å; T67-D69 PolarHBondContact O-N 2.96Å; T67-D69 VanDerWaalsContact O-N 3.08Å
68I70.2Confident68.9Low118 Ų118127.5 Ų127.561%0.60565%0.647SS**  trans-62.1108.1166.1-61.4177000105.3Y66 P70 F73Y66-I68 PolarHBondContact O-N 3.01Å; I68-P70 WeakPolarHBondContact O-CD 3.4Å; I68-F73 HydrophobicContact CG2-CD2 3.31Å; I68-F73 HydrophobicContact CG2-CE2 3.49Å; I68-F73 VanDerWaalsContact CG2-CE2 3.49Å; I68-F73 HydrophobicContact CG2-CG 4.2Å; I68-F73 HydrophobicContact CG2-CZ 4.48Å
69D71.4Confident70.3Confident80 Ų80124.3 Ų124.343%0.42863%0.634SS.*  trans-70.1108.3171.6-167.9-15.4000107.1T67 S71 K72T67-D69 PolarHBondContact O-N 2.96Å; T67-D69 VanDerWaalsContact O-N 3.08Å; D69-S71 PolarHBondContact O-N 3.2Å; D69-S71 PolarHBondContact OD1-N 3.37Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 2.87Å; D69-K72 HydrophobicContact CB-CD 4.28Å; D69-K72 HydrophobicContact CB-CG 4.27Å; D69-K72 PolarHBondContact O-N 3.45Å
70P69.9Low71.8Confident86 Ų86126 Ų12656%0.55863%0.626SS**G310 helixtrans-59-26.6-173.223.7-33000111.4I68 K72 F73 S74I68-P70 WeakPolarHBondContact O-CD 3.4Å; P70-K72 PolarHBondContact O-N 2.69Å; P70-K72 VanDerWaalsContact O-N 3.13Å; P70-F73 PolarHBondContact O-N 3.11Å; P70-F73 VanDerWaalsContact O-N 3.16Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.23Å
71S73.5Confident73Confident82 Ų82125 Ų12557%0.57362%0.621SS**G310 helixtrans-57.8-24.6175.165.90000114.2D69D69-S71 PolarHBondContact O-N 3.2Å; D69-S71 PolarHBondContact OD1-N 3.37Å; D69-S71 PolarHBondContact OD1-OG 2.86Å; D69-S71 PolarHBondContact OD2-OG 2.87Å
72K73.4Confident74.2Confident161 Ų161119.7 Ų119.770%0.760%0.6SS**G310 helixtrans-87.1-20.4-179.8-65.7-176.7-179.4179.40114.2D69 P70D69-K72 HydrophobicContact CB-CD 4.28Å; D69-K72 HydrophobicContact CB-CG 4.27Å; D69-K72 PolarHBondContact O-N 3.45Å; P70-K72 PolarHBondContact O-N 2.69Å; P70-K72 VanDerWaalsContact O-N 3.13Å
73F70.6Confident75.2Confident157 Ų157116.6 Ų116.669%0.68959%0.592SS**THydrogen-bonded Turntrans-119.5-32.7-171.7-61.6-84.6000113.2I68 P70I68-F73 HydrophobicContact CG2-CD2 3.31Å; I68-F73 HydrophobicContact CG2-CE2 3.49Å; I68-F73 VanDerWaalsContact CG2-CE2 3.49Å; I68-F73 HydrophobicContact CG2-CG 4.2Å; I68-F73 HydrophobicContact CG2-CZ 4.48Å; P70-F73 PolarHBondContact O-N 3.11Å; P70-F73 VanDerWaalsContact O-N 3.16Å
74S75.5Confident75.8Confident55 Ų55114.8 Ų114.839%0.38559%0.586SS.*SBendtrans-88.8126.5170.764.40000109.3P70 S76P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.23Å; S74-S76 PolarHBondContact O-N 2.88Å
75K79.2Confident76.2Confident104 Ų104113 Ų11345%0.45258%0.582SS.*PPolyproline II helixtrans-50.9134.9166.5-60.6-173.7-171.3-1770109.2E79 R80 E83K75-E79 VanDerWaalsContact CA-OE2 3.22Å; K75-E79 WeakPolarHBondContact CA-OE2 3.49Å; K75-E79 HydrophobicContact CB-CB 4.13Å; K75-R80 HydrophobicContact CB-CG 3.95Å; K75-E83 VanDerWaalsContact CD-OE1 3.27Å; K75-E83 WeakPolarHBondContact CD-OE1 3.3Å; K75-E83 VanDerWaalsContact CE-OE1 3.31Å; K75-E83 WeakPolarHBondContact CE-OE1 3.47Å; K75-E83 IonicContact NZ-OE1 3.69Å; K75-E83 PolarHBondContact NZ-OE1 2.62Å; K75-E83 IonicContact NZ-OE2 3.45Å; K75-E83 PolarHBondContact NZ-OE2 3.16Å
76S85.3Confident76.3Confident52 Ų52110.3 Ų110.336%0.36457%0.573SS.*PPolyproline II helixtrans-60.8154.9175.8690000110.1S74 K78 E79 R80S74-S76 PolarHBondContact O-N 2.88Å; S76-K78 PolarHBondContact O-N 3.44Å; S76-E79 PolarHBondContact N-OE2 2.86Å; S76-E79 WeakPolarHBondContact O-CB 3.37Å; S76-E79 PolarHBondContact O-N 2.81Å; S76-E79 VanDerWaalsContact OG-CG 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.22Å; S76-E79 PolarHBondContact OG-N 3.47Å; S76-E79 VanDerWaalsContact OG-N 3.15Å; S76-R80 PolarHBondContact O-N 3.49Å
77L84.6Confident75.8Confident131 Ų131110.1 Ų110.169%0.68658%0.577SS**Hα-helixtrans-53.8-37.8174.3178.864.4000110.8R80 L81L77-R80 PolarHBondContact O-N 3.24Å; L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.3Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.49Å
78K84.7Confident75.3Confident173 Ų173107.3 Ų107.375%0.75256%0.557SS**Hα-helixtrans-61.6-42.5176.2-173.3177.5-178.8177.50112.5S76 A82S76-K78 PolarHBondContact O-N 3.44Å; K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.26Å; K78-A82 PolarHBondContact O-N 2.91Å
79E85.8Confident74.8Confident102 Ų102104.9 Ų104.948%0.47755%0.554SS.*Hα-helixtrans-66.5-42.6175.5-75.8160.2-166.300111.6K75 S76 L81 A82 E83K75-E79 VanDerWaalsContact CA-OE2 3.22Å; K75-E79 WeakPolarHBondContact CA-OE2 3.49Å; K75-E79 HydrophobicContact CB-CB 4.13Å; S76-E79 PolarHBondContact N-OE2 2.86Å; S76-E79 WeakPolarHBondContact O-CB 3.37Å; S76-E79 PolarHBondContact O-N 2.81Å; S76-E79 VanDerWaalsContact OG-CG 3.31Å; S76-E79 WeakPolarHBondContact OG-CG 3.22Å; S76-E79 PolarHBondContact OG-N 3.47Å; S76-E79 VanDerWaalsContact OG-N 3.15Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.74Å; E79-A82 CarbonylContact O-C 3.5Å; E79-A82 PolarHBondContact O-N 2.63Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.93Å
80R84.8Confident75Confident148 Ų148108.3 Ų108.356%0.55857%0.572SS**Hα-helixtrans-62.1-41176.3-67-175.5-178.1-175.7-2.3112.2K75 S76 L77 E83 A84K75-R80 HydrophobicContact CB-CG 3.95Å; S76-R80 PolarHBondContact O-N 3.49Å; L77-R80 PolarHBondContact O-N 3.24Å; R80-E83 PolarHBondContact O-N 2.95Å; R80-A84 PolarHBondContact O-N 3.13Å
81L84.7Confident75.6Confident102 Ų102108.4 Ų108.453%0.53456%0.564SS.*Hα-helixtrans-68.6-36.9175-69.8173.3000111.8L77 E79 E83 A84 N85L77-L81 HydrophobicContact CD1-CD1 4.31Å; L77-L81 HydrophobicContact CD1-CG 4.3Å; L77-L81 HydrophobicContact CG-CD1 3.99Å; L77-L81 HydrophobicContact CG-CG 4.39Å; L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.28Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.49Å; E79-L81 VanDerWaalsContact C-N 3.33Å; E79-L81 PolarHBondContact O-N 2.74Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.83Å; L81-A84 PolarHBondContact O-N 3.11Å; L81-N85 PolarHBondContact O-N 2.85Å
82A81.8Confident76.4Confident38 Ų38109.3 Ų109.331%0.31456%0.561SS.*Hα-helixtrans-72-22.8175.600000113.6K78 E79 N85K78-A82 VanDerWaalsContact O-CB 3.24Å; K78-A82 WeakPolarHBondContact O-CB 3.26Å; K78-A82 PolarHBondContact O-N 2.91Å; E79-A82 CarbonylContact O-C 3.5Å; E79-A82 PolarHBondContact O-N 2.63Å; A82-N85 CarbonylContact C-O 3.53Å; A82-N85 CarbonylContact O-C 3.56Å
83E78.8Confident77.2Confident114 Ų114104.5 Ų104.553%0.53354%0.543SS..Hα-helixtrans-74.9-35.1169.8-76.6173.9-176.400111.7K75 E79 R80 L81K75-E83 VanDerWaalsContact CD-OE1 3.27Å; K75-E83 WeakPolarHBondContact CD-OE1 3.3Å; K75-E83 VanDerWaalsContact CE-OE1 3.31Å; K75-E83 WeakPolarHBondContact CE-OE1 3.47Å; K75-E83 IonicContact NZ-OE1 3.69Å; K75-E83 PolarHBondContact NZ-OE1 2.62Å; K75-E83 IonicContact NZ-OE2 3.45Å; K75-E83 PolarHBondContact NZ-OE2 3.16Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.93Å; R80-E83 PolarHBondContact O-N 2.95Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.83Å
84A74.4Confident78.2Confident71 Ų7198.1 Ų98.159%0.58752%0.516SS*.Hα-helixtrans-71.6-38.4174.300000111.9R80 L81 P86R80-A84 PolarHBondContact O-N 3.13Å; L81-A84 PolarHBondContact O-N 3.11Å; A84-P86 WeakPolarHBondContact O-CD 3.36Å
85N71.2Confident78.9Confident115 Ų11596.1 Ų96.162%0.61550%0.504SS*.SBendtrans-113.884.6176-66.6-5.4000108.5L81 A82 K87L81-N85 PolarHBondContact O-N 2.85Å; A82-N85 CarbonylContact C-O 3.53Å; A82-N85 CarbonylContact O-C 3.56Å; N85-K87 PolarHBondContact O-N 3Å
86P66.5Low79.4Confident100 Ų10094.4 Ų94.465%0.64950%0.497SS*.  trans-54.6119.317823.5-32.3000107.6A84 D88A84-P86 WeakPolarHBondContact O-CD 3.36Å; P86-D88 PolarHBondContact O-N 2.84Å
87K57.8Low79.4Confident188 Ų188101 Ų10182%0.81752%0.519SS*.  trans-38.2113.8-175.3-69.5178.3179.4175.20109.7N85 A89N85-K87 PolarHBondContact O-N 3Å; K87-A89 PolarHBondContact O-N 3.01Å
88D56.8Low79.1Confident77 Ų7797.2 Ų97.241%0.41250%0.496SS..  trans-36.2109.4-177.8-54.8-30.5000110.2P86 D90 K91P86-D88 PolarHBondContact O-N 2.84Å; D88-D90 PolarHBondContact O-N 2.79Å; D88-K91 HydrophobicContact CB-CG 4.04Å; D88-K91 WeakPolarHBondContact OD2-CE 3.43Å; D88-K91 IonicContact OD2-NZ 3.49Å
89A60.7Low78.5Confident67 Ų6792.8 Ų92.855%0.55449%0.491SS*.SBendtrans-58.6132.3171.700000107.9K87 K91K87-A89 PolarHBondContact O-N 3.01Å; A89-K91 PolarHBondContact O-N 3.39Å; A89-K91 VanDerWaalsContact O-N 3.14Å
90D75.2Confident77.6Confident152 Ų15295.5 Ų95.581%0.81350%0.497SS*.SBendtrans20.178.1170.2-60-23.6000115.4D88 I92D88-D90 PolarHBondContact O-N 2.79Å; D90-I92 WeakPolarHBondContact O-CG1 3.48Å; D90-I92 PolarHBondContact O-N 2.77Å
91K83.3Confident76.5Confident87 Ų8794.6 Ų94.638%0.37850%0.504SS..  trans-55.2127175.7-67.8-171.3169.9-169.60110.5D88 A89 E150 N162 F164D88-K91 HydrophobicContact CB-CG 4.04Å; D88-K91 WeakPolarHBondContact OD2-CE 3.43Å; D88-K91 IonicContact OD2-NZ 3.49Å; A89-K91 PolarHBondContact O-N 3.39Å; A89-K91 VanDerWaalsContact O-N 3.14Å; K91-E150 IonicContact NZ-OE1 3.79Å; K91-E150 PolarHBondContact NZ-OE1 3.23Å; K91-N162 CarbonylContact C-O 3.22Å; K91-N162 WeakPolarHBondContact CA-O 3.45Å; K91-F164 HydrophobicContact CB-CD1 3.69Å; K91-F164 HydrophobicContact CB-CE1 3.5Å; K91-F164 VanDerWaalsContact CB-CE1 3.5Å; K91-F164 HydrophobicContact CD-CD1 4.41Å
92I89.1Confident75.1Confident102 Ų102100.9 Ų100.952%0.52352%0.52SS..EExtended strand (participates in β ladder)trans-95.9127.6-176.7-57174.2000109.4D90 I94 N162 F164D90-I92 WeakPolarHBondContact O-CG1 3.48Å; D90-I92 PolarHBondContact O-N 2.77Å; I92-I94 HydrophobicContact CG2-CG2 4.32Å; I92-N162 PolarHBondContact N-O 3.46Å; I92-F164 WeakPolarHBondContact O-CD1 3.35Å; I92-F164 PolarHBondContact O-N 3.03Å
93N91.3Very high73.8Confident60 Ų60107 Ų10732%0.32154%0.542SS..EExtended strand (participates in β ladder)trans-85.9112.4171.1-17823.5000110G95 F164 F165N93-G95 PolarHBondContact OD1-N 2.87Å; N93-F164 CarbonylContact C-O 3.58Å; N93-F164 VanDerWaalsContact CA-O 3.25Å; N93-F164 WeakPolarHBondContact CA-O 3.34Å; N93-F164 HydrophobicContact CB-CE1 4.35Å; N93-F164 HydrophobicContact CB-CE2 3.99Å; N93-F164 HydrophobicContact CB-CZ 3.85Å; N93-F164 PolarHBondContact OD1-O 3.47Å; N93-F165 WeakPolarHBondContact OD1-CA 3.49Å
94I90.6Very high72.3Confident22 Ų22104.6 Ų104.611%0.11354%0.537CS..  trans-91.5-8.9179.562.6171.8000113.4I92 F159 C163 F164 F165 Y305 P314I92-I94 HydrophobicContact CG2-CG2 4.32Å; I94-F159 HydrophobicContact CD1-CB 4.13Å; I94-F159 HydrophobicContact CD1-CD1 3.44Å; I94-F159 VanDerWaalsContact CD1-CD1 3.44Å; I94-F159 HydrophobicContact CD1-CD2 4.16Å; I94-F159 HydrophobicContact CD1-CE1 3.77Å; I94-F159 HydrophobicContact CD1-CE2 4.46Å; I94-F159 HydrophobicContact CD1-CG 3.65Å; I94-F159 HydrophobicContact CD1-CZ 4.27Å; I94-C163 HydrophobicContact CD1-CB 4.43Å; I94-C163 HydrophobicContact CG2-CB 4.22Å; I94-F164 WeakPolarHBondContact CG1-O 3.32Å; I94-F164 PolarHBondContact N-O 3.39Å; I94-F165 HydrophobicContact CD1-CD1 4.34Å; I94-F165 HydrophobicContact CG1-CB 3.99Å; I94-F165 HydrophobicContact CG1-CD1 4.34Å; I94-Y305 HydrophobicContact CB-CE1 4.45Å; I94-Y305 HydrophobicContact CD1-CE1 4.3Å; I94-Y305 PolarHBondContact O-OH 3.08Å; I94-P314 HydrophobicContact CD1-CG 4.03Å; I94-P314 HydrophobicContact CG1-CG 3.88Å
95G90Very high70.9Confident13 Ų13108.4 Ų108.413%0.13454%0.543CS..SBendtrans-104.2-169.3-178.900000114.3N93N93-G95 PolarHBondContact OD1-N 2.87Å
96F89.6Confident69.8Low69 Ų69111.1 Ų111.130%0.30355%0.552SS.*  trans-60.3148.7177.3-66.6-74.8000112.3W98 V168 K275 T313 A315F96-W98 PolarHBondContact O-N 3.34Å; F96-V168 HydrophobicContact CB-CG2 4.11Å; F96-K275 HydrophobicContact CE2-CB 3.82Å; F96-K275 HydrophobicContact CE2-CD 4.16Å; F96-K275 HydrophobicContact CZ-CB 3.81Å; F96-K275 HydrophobicContact CZ-CD 3.71Å; F96-K275 HydrophobicContact CZ-CG 4.25Å; F96-T313 HydrophobicContact CD1-CG2 4.47Å; F96-T313 HydrophobicContact CD2-CG2 4.02Å; F96-T313 HydrophobicContact CE1-CG2 4.17Å; F96-T313 HydrophobicContact CE2-CG2 3.69Å; F96-T313 HydrophobicContact CG-CG2 4.39Å; F96-T313 HydrophobicContact CZ-CG2 3.76Å; F96-A315 HydrophobicContact CD2-CB 4.08Å; F96-A315 HydrophobicContact CE2-CB 3.86Å
97K85.2Confident69.2Low189 Ų189113.1 Ų113.182%0.82256%0.557SS**  trans-68.3123.5173.1-175.2-179.9179.3-177.40108.9A99K97-A99 PolarHBondContact O-N 2.7Å
98W78.3Confident68.9Low53 Ų53112.4 Ų112.420%0.20156%0.556CS.*  trans-71.7112.3173.5179.638.2000110.2F96 R100 E139 Q143 Y166F96-W98 PolarHBondContact O-N 3.34Å; W98-R100 HydrophobicContact CH2-CG 4.5Å; W98-R100 HydrophobicContact CZ2-CB 4.43Å; W98-R100 HydrophobicContact CZ2-CG 4.27Å; W98-R100 PolarHBondContact O-N 2.92Å; W98-E139 VanDerWaalsContact CZ2-O 3.28Å; W98-E139 WeakPolarHBondContact CZ2-O 3.47Å; W98-Q143 HydrophobicContact CH2-CB 4.02Å; W98-Q143 HydrophobicContact CZ3-CB 4.23Å; W98-Y166 HydrophobicContact CB-CD2 4.03Å; W98-Y166 HydrophobicContact CB-CG 4.13Å; W98-Y166 HydrophobicContact CE3-CE1 4.27Å
99A72.3Confident69.1Low80 Ų80115.5 Ų115.566%0.66157%0.571SS**  trans-83.396.717200000108.6K97 N101K97-A99 PolarHBondContact O-N 2.7Å; A99-N101 PolarHBondContact O-N 3.49Å
100R67.2Low69Low158 Ų158121.2 Ų121.260%0.59658%0.584SS**  trans-76.4106.9170.2-168174.2-177.7176.61.9107.6W98 R102W98-R100 HydrophobicContact CH2-CG 4.5Å; W98-R100 HydrophobicContact CZ2-CB 4.43Å; W98-R100 HydrophobicContact CZ2-CG 4.27Å; W98-R100 PolarHBondContact O-N 2.92Å; R100-R102 PolarHBondContact O-N 3.12Å
101N62.2Low68.3Low130 Ų130122.7 Ų122.770%0.69559%0.586SS**  trans-60.1108.7166.8-73.2-8.2000106.6A99 E103A99-N101 PolarHBondContact O-N 3.49Å; N101-E103 PolarHBondContact O-N 3.38Å
102R56.1Low67.3Low234 Ų234125.1 Ų125.188%0.88360%0.603SS**SBendtrans-77.8-7.2175.2-69.6-177.7177.4178.5-1.3111.6R100R100-R102 PolarHBondContact O-N 3.12Å
103E53.7Low66.6Low166 Ų166125.5 Ų125.578%0.77661%0.606SS**  trans-10433.9-175.1-63.5174.2-179.500111.9N101 E105N101-E103 PolarHBondContact O-N 3.38Å; E103-E105 PolarHBondContact O-N 3.38Å
104C46.7Very low66.1Low63 Ų63127.4 Ų127.443%0.42662%0.62SS.*  trans-71.174.8144.7-66.80000105.4H106 E139C104-H106 PolarHBondContact O-N 2.77Å; C104-H106 VanDerWaalsContact O-N 3.1Å; C104-E139 PolarHBondContact SG-OE1 2.91Å
105E45.6Very low65.8Low151 Ų151135.9 Ų135.971%0.70665%0.65SS**  trans-42.8120.8158.8-67.1-173.9151.700103.9E103 D107E103-E105 PolarHBondContact O-N 3.38Å; E105-D107 PolarHBondContact O-N 3.14Å
106H48.2Very low65.5Low173 Ų173139.3 Ų139.380%0.80167%0.665SS**  trans-58.188.9160.8-68.6-72.2000104.1C104 E108C104-H106 PolarHBondContact O-N 2.77Å; C104-H106 VanDerWaalsContact O-N 3.1Å; H106-E108 PolarHBondContact O-N 2.96Å
107D53Low65.3Low141 Ų141140.7 Ų140.775%0.75467%0.673SS**  trans-46.3107.8154.8-86.4-24.9000102.4E105 I109E105-D107 PolarHBondContact O-N 3.14Å; D107-I109 PolarHBondContact O-N 3.25Å
108E52Low65.4Low174 Ų174135 Ų13581%0.81365%0.651SS**  trans-47.2111.6-170.5-68.8178.7155.700105.4H106 K110H106-E108 PolarHBondContact O-N 2.96Å; E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.32Å
109I60.1Low66Low142 Ų142136.5 Ų136.573%0.72866%0.66SS**  trans-53.2107-178.8-64.6170.1000103.5D107 E111D107-I109 PolarHBondContact O-N 3.25Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 WeakPolarHBondContact O-CG 3.25Å; I109-E111 PolarHBondContact O-N 3.44Å
110K60.1Low66.8Low187 Ų187135.2 Ų135.281%0.81365%0.65SS**  trans-64.7103.5-175.6-70.1-178.6-178.2172.30104.9E108 D112E108-K110 VanDerWaalsContact C-N 3.3Å; E108-K110 PolarHBondContact O-N 3.32Å; K110-D112 PolarHBondContact O-N 3.22Å
111E60.6Low67.9Low183 Ų183136.2 Ų136.286%0.85565%0.653SS**THydrogen-bonded Turntrans-64.12-172.7-65.9-171.8145.900113I109I109-E111 VanDerWaalsContact C-N 3.32Å; I109-E111 WeakPolarHBondContact O-CG 3.25Å; I109-E111 PolarHBondContact O-N 3.44Å
112D60.4Low69.4Low137 Ų137137 Ų13773%0.73365%0.651SS**THydrogen-bonded Turntrans-103.27.2-159.1-72.2-21.1000115.7K110 T114K110-D112 PolarHBondContact O-N 3.22Å; D112-T114 PolarHBondContact O-N 3.08Å
113D75.3Confident70.9Confident110 Ų110137 Ų13759%0.58865%0.651SS**  trans-77.680.3170.8-87.6-7.2000110.5R115 L116 E117D113-R115 PolarHBondContact O-N 3.05Å; D113-L116 HydrophobicContact CB-CB 4.14Å; D113-L116 HydrophobicContact CB-CD1 3.76Å; D113-L116 HydrophobicContact CB-CG 3.93Å; D113-L116 PolarHBondContact O-N 3.04Å; D113-E117 PolarHBondContact O-N 2.87Å; D113-E117 VanDerWaalsContact O-N 3.11Å
114T81.1Confident72.7Confident101 Ų101132.9 Ų132.962%0.6264%0.637SS**Hα-helixtrans-48.4-28175.354.40000113.4D112 L118D112-T114 PolarHBondContact O-N 3.08Å; T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.23Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.98Å
115R83.6Confident74.7Confident199 Ų199133.3 Ų133.375%0.75163%0.634SS**Hα-helixtrans-68-47.9174.6-67.1-176.9177.5-1780.4112.2D113 E117 L118 E119D113-R115 PolarHBondContact O-N 3.05Å; R115-E117 VanDerWaalsContact C-N 3.32Å; R115-E117 PolarHBondContact O-N 2.87Å; R115-L118 PolarHBondContact O-N 2.78Å; R115-E119 WeakPolarHBondContact O-CG 3.07Å; R115-E119 PolarHBondContact O-N 2.99Å
116L84.3Confident76.8Confident85 Ų85135.3 Ų135.345%0.44564%0.641SS.*Hα-helixtrans-64.4-38.7177.7-66177000110.7D113 E119 A120 L125D113-L116 HydrophobicContact CB-CB 4.14Å; D113-L116 HydrophobicContact CB-CD1 3.76Å; D113-L116 HydrophobicContact CB-CG 3.93Å; D113-L116 PolarHBondContact O-N 3.04Å; L116-E119 PolarHBondContact O-N 3.42Å; L116-A120 VanDerWaalsContact O-CB 3.22Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-L125 HydrophobicContact CD2-CD1 3.61Å
117E85.7Confident78.6Confident98 Ų98133.3 Ų133.346%0.45864%0.635SS.*Hα-helixtrans-58.5-49.1172.2-175.2-82.5159.100111.4D113 R115 E119 A120 R121D113-E117 PolarHBondContact O-N 2.87Å; D113-E117 VanDerWaalsContact O-N 3.11Å; R115-E117 VanDerWaalsContact C-N 3.32Å; R115-E117 PolarHBondContact O-N 2.87Å; E117-E119 PolarHBondContact O-N 2.91Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 IonicContact OE1-NH1 3.9Å
118L87.9Confident80.3Confident69 Ų69130.4 Ų130.436%0.36162%0.62SS.*Hα-helixtrans-63.7-40.9-179.8-76171.5000112T114 R115 R121 K122T114-L118 WeakPolarHBondContact O-CB 3.33Å; T114-L118 VanDerWaalsContact O-CG 3.23Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.98Å; R115-L118 PolarHBondContact O-N 2.78Å; L118-R121 PolarHBondContact O-N 2.8Å; L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 VanDerWaalsContact O-CG 3.26Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.29Å
119E89.6Confident82Confident86 Ų86128 Ų12840%0.40261%0.612SS.*Hα-helixtrans-68.3-40.6177-73.3-178.9-17700112.2R115 L116 E117 R121 K122 R123 T124 L125R115-E119 WeakPolarHBondContact O-CG 3.07Å; R115-E119 PolarHBondContact O-N 2.99Å; L116-E119 PolarHBondContact O-N 3.42Å; E117-E119 PolarHBondContact O-N 2.91Å; E119-R121 VanDerWaalsContact C-N 3.34Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 PolarHBondContact O-N 3.4Å; E119-R123 PolarHBondContact O-N 3.43Å; E119-T124 WeakPolarHBondContact CA-OG1 3.44Å; E119-T124 PolarHBondContact O-N 3.29Å; E119-T124 PolarHBondContact O-OG1 3.42Å; E119-L125 HydrophobicContact CB-CB 4.08Å; E119-L125 HydrophobicContact CB-CD1 4.36Å; E119-L125 PolarHBondContact O-N 3.34Å
120A89.7Confident83.2Confident53 Ų53127.9 Ų127.944%0.43861%0.608SS.*Hα-helixtrans-62.5-43.4173.100000110.7L116 E117 K122 R123 L125L116-A120 VanDerWaalsContact O-CB 3.22Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.23Å; E117-A120 PolarHBondContact O-N 3.04Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.12Å; A120-R123 WeakPolarHBondContact O-CA 3.4Å; A120-R123 PolarHBondContact O-N 2.93Å; A120-L125 HydrophobicContact CB-CD2 4.32Å
121R89.7Confident84.3Confident178 Ų178124.6 Ų124.667%0.67260%0.596SS**Hα-helixtrans-65.2-37.4178-161.4175.787.8-174.36.7112.4E117 L118 E119 R123E117-R121 VanDerWaalsContact O-CB 3.3Å; E117-R121 WeakPolarHBondContact O-CB 3.21Å; E117-R121 PolarHBondContact O-N 2.88Å; E117-R121 IonicContact OE1-NH1 3.9Å; L118-R121 PolarHBondContact O-N 2.8Å; E119-R121 VanDerWaalsContact C-N 3.34Å; R121-R123 PolarHBondContact O-N 3.06Å
122K93.4Very high85.5Confident148 Ų148119.6 Ų119.664%0.64358%0.578SS**Hα-helixtrans-76.6-7.9172.8-71.4175.1-177.3176.80113.3L118 E119 A120 T124L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 VanDerWaalsContact O-CG 3.26Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.29Å; E119-K122 CarbonylContact O-C 3.56Å; E119-K122 PolarHBondContact O-N 3.4Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 3.12Å; K122-T124 HydrophobicContact CB-CG2 4.05Å; K122-T124 PolarHBondContact O-N 2.92Å
123R88.6Confident86.4Confident233 Ų233119.1 Ų119.188%0.87957%0.571SS**THydrogen-bonded Turntrans57.632.2-172.7-54.5178.6178.2171.3-1.5113E119 A120 R121E119-R123 PolarHBondContact O-N 3.43Å; A120-R123 WeakPolarHBondContact O-CA 3.4Å; A120-R123 PolarHBondContact O-N 2.93Å; R121-R123 PolarHBondContact O-N 3.06Å
124T91.6Very high86.5Confident80 Ų80119.6 Ų119.649%0.49157%0.57SS.*  trans-101.2-12.6177.553.30000113.1E119 K122 K126E119-T124 WeakPolarHBondContact CA-OG1 3.44Å; E119-T124 PolarHBondContact O-N 3.29Å; E119-T124 PolarHBondContact O-OG1 3.42Å; K122-T124 HydrophobicContact CB-CG2 4.05Å; K122-T124 PolarHBondContact O-N 2.92Å; T124-K126 PolarHBondContact O-N 2.79Å
125L87.6Confident86Confident71 Ų71121.5 Ų121.537%0.37257%0.572SS.*  trans-59.3125.5179.2-175.467.7000110.6L116 E119 A120L116-L125 HydrophobicContact CD2-CD1 3.61Å; E119-L125 HydrophobicContact CB-CB 4.08Å; E119-L125 HydrophobicContact CB-CD1 4.36Å; E119-L125 PolarHBondContact O-N 3.34Å; A120-L125 HydrophobicContact CB-CD2 4.32Å
126K89.3Confident85.2Confident194 Ų194113.1 Ų113.184%0.84355%0.547SS*.  trans-113.8132.9173.7-65.9-178.7-179.2-179.90108.1T124T124-K126 PolarHBondContact O-N 2.79Å
127L86.5Confident84.3Confident131 Ų131109.3 Ų109.369%0.68653%0.528SS*.  trans-88137.9171.7-64.6170.9000108.4L129L127-L129 PolarHBondContact O-N 3.06Å
128D88.2Confident83.4Confident80 Ų80110.8 Ų110.843%0.42854%0.538SS..  trans-73117166.8-166.6-10.7000108.5Q130 E131 V132D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact OD1-N 3.05Å; D128-E131 HydrophobicContact CB-CB 4.37Å; D128-E131 HydrophobicContact CB-CG 4.17Å; D128-V132 VanDerWaalsContact O-CG2 3.26Å; D128-V132 WeakPolarHBondContact O-CG2 3.05Å; D128-V132 PolarHBondContact O-N 3.37Å
129L88.4Confident82.5Confident124 Ų124112 Ų11265%0.64954%0.541SS*.Hα-helixtrans-73.5-26.2-178.1-61.6178.7000111.4L127 E133L127-L129 PolarHBondContact O-N 3.06Å; L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.33Å
130Q85.7Confident82Confident139 Ų139110.3 Ų110.365%0.6554%0.536SS*.Hα-helixtrans-69.9-46.8-178.8-65.2-174.6-12.500111D128 V132 E133 E134D128-Q130 VanDerWaalsContact C-N 3.28Å; D128-Q130 PolarHBondContact OD1-N 3.05Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 3.36Å; Q130-E133 PolarHBondContact O-N 2.92Å; Q130-E133 VanDerWaalsContact O-N 3.15Å; Q130-E134 WeakPolarHBondContact O-CG 3.4Å; Q130-E134 PolarHBondContact O-N 2.93Å
131E83.4Confident81.6Confident117 Ų117109.6 Ų109.655%0.54752%0.523SS..Hα-helixtrans-60-42.5175.4-65-177.6162.200111.2D128 E133 E134 E135D128-E131 HydrophobicContact CB-CB 4.37Å; D128-E131 HydrophobicContact CB-CG 4.17Å; E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 2.82Å; E131-E134 PolarHBondContact O-N 2.87Å; E131-E135 WeakPolarHBondContact O-CB 2.92Å; E131-E135 PolarHBondContact O-N 3.45Å
132V84.7Confident81.4Confident78 Ų78101.4 Ų101.447%0.47349%0.493SS..Hα-helixtrans-63.2-36177.1173.40000112.1D128 Q130 G136D128-V132 VanDerWaalsContact O-CG2 3.26Å; D128-V132 WeakPolarHBondContact O-CG2 3.05Å; D128-V132 PolarHBondContact O-N 3.37Å; Q130-V132 VanDerWaalsContact C-N 3.3Å; Q130-V132 PolarHBondContact O-N 3.36Å; V132-G136 VanDerWaalsContact O-CA 3.25Å; V132-G136 WeakPolarHBondContact O-CA 3.11Å; V132-G136 PolarHBondContact O-N 3.02Å
133E80Confident81.1Confident127 Ų12798 Ų9859%0.59348%0.479SS*.Hα-helixtrans-70.6-38.4175-77.6-179.2-178.100112L129 Q130 E131 G137L129-E133 WeakPolarHBondContact O-CG 3.24Å; L129-E133 PolarHBondContact O-N 3.33Å; Q130-E133 PolarHBondContact O-N 2.92Å; Q130-E133 VanDerWaalsContact O-N 3.15Å; E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 2.82Å; E133-G137 WeakPolarHBondContact O-CA 3.39Å; E133-G137 PolarHBondContact O-N 3.02Å
134E76.9Confident81.1Confident120 Ų12093.9 Ų93.956%0.56146%0.464SS*.Hα-helixtrans-70.4-47.5178.4-69.9-174.4171.200112.5Q130 E131 I138Q130-E134 WeakPolarHBondContact O-CG 3.4Å; Q130-E134 PolarHBondContact O-N 2.93Å; E131-E134 PolarHBondContact O-N 2.87Å; E134-I138 WeakPolarHBondContact O-CG1 3.23Å
135E72.1Confident81Confident142 Ų14290.4 Ų90.466%0.66444%0.442SS*.Hα-helixtrans-73.1-48.6178.1-67.5-173.9164.100111.6E131 G137 I138E131-E135 WeakPolarHBondContact O-CB 2.92Å; E131-E135 PolarHBondContact O-N 3.45Å; E135-G137 PolarHBondContact O-N 2.75Å; E135-I138 PolarHBondContact O-N 2.87Å; E135-I138 VanDerWaalsContact O-N 3.13Å
136G66.2Low81.1Confident22 Ų2288.2 Ų88.223%0.22743%0.429CS..Hα-helixtrans-64.8-24.4178.700000113V132 N140V132-G136 VanDerWaalsContact O-CA 3.25Å; V132-G136 WeakPolarHBondContact O-CA 3.11Å; V132-G136 PolarHBondContact O-N 3.02Å; G136-N140 PolarHBondContact O-N 2.87Å
137G65Low81.2Confident5 Ų583.6 Ų83.65%0.05241%0.414CS..Hα-helixtrans-60.9-41.3172.600000113E133 E135 E139 E141E133-G137 WeakPolarHBondContact O-CA 3.39Å; E133-G137 PolarHBondContact O-N 3.02Å; E135-G137 PolarHBondContact O-N 2.75Å; G137-E139 PolarHBondContact O-N 2.95Å; G137-E141 WeakPolarHBondContact CA-OE2 3.29Å; G137-E141 WeakPolarHBondContact O-CB 3.42Å; G137-E141 VanDerWaalsContact O-OE2 3.1Å
138I67.8Low81.5Confident130 Ų13080.1 Ų80.167%0.66740%0.395SS*.Hα-helixtrans-71.5-40.9-170.4-64.3163.1000111.7E134 E135E134-I138 WeakPolarHBondContact O-CG1 3.23Å; E135-I138 PolarHBondContact O-N 2.87Å; E135-I138 VanDerWaalsContact O-N 3.13Å
139E68.1Low81.8Confident93 Ų9376.3 Ų76.344%0.43538%0.375SS..Hα-helixtrans-91.8-52.1-171.2-69.5179.8-160.900113.7W98 C104 G137W98-E139 VanDerWaalsContact CZ2-O 3.28Å; W98-E139 WeakPolarHBondContact CZ2-O 3.47Å; C104-E139 PolarHBondContact SG-OE1 2.91Å; G137-E139 PolarHBondContact O-N 2.95Å
140N78.8Confident81.9Confident52 Ų5273.1 Ų73.128%0.27836%0.356SS..Hα-helixtrans-107.6-10.5-165.2-70.3-54.4000113.6G136 Q143 R144G136-N140 PolarHBondContact O-N 2.87Å; N140-Q143 PolarHBondContact O-N 2.94Å; N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 2.8Å
141E80.9Confident82.2Confident38 Ų3874.1 Ų74.118%0.17836%0.361CS..Hα-helixtrans-57.6-50.5-177.9-163.9179.817300112.1G137 Q143 R144 L145 N170G137-E141 WeakPolarHBondContact CA-OE2 3.29Å; G137-E141 WeakPolarHBondContact O-CB 3.42Å; G137-E141 VanDerWaalsContact O-OE2 3.1Å; E141-Q143 PolarHBondContact O-N 2.84Å; E141-R144 CarbonylContact O-C 3.55Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.28Å; E141-R144 PolarHBondContact O-N 2.94Å; E141-L145 HydrophobicContact CG-CD1 3.88Å; E141-L145 HydrophobicContact CG-CD2 4.24Å; E141-L145 HydrophobicContact CG-CG 3.88Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.87Å; E141-N170 PolarHBondContact OE2-ND2 2.85Å
142P85.9Confident82.6Confident6 Ų670.9 Ų70.94%0.03935%0.345CS..Hα-helixtrans-58.4-34.7-175.9-24.535.1000113.2K146 P167P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 PolarHBondContact O-N 2.81Å; P142-P167 WeakPolarHBondContact CB-O 3.21Å
143Q87.2Confident82.9Confident76 Ų7667.9 Ų67.936%0.35533%0.33SS..Hα-helixtrans-72.7-41.8175.9-175177-6.900112W98 N140 E141 K146 L147W98-Q143 HydrophobicContact CH2-CB 4.02Å; W98-Q143 HydrophobicContact CZ3-CB 4.23Å; N140-Q143 PolarHBondContact O-N 2.94Å; E141-Q143 PolarHBondContact O-N 2.84Å; Q143-K146 PolarHBondContact O-N 2.84Å; Q143-L147 WeakPolarHBondContact O-CG 3.48Å; Q143-L147 PolarHBondContact O-N 3.06Å; Q143-L147 VanDerWaalsContact O-N 3.13Å
144R87.9Confident83.5Confident146 Ų14661.9 Ų61.955%0.55130%0.302SS*.Hα-helixtrans-62.5-46.1175.2-70.8174-179.3173.72.1110.5N140 E141 K146 L147 I148N140-R144 WeakPolarHBondContact O-CG 3.47Å; N140-R144 PolarHBondContact O-N 2.8Å; E141-R144 CarbonylContact O-C 3.55Å; E141-R144 WeakPolarHBondContact O-CA 3.49Å; E141-R144 WeakPolarHBondContact O-CB 3.28Å; E141-R144 PolarHBondContact O-N 2.94Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 2.95Å; R144-L147 PolarHBondContact O-N 3.11Å; R144-L147 VanDerWaalsContact O-N 3.12Å; R144-I148 VanDerWaalsContact O-CG1 3.24Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 3.32Å
145L89.6Confident84.3Confident7 Ų756.5 Ų56.54%0.03728%0.276CS..Hα-helixtrans-61.8-41.1178.7-61.9-168.4000112E141 L147 I148 A149 P167 F190E141-L145 HydrophobicContact CG-CD1 3.88Å; E141-L145 HydrophobicContact CG-CD2 4.24Å; E141-L145 HydrophobicContact CG-CG 3.88Å; E141-L145 VanDerWaalsContact O-CG 3.27Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.87Å; L145-L147 PolarHBondContact O-N 3.03Å; L145-I148 HydrophobicContact CD2-CD1 4.45Å; L145-I148 PolarHBondContact O-N 2.97Å; L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.38Å; L145-P167 HydrophobicContact CB-CG 3.51Å; L145-P167 HydrophobicContact CD1-CB 4.3Å; L145-P167 HydrophobicContact CD1-CG 3.7Å; L145-P167 HydrophobicContact CG-CG 4.2Å; L145-F190 HydrophobicContact CD1-CD1 4.28Å; L145-F190 HydrophobicContact CD1-CE1 3.44Å; L145-F190 VanDerWaalsContact CD1-CE1 3.44Å; L145-F190 HydrophobicContact CD1-CE2 4.18Å; L145-F190 HydrophobicContact CD1-CZ 3.38Å; L145-F190 HydrophobicContact CD2-CB 4.44Å; L145-F190 HydrophobicContact CD2-CD1 3.53Å; L145-F190 HydrophobicContact CD2-CD2 3.29Å; L145-F190 HydrophobicContact CD2-CE1 3.43Å; L145-F190 VanDerWaalsContact CD2-CE1 3.43Å; L145-F190 HydrophobicContact CD2-CE2 3.21Å; L145-F190 HydrophobicContact CD2-CG 3.46Å; L145-F190 VanDerWaalsContact CD2-CG 3.46Å; L145-F190 HydrophobicContact CD2-CZ 3.26Å; L145-F190 HydrophobicContact CG-CD1 4.4Å; L145-F190 HydrophobicContact CG-CE1 3.98Å; L145-F190 HydrophobicContact CG-CE2 4.28Å; L145-F190 HydrophobicContact CG-CZ 3.92Å
146K90.8Very high85.1Confident25 Ų2554.2 Ų54.211%0.10927%0.266CS..Hα-helixtrans-56-50.5171.9179.9-169.8168.3174.90111.3P142 Q143 R144 I148 A149 E150 Y155 F164 Y166P142-K146 WeakPolarHBondContact O-CB 3.49Å; P142-K146 PolarHBondContact O-N 2.81Å; Q143-K146 PolarHBondContact O-N 2.84Å; R144-K146 VanDerWaalsContact C-N 3.33Å; R144-K146 PolarHBondContact O-N 2.95Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 2.85Å; K146-A149 PolarHBondContact O-N 2.57Å; K146-E150 WeakPolarHBondContact CE-OE1 3.44Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 WeakPolarHBondContact O-CB 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.13Å; K146-Y155 HydrophobicContact CG-CE2 4.07Å; K146-F164 HydrophobicContact CD-CD2 3.88Å; K146-F164 HydrophobicContact CD-CE2 4.33Å; K146-F164 VanDerWaalsContact NZ-CD2 3.33Å; K146-F164 VanDerWaalsContact NZ-CE2 3.29Å; K146-Y166 HydrophobicContact CB-CD1 4.33Å; K146-Y166 HydrophobicContact CB-CE1 4.37Å; K146-Y166 HydrophobicContact CD-CD1 4.16Å; K146-Y166 HydrophobicContact CD-CE1 3.53Å
147L91.2Very high86.2Confident98 Ų9857 Ų5751%0.51328%0.275SS..Hα-helixtrans-62.6-39.5-178.7-71.1170000112.1Q143 R144 L145 H151Q143-L147 WeakPolarHBondContact O-CG 3.48Å; Q143-L147 PolarHBondContact O-N 3.06Å; Q143-L147 VanDerWaalsContact O-N 3.13Å; R144-L147 PolarHBondContact O-N 3.11Å; R144-L147 VanDerWaalsContact O-N 3.12Å; L145-L147 PolarHBondContact O-N 3.03Å; L147-H151 WeakPolarHBondContact O-CB 3.24Å; L147-H151 PolarHBondContact O-N 3.08Å
148I93.4Very high87.5Confident58 Ų5856.9 Ų56.930%0.29727%0.273SS..Hα-helixtrans-67.5-46.9176.8-59.9166.3000109.3R144 L145 K146 E150 H151 F152 F190 F319R144-I148 VanDerWaalsContact O-CG1 3.24Å; R144-I148 WeakPolarHBondContact O-CG1 3.36Å; R144-I148 PolarHBondContact O-N 3.32Å; L145-I148 HydrophobicContact CD2-CD1 4.45Å; L145-I148 PolarHBondContact O-N 2.97Å; K146-I148 VanDerWaalsContact C-N 3.31Å; K146-I148 PolarHBondContact O-N 2.85Å; I148-E150 VanDerWaalsContact C-N 3.34Å; I148-E150 PolarHBondContact O-N 2.71Å; I148-H151 WeakPolarHBondContact O-CA 3.48Å; I148-H151 WeakPolarHBondContact O-CB 3.27Å; I148-H151 PolarHBondContact O-N 3.04Å; I148-F152 HydrophobicContact CG2-CD2 3.74Å; I148-F152 HydrophobicContact CG2-CE2 3.71Å; I148-F152 WeakPolarHBondContact O-CD2 3.25Å; I148-F152 PolarHBondContact O-N 3.11Å; I148-F190 HydrophobicContact CD1-CB 4.47Å; I148-F190 HydrophobicContact CG2-CB 4.17Å; I148-F319 HydrophobicContact CG2-CZ 3.83Å
149A92.9Very high88.4Confident0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-63-36.8178.400000113L145 K146 F152 G153 I154 Y155 L317L145-A149 VanDerWaalsContact O-CB 3.25Å; L145-A149 WeakPolarHBondContact O-CB 3.43Å; L145-A149 PolarHBondContact O-N 3.38Å; K146-A149 PolarHBondContact O-N 2.57Å; A149-F152 PolarHBondContact O-N 3.24Å; A149-G153 PolarHBondContact O-N 2.81Å; A149-G153 VanDerWaalsContact O-N 3.13Å; A149-I154 HydrophobicContact CB-CB 4.37Å; A149-I154 HydrophobicContact CB-CD1 4.3Å; A149-I154 PolarHBondContact O-N 3.34Å; A149-Y155 HydrophobicContact CB-CD2 4.11Å; A149-Y155 HydrophobicContact CB-CE2 3.46Å; A149-Y155 VanDerWaalsContact CB-CE2 3.46Å; A149-L317 HydrophobicContact CB-CD2 3.65Å
150E91Very high89.2Confident56 Ų5651.9 Ų51.926%0.26225%0.247SC..Hα-helixtrans-62.8-42.8169.5-76-177.1157.100111K91 K146 I148 F152 G153 Y155K91-E150 IonicContact NZ-OE1 3.79Å; K91-E150 PolarHBondContact NZ-OE1 3.23Å; K146-E150 WeakPolarHBondContact CE-OE1 3.44Å; K146-E150 HydrophobicContact CG-CG 4.46Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 WeakPolarHBondContact O-CB 3.28Å; K146-E150 WeakPolarHBondContact O-CG 3.39Å; K146-E150 PolarHBondContact O-N 3.13Å; I148-E150 VanDerWaalsContact C-N 3.34Å; I148-E150 PolarHBondContact O-N 2.71Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.87Å; E150-G153 PolarHBondContact O-N 2.7Å; E150-G153 VanDerWaalsContact O-N 3.1Å; E150-Y155 HydrophobicContact CG-CD2 3.76Å; E150-Y155 HydrophobicContact CG-CE2 4.01Å
151H92.1Very high89.4Confident160 Ų16055.9 Ų55.974%0.74126%0.262SS*.Hα-helixtrans-63-39.7177.5179.458.8000112.9L147 I148 G153L147-H151 WeakPolarHBondContact O-CB 3.24Å; L147-H151 PolarHBondContact O-N 3.08Å; I148-H151 WeakPolarHBondContact O-CA 3.48Å; I148-H151 WeakPolarHBondContact O-CB 3.27Å; I148-H151 PolarHBondContact O-N 3.04Å; H151-G153 PolarHBondContact O-N 2.95Å
152F92.6Very high89.5Confident50 Ų5057.3 Ų57.322%0.21927%0.271CS..THydrogen-bonded Turntrans-77.9-5.1175.9-81.9-94.2000113.1I148 A149 E150 I154 R268 F319 Q321I148-F152 HydrophobicContact CG2-CD2 3.74Å; I148-F152 HydrophobicContact CG2-CE2 3.71Å; I148-F152 WeakPolarHBondContact O-CD2 3.25Å; I148-F152 PolarHBondContact O-N 3.11Å; A149-F152 PolarHBondContact O-N 3.24Å; E150-F152 VanDerWaalsContact C-N 3.34Å; E150-F152 PolarHBondContact O-N 2.87Å; F152-I154 VanDerWaalsContact C-N 3.31Å; F152-I154 HydrophobicContact CB-CD1 4.14Å; F152-I154 HydrophobicContact CB-CG1 3.97Å; F152-I154 PolarHBondContact O-N 3.03Å; F152-R268 PolarHBondContact O-NH1 3.17Å; F152-F319 HydrophobicContact CB-CE2 4.18Å; F152-F319 HydrophobicContact CB-CZ 4.36Å; F152-F319 AromaticContact CD1-CE2 3.9Å; F152-F319 HydrophobicContact CD1-CE2 3.9Å; F152-F319 AromaticContact CD2-CE2 3.65Å; F152-F319 HydrophobicContact CD2-CE2 3.65Å; F152-F319 AromaticContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CE1-CE2 4.14Å; F152-F319 AromaticContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CZ 4.16Å; F152-F319 AromaticContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CZ 4.05Å; F152-F319 HydrophobicContact CZ-CE2 4.14Å; F152-Q321 HydrophobicContact CE1-CG 4.31Å
153G91.4Very high89.6Confident14 Ų1458.2 Ų58.214%0.14428%0.277CS..THydrogen-bonded Turntrans73.615.5-179.700000114.9A149 E150 H151 Y155 E156 D157A149-G153 PolarHBondContact O-N 2.81Å; A149-G153 VanDerWaalsContact O-N 3.13Å; E150-G153 PolarHBondContact O-N 2.7Å; E150-G153 VanDerWaalsContact O-N 3.1Å; H151-G153 PolarHBondContact O-N 2.95Å; G153-Y155 PolarHBondContact O-N 3.2Å; G153-E156 PolarHBondContact O-N 3.24Å; G153-D157 VanDerWaalsContact O-CG 3.3Å; G153-D157 PolarHBondContact O-N 3.18Å
154I92.6Very high89.8Confident2 Ų255.6 Ų55.61%0.0127%0.265CS..Hα-helixtrans-63.7-43.8-172.7-65.2175.2000111.6A149 F152 L158 V270 L317 F319A149-I154 HydrophobicContact CB-CB 4.37Å; A149-I154 HydrophobicContact CB-CD1 4.3Å; A149-I154 PolarHBondContact O-N 3.34Å; F152-I154 VanDerWaalsContact C-N 3.31Å; F152-I154 HydrophobicContact CB-CD1 4.14Å; F152-I154 HydrophobicContact CB-CG1 3.97Å; F152-I154 PolarHBondContact O-N 3.03Å; I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.82Å; I154-V270 HydrophobicContact CD1-CG2 4.16Å; I154-V270 HydrophobicContact CG1-CG2 4.23Å; I154-V270 HydrophobicContact CG2-CG1 3.95Å; I154-V270 HydrophobicContact CG2-CG2 4.15Å; I154-L317 HydrophobicContact CG2-CD1 4.37Å; I154-F319 HydrophobicContact CD1-CB 4.17Å; I154-F319 HydrophobicContact CD1-CD1 3.26Å; I154-F319 HydrophobicContact CD1-CD2 3.7Å; I154-F319 HydrophobicContact CD1-CE1 3.37Å; I154-F319 HydrophobicContact CD1-CE2 3.8Å; I154-F319 HydrophobicContact CD1-CG 3.43Å; I154-F319 VanDerWaalsContact CD1-CG 3.43Å; I154-F319 HydrophobicContact CD1-CZ 3.63Å
155Y92Very high90Very high6 Ų648.7 Ų48.72%0.02424%0.239CC..Hα-helixtrans-67.1-40.1-179.6-61.4-59.1000112.2K146 A149 E150 G153 D157 F159 E160 C163 F164 F165K146-Y155 HydrophobicContact CG-CE2 4.07Å; A149-Y155 HydrophobicContact CB-CD2 4.11Å; A149-Y155 HydrophobicContact CB-CE2 3.46Å; A149-Y155 VanDerWaalsContact CB-CE2 3.46Å; E150-Y155 HydrophobicContact CG-CD2 3.76Å; E150-Y155 HydrophobicContact CG-CE2 4.01Å; G153-Y155 PolarHBondContact O-N 3.2Å; Y155-D157 VanDerWaalsContact C-N 3.3Å; Y155-D157 PolarHBondContact O-N 2.94Å; Y155-F159 PolarHBondContact O-N 2.85Å; Y155-E160 PolarHBondContact O-N 2.97Å; Y155-C163 WeakPolarHBondContact CB-O 3.45Å; Y155-F164 HydrophobicContact CD2-CB 4.42Å; Y155-F164 HydrophobicContact CG-CB 4.48Å; Y155-F165 HydrophobicContact CD1-CD1 4.13Å; Y155-F165 HydrophobicContact CD1-CE1 4.15Å; Y155-F165 AromaticContact CE1-CD1 3.56Å; Y155-F165 HydrophobicContact CE1-CD1 3.56Å; Y155-F165 AromaticContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CG 4.25Å; Y155-F165 HydrophobicContact CE1-CZ 4.26Å; Y155-F165 PolarHBondContact OH-O 3.3Å
156E89.4Confident90.1Very high95 Ų9550.5 Ų50.544%0.44425%0.245SC..Hα-helixtrans-61.6-41.8179.9-58.5-167.8-16900111.2G153 E160 K161G153-E156 PolarHBondContact O-N 3.24Å; E156-E160 WeakPolarHBondContact O-CA 3.1Å; E156-E160 PolarHBondContact O-N 2.98Å; E156-K161 HydrophobicContact CB-CG 4.3Å; E156-K161 HydrophobicContact CG-CG 4.25Å
157D90.2Very high90.1Very high80 Ų8049.4 Ų49.443%0.42824%0.241SC..Hα-helixtrans-79.1-37.3-176.6-62.1-28.1000112.6G153 Y155 P222 R268G153-D157 VanDerWaalsContact O-CG 3.3Å; G153-D157 PolarHBondContact O-N 3.18Å; Y155-D157 VanDerWaalsContact C-N 3.3Å; Y155-D157 PolarHBondContact O-N 2.94Å; D157-P222 HydrophobicContact CB-CB 4.37Å; D157-R268 IonicContact OD2-CZ 2.74Å; D157-R268 IonicContact OD2-NH1 3.65Å; D157-R268 PolarHBondContact OD2-NH1 3.43Å; D157-R268 IonicContact OD2-NH2 3.69Å; D157-R268 PolarHBondContact OD2-NH2 3.4Å
158L91.5Very high89.9Confident2 Ų247.8 Ų47.81%0.0124%0.235CC..Hα-helixtrans-89-34.6-175.3-65-174.6000114.6I154 V220 E232 V270 V272 L301 L302I154-L158 HydrophobicContact CG2-CD1 3.57Å; I154-L158 HydrophobicContact CG2-CG 4.19Å; I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.45Å; I154-L158 VanDerWaalsContact O-CG 3.28Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.82Å; L158-V220 HydrophobicContact CD1-CG2 4.44Å; L158-V220 HydrophobicContact CD2-CG2 3.86Å; L158-E232 HydrophobicContact CD2-CG 4.01Å; L158-E232 VanDerWaalsContact CD2-OE1 3.28Å; L158-E232 WeakPolarHBondContact CD2-OE1 3.35Å; L158-E232 WeakPolarHBondContact CD2-OE2 3.47Å; L158-V270 HydrophobicContact CD1-CB 4.26Å; L158-V270 HydrophobicContact CD1-CG1 3.86Å; L158-V272 HydrophobicContact CD1-CG2 4.13Å; L158-L301 HydrophobicContact CB-CD2 4.21Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.23Å; L158-L301 HydrophobicContact CG-CD2 4.38Å; L158-L302 WeakPolarHBondContact O-CB 3.42Å; L158-L302 PolarHBondContact O-N 3.36Å
159F87.5Confident89.7Confident7 Ų746.1 Ų46.13%0.03123%0.227CC..Hα-helixtrans-130.53.2-169.8-63.1-78.8000114.6I94 Y155 C163 F165 F274 L301 Y305I94-F159 HydrophobicContact CD1-CB 4.13Å; I94-F159 HydrophobicContact CD1-CD1 3.44Å; I94-F159 VanDerWaalsContact CD1-CD1 3.44Å; I94-F159 HydrophobicContact CD1-CD2 4.16Å; I94-F159 HydrophobicContact CD1-CE1 3.77Å; I94-F159 HydrophobicContact CD1-CE2 4.46Å; I94-F159 HydrophobicContact CD1-CG 3.65Å; I94-F159 HydrophobicContact CD1-CZ 4.27Å; Y155-F159 PolarHBondContact O-N 2.85Å; F159-C163 HydrophobicContact CB-CB 3.77Å; F159-C163 WeakPolarHBondContact O-CB 3.44Å; F159-C163 PolarHBondContact O-SG 2.91Å; F159-F165 HydrophobicContact CD2-CE1 4.45Å; F159-F165 HydrophobicContact CE2-CD1 4.29Å; F159-F165 AromaticContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CZ-CE1 4.31Å; F159-F274 HydrophobicContact CE1-CE1 4.35Å; F159-F274 HydrophobicContact CE1-CZ 4.43Å; F159-F274 HydrophobicContact CZ-CE1 4.13Å; F159-F274 HydrophobicContact CZ-CZ 4.06Å; F159-L301 HydrophobicContact CE2-CD2 4.32Å; F159-L301 HydrophobicContact CZ-CD2 3.95Å; F159-Y305 HydrophobicContact CD1-CD1 4.2Å; F159-Y305 HydrophobicContact CD1-CG 4.35Å; F159-Y305 HydrophobicContact CE1-CD1 4.22Å; F159-Y305 HydrophobicContact CE1-CD2 4.28Å; F159-Y305 AromaticContact CE1-CG 3.94Å; F159-Y305 HydrophobicContact CE1-CG 3.94Å
160E85.1Confident89.4Confident111 Ų11148.5 Ų48.552%0.51924%0.24SC..  trans78.2159.6-169.3-61.6170.8-174.400115.8Y155 E156 N162 C163 L302Y155-E160 PolarHBondContact O-N 2.97Å; E156-E160 WeakPolarHBondContact O-CA 3.1Å; E156-E160 PolarHBondContact O-N 2.98Å; E160-N162 PolarHBondContact O-N 3.13Å; E160-C163 PolarHBondContact O-N 3.46Å; E160-C163 VanDerWaalsContact O-N 3.14Å; E160-L302 HydrophobicContact CB-CD1 4.43Å; E160-L302 HydrophobicContact CG-CD1 3.5Å; E160-L302 VanDerWaalsContact CG-CD1 3.5Å
161K82.1Confident89.4Confident136 Ų13646.3 Ų46.359%0.59123%0.23SC*.THydrogen-bonded Turntrans-56.4-27.3-170-64.9-173.8175.4-174.70116E156E156-K161 HydrophobicContact CB-CG 4.3Å; E156-K161 HydrophobicContact CG-CG 4.25Å
162N83.3Confident89.3Confident68 Ų6846 Ų4636%0.36422%0.222SC..THydrogen-bonded Turntrans-97-4.2-174.3-65.1-15.2000113.2K91 I92 E160K91-N162 CarbonylContact C-O 3.22Å; K91-N162 WeakPolarHBondContact CA-O 3.45Å; I92-N162 PolarHBondContact N-O 3.46Å; E160-N162 PolarHBondContact O-N 3.13Å
163C88.7Confident89.3Confident26 Ų2643.8 Ų43.818%0.17621%0.213CC..EExtended strand (participates in β ladder)trans-100.8139-175.3-65.20000110.6I94 Y155 F159 E160I94-C163 HydrophobicContact CD1-CB 4.43Å; I94-C163 HydrophobicContact CG2-CB 4.22Å; Y155-C163 WeakPolarHBondContact CB-O 3.45Å; F159-C163 HydrophobicContact CB-CB 3.77Å; F159-C163 WeakPolarHBondContact O-CB 3.44Å; F159-C163 PolarHBondContact O-SG 2.91Å; E160-C163 PolarHBondContact O-N 3.46Å; E160-C163 VanDerWaalsContact O-N 3.14Å
164F91.1Very high89.4Confident20 Ų2044.4 Ų44.49%0.08822%0.215CC..EExtended strand (participates in β ladder)trans-146.5162.516970.8-83.1000110.4K91 I92 N93 I94 K146 Y155 Y166K91-F164 HydrophobicContact CB-CD1 3.69Å; K91-F164 HydrophobicContact CB-CE1 3.5Å; K91-F164 VanDerWaalsContact CB-CE1 3.5Å; K91-F164 HydrophobicContact CD-CD1 4.41Å; I92-F164 WeakPolarHBondContact O-CD1 3.35Å; I92-F164 PolarHBondContact O-N 3.03Å; N93-F164 CarbonylContact C-O 3.58Å; N93-F164 VanDerWaalsContact CA-O 3.25Å; N93-F164 WeakPolarHBondContact CA-O 3.34Å; N93-F164 HydrophobicContact CB-CE1 4.35Å; N93-F164 HydrophobicContact CB-CE2 3.99Å; N93-F164 HydrophobicContact CB-CZ 3.85Å; N93-F164 PolarHBondContact OD1-O 3.47Å; I94-F164 WeakPolarHBondContact CG1-O 3.32Å; I94-F164 PolarHBondContact N-O 3.39Å; K146-F164 HydrophobicContact CD-CD2 3.88Å; K146-F164 HydrophobicContact CD-CE2 4.33Å; K146-F164 VanDerWaalsContact NZ-CD2 3.33Å; K146-F164 VanDerWaalsContact NZ-CE2 3.29Å; Y155-F164 HydrophobicContact CD2-CB 4.42Å; Y155-F164 HydrophobicContact CG-CB 4.48Å; F164-Y166 HydrophobicContact CD2-CE2 4.35Å; F164-Y166 HydrophobicContact CE2-CD2 4.25Å; F164-Y166 AromaticContact CE2-CE2 3.57Å; F164-Y166 HydrophobicContact CE2-CE2 3.57Å; F164-Y166 AromaticContact CE2-CZ 3.82Å
165F92.5Very high89.5Confident1 Ų144.3 Ų44.30%0.00421%0.214CC..  trans-141.4153.8167.168.5-87.7000111.3N93 I94 Y155 F159 P167 V272 P314 L317N93-F165 WeakPolarHBondContact OD1-CA 3.49Å; I94-F165 HydrophobicContact CD1-CD1 4.34Å; I94-F165 HydrophobicContact CG1-CB 3.99Å; I94-F165 HydrophobicContact CG1-CD1 4.34Å; Y155-F165 HydrophobicContact CD1-CD1 4.13Å; Y155-F165 HydrophobicContact CD1-CE1 4.15Å; Y155-F165 AromaticContact CE1-CD1 3.56Å; Y155-F165 HydrophobicContact CE1-CD1 3.56Å; Y155-F165 AromaticContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CE1 3.57Å; Y155-F165 HydrophobicContact CE1-CG 4.25Å; Y155-F165 HydrophobicContact CE1-CZ 4.26Å; Y155-F165 PolarHBondContact OH-O 3.3Å; F159-F165 HydrophobicContact CD2-CE1 4.45Å; F159-F165 HydrophobicContact CE2-CD1 4.29Å; F159-F165 AromaticContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CE2-CE1 3.75Å; F159-F165 HydrophobicContact CZ-CE1 4.31Å; F165-P167 HydrophobicContact CE2-CB 4.28Å; F165-V272 HydrophobicContact CZ-CG1 4.42Å; F165-P314 HydrophobicContact CB-CG 4.12Å; F165-P314 HydrophobicContact CD1-CB 3.86Å; F165-P314 HydrophobicContact CD1-CG 3.99Å; F165-P314 HydrophobicContact CD2-CB 3.96Å; F165-P314 HydrophobicContact CD2-CG 4.42Å; F165-P314 HydrophobicContact CE1-CB 3.94Å; F165-P314 HydrophobicContact CE2-CB 4.04Å; F165-P314 HydrophobicContact CG-CB 3.88Å; F165-P314 HydrophobicContact CG-CG 3.94Å; F165-P314 HydrophobicContact CZ-CB 4.04Å; F165-L317 HydrophobicContact CE2-CB 4.2Å; F165-L317 HydrophobicContact CZ-CB 4.03Å; F165-L317 HydrophobicContact CZ-CD1 4.3Å
166Y91Very high89.4Confident46 Ų4646 Ų4618%0.1823%0.228CC..  trans-86.1122.5169.3-65.7-75.9000108.9W98 K146 F164 V168W98-Y166 HydrophobicContact CB-CD2 4.03Å; W98-Y166 HydrophobicContact CB-CG 4.13Å; W98-Y166 HydrophobicContact CE3-CE1 4.27Å; K146-Y166 HydrophobicContact CB-CD1 4.33Å; K146-Y166 HydrophobicContact CB-CE1 4.37Å; K146-Y166 HydrophobicContact CD-CD1 4.16Å; K146-Y166 HydrophobicContact CD-CE1 3.53Å; F164-Y166 HydrophobicContact CD2-CE2 4.35Å; F164-Y166 HydrophobicContact CE2-CD2 4.25Å; F164-Y166 AromaticContact CE2-CE2 3.57Å; F164-Y166 HydrophobicContact CE2-CE2 3.57Å; F164-Y166 AromaticContact CE2-CZ 3.82Å; Y166-V168 VanDerWaalsContact C-N 3.31Å; Y166-V168 PolarHBondContact O-N 2.8Å
167P90.5Very high89.3Confident1 Ų142.7 Ų42.71%0.00621%0.214CC..  trans-71.491.4170.728.5-31.6000108.5P142 L145 F165 V169 A315 L317P142-P167 WeakPolarHBondContact CB-O 3.21Å; L145-P167 HydrophobicContact CB-CG 3.51Å; L145-P167 HydrophobicContact CD1-CB 4.3Å; L145-P167 HydrophobicContact CD1-CG 3.7Å; L145-P167 HydrophobicContact CG-CG 4.2Å; F165-P167 HydrophobicContact CE2-CB 4.28Å; P167-V169 VanDerWaalsContact C-N 3.35Å; P167-A315 CarbonylContact C-O 3.45Å; P167-A315 VanDerWaalsContact CA-O 3.25Å; P167-A315 WeakPolarHBondContact CA-O 3.29Å; P167-L317 HydrophobicContact CB-CB 4.04Å
168V87Confident89Confident64 Ų6445.5 Ų45.539%0.38823%0.228SC..  trans-76.4-27.9179.8-179.30000111F96 Y166 A315F96-V168 HydrophobicContact CB-CG2 4.11Å; Y166-V168 VanDerWaalsContact C-N 3.31Å; Y166-V168 PolarHBondContact O-N 2.8Å; V168-A315 PolarHBondContact N-O 3.42Å
169V88.4Confident88.7Confident23 Ų2348.6 Ų48.614%0.13925%0.248CC..SBendtrans-98.5118.6179.6-178.40000109.4P167 L171 Y207 W215 L273 A315 G316P167-V169 VanDerWaalsContact C-N 3.35Å; V169-L171 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact O-N 3.08Å; V169-Y207 HydrophobicContact CG1-CD2 4.47Å; V169-W215 HydrophobicContact CG2-CH2 3.86Å; V169-W215 HydrophobicContact CG2-CZ3 4.16Å; V169-L273 HydrophobicContact CG1-CD2 3.98Å; V169-A315 HydrophobicContact CB-CB 4.39Å; V169-A315 HydrophobicContact CG2-CB 3.95Å; V169-A315 PolarHBondContact N-O 3.33Å; V169-G316 WeakPolarHBondContact O-CA 3.43Å
170N87.4Confident88.3Confident51 Ų5158 Ų5827%0.27329%0.291SS..  trans-70.6103.9177-70.38000110E141E141-N170 PolarHBondContact OE2-ND2 2.85Å
171L90.3Very high88Confident9 Ų960.5 Ų60.55%0.04731%0.309CS..  trans-89.2107.7176.5-179.667.4000109.1V169 I205 Y207 L217 L271 L273 A318V169-L171 PolarHBondContact O-N 2.83Å; V169-L171 VanDerWaalsContact O-N 3.08Å; L171-I205 HydrophobicContact CD1-CG2 3.57Å; L171-Y207 HydrophobicContact CD1-CD1 4.09Å; L171-L217 HydrophobicContact CD2-CD1 4.44Å; L171-L271 HydrophobicContact CD2-CB 3.94Å; L171-L273 HydrophobicContact CD1-CB 4.38Å; L171-L273 HydrophobicContact CD1-CD2 4.3Å; L171-L273 HydrophobicContact CD2-CB 4.21Å; L171-A318 HydrophobicContact CB-CB 4.46Å; L171-A318 HydrophobicContact CD2-CB 3.9Å; L171-A318 HydrophobicContact CG-CB 4.21Å
172R91Very high88.1Confident155 Ų15555.8 Ų55.859%0.58530%0.298SS*.EExtended strand (participates in β ladder)trans-98119.7173.6-66.1-178.8177.3177.2-3108.8I205 S206R172-I205 WeakPolarHBondContact O-CA 3.3Å; R172-S206 PolarHBondContact N-O 3.17Å; R172-S206 PolarHBondContact O-N 2.98Å
173A92.9Very high88.1Confident3 Ų356.2 Ų56.23%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-115.6141.5172.800000109.5V188 P203 L204 I205 L271A173-V188 HydrophobicContact CB-CB 3.91Å; A173-V188 HydrophobicContact CB-CG2 3.9Å; A173-V188 WeakPolarHBondContact O-CB 3.36Å; A173-V188 PolarHBondContact O-N 3.32Å; A173-P203 HydrophobicContact CB-CB 4.32Å; A173-L204 CarbonylContact C-O 3.58Å; A173-L204 WeakPolarHBondContact CA-O 3.47Å; A173-I205 HydrophobicContact CB-CG1 4.13Å; A173-L271 HydrophobicContact CB-CD1 3.79Å
174S93.4Very high88Confident26 Ų2656.8 Ų56.818%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-141.2132.5177.9570000111.2R186 P203 L204S174-R186 CarbonylContact C-O 3.57Å; S174-R186 VanDerWaalsContact CA-O 3.29Å; S174-R186 WeakPolarHBondContact CA-O 3.37Å; S174-P203 CarbonylContact O-C 3.56Å; S174-P203 WeakPolarHBondContact O-CA 3.31Å; S174-L204 PolarHBondContact N-O 3.24Å; S174-L204 PolarHBondContact O-N 3.2Å; S174-L204 PolarHBondContact OG-O 3.17Å
175F93.4Very high87.8Confident0 Ų062.5 Ų62.50%033%0.332CS..EExtended strand (participates in β ladder)trans-91.7133.8176-70.4-78000110.2Y185 R186 V188 I194 A199 A201 P203 Y255 F320F175-Y185 CarbonylContact O-C 3.56Å; F175-Y185 WeakPolarHBondContact O-CA 3.45Å; F175-R186 HydrophobicContact CB-CB 4.47Å; F175-R186 PolarHBondContact N-O 2.98Å; F175-R186 PolarHBondContact O-N 2.81Å; F175-V188 HydrophobicContact CD2-CG2 3.69Å; F175-V188 HydrophobicContact CE2-CG2 3.44Å; F175-V188 VanDerWaalsContact CE2-CG2 3.44Å; F175-I194 HydrophobicContact CD2-CD1 3.83Å; F175-I194 HydrophobicContact CD2-CG2 4.17Å; F175-I194 HydrophobicContact CE2-CD1 3.86Å; F175-I194 HydrophobicContact CE2-CG2 4.41Å; F175-A199 HydrophobicContact CD1-CB 4.07Å; F175-A199 HydrophobicContact CE1-CB 3.78Å; F175-A199 HydrophobicContact CE2-CB 4.38Å; F175-A199 HydrophobicContact CG-CB 4.48Å; F175-A199 HydrophobicContact CZ-CB 3.96Å; F175-A201 WeakPolarHBondContact CD1-O 3.49Å; F175-P203 HydrophobicContact CD1-CB 3.86Å; F175-P203 HydrophobicContact CE1-CB 3.61Å; F175-P203 HydrophobicContact CE1-CG 3.85Å; F175-P203 HydrophobicContact CE2-CB 4.35Å; F175-P203 HydrophobicContact CG-CB 4.33Å; F175-P203 HydrophobicContact CZ-CB 3.88Å; F175-P203 HydrophobicContact CZ-CG 4.04Å; F175-Y255 WeakPolarHBondContact CE1-OH 3.3Å; F175-F320 HydrophobicContact CE2-CD1 4.33Å; F175-F320 AromaticContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE2 4.26Å; F175-F320 AromaticContact CE2-CZ 3.78Å; F175-F320 HydrophobicContact CE2-CZ 3.78Å; F175-F320 AromaticContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE2 4.37Å; F175-F320 AromaticContact CZ-CZ 3.6Å; F175-F320 HydrophobicContact CZ-CZ 3.6Å
176S90.9Very high87.7Confident43 Ų4369 Ų6930%0.30136%0.356SS..EExtended strand (participates in β ladder)trans-80.4120.9171.255.60000109.8
177V88.2Confident87.7Confident25 Ų2569.2 Ų69.215%0.15236%0.364CS..EExtended strand (participates in β ladder)trans-114.7118.4177.2-175.80000108.1T179 A184 R186 E198V177-T179 HydrophobicContact CG1-CG2 4.18Å; V177-T179 PolarHBondContact O-N 3.41Å; V177-A184 PolarHBondContact N-O 2.9Å; V177-A184 PolarHBondContact O-N 3.14Å; V177-R186 HydrophobicContact CG2-CB 4.34Å; V177-R186 HydrophobicContact CG2-CG 3.66Å; V177-E198 HydrophobicContact CG1-CG 4.24Å; V177-E198 HydrophobicContact CG2-CB 3.78Å; V177-E198 HydrophobicContact CG2-CG 3.77Å
178D83.8Confident87.8Confident138 Ų13869.6 Ų69.674%0.73837%0.366SS*.EExtended strand (participates in β ladder)trans-74.7110.3174.7-62.9-30.7000108.8
179T83.7Confident87.8Confident67 Ų6772.2 Ų72.241%0.41137%0.37SS..EExtended strand (participates in β ladder)trans-108.8160.8172.858.60000110V177 D181 G182 A184V177-T179 HydrophobicContact CG1-CG2 4.18Å; V177-T179 PolarHBondContact O-N 3.41Å; T179-D181 PolarHBondContact O-N 2.85Å; T179-D181 VanDerWaalsContact O-N 3.11Å; T179-G182 CarbonylContact C-O 3.57Å; T179-G182 WeakPolarHBondContact CA-O 3.35Å; T179-G182 PolarHBondContact N-O 2.95Å; T179-G182 PolarHBondContact O-N 2.89Å; T179-G182 PolarHBondContact OG1-O 2.85Å; T179-A184 HydrophobicContact CG2-CB 4.2Å
180E80.6Confident87.9Confident204 Ų20473.4 Ų73.495%0.95337%0.373SS*.THydrogen-bonded Turntrans-56.5-29.1178.8-63.6-179-17900112.4
181D78.6Confident88Confident165 Ų16571.6 Ų71.688%0.88237%0.367SS*.THydrogen-bonded Turntrans-89.31.5-179.6-62.3-42.7000114.1T179T179-D181 PolarHBondContact O-N 2.85Å; T179-D181 VanDerWaalsContact O-N 3.11Å
182G83.6Confident88.2Confident36 Ų3673.3 Ų73.337%0.37138%0.376SS..EExtended strand (participates in β ladder)trans128-167.5-179.200000114T179 A184T179-G182 CarbonylContact C-O 3.57Å; T179-G182 WeakPolarHBondContact CA-O 3.35Å; T179-G182 PolarHBondContact N-O 2.95Å; T179-G182 PolarHBondContact O-N 2.89Å; T179-G182 PolarHBondContact OG1-O 2.85Å; G182-A184 PolarHBondContact O-N 2.9Å
183V83Confident88.4Confident77 Ų7770.7 Ų70.747%0.46737%0.373SS..EExtended strand (participates in β ladder)trans-85.1111178.9-174.90000109.3Y185V183-Y185 HydrophobicContact CG1-CE2 4.41Å
184A86.1Confident88.4Confident38 Ų3870.7 Ų70.731%0.31437%0.372SS..EExtended strand (participates in β ladder)trans-92.8137173.700000110.1V177 T179 G182V177-A184 PolarHBondContact N-O 2.9Å; V177-A184 PolarHBondContact O-N 3.14Å; T179-A184 HydrophobicContact CG2-CB 4.2Å; G182-A184 PolarHBondContact O-N 2.9Å
185Y87.5Confident88.4Confident140 Ų14071.9 Ų71.955%0.54938%0.379SS..EExtended strand (participates in β ladder)trans-98.7121.1175.7-65.7-83.6000110.5F175 V183 P187 L204F175-Y185 CarbonylContact O-C 3.56Å; F175-Y185 WeakPolarHBondContact O-CA 3.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.41Å; Y185-P187 WeakPolarHBondContact O-CD 3.41Å; Y185-L204 HydrophobicContact CE1-CD2 4.49Å
186R90.4Very high88.4Confident137 Ų13771.9 Ų71.952%0.51738%0.379SS..EExtended strand (participates in β ladder)trans-95.7107.4174.2-73.1-65.6-160.9-166.4-5109.8S174 F175 V177 E198S174-R186 CarbonylContact C-O 3.57Å; S174-R186 VanDerWaalsContact CA-O 3.29Å; S174-R186 WeakPolarHBondContact CA-O 3.37Å; F175-R186 HydrophobicContact CB-CB 4.47Å; F175-R186 PolarHBondContact N-O 2.98Å; F175-R186 PolarHBondContact O-N 2.81Å; V177-R186 HydrophobicContact CG2-CB 4.34Å; V177-R186 HydrophobicContact CG2-CG 3.66Å; R186-E198 IonicContact CZ-OE1 3.68Å; R186-E198 IonicContact NE-OE1 3.75Å; R186-E198 PolarHBondContact NE-OE1 3.11Å; R186-E198 VanDerWaalsContact NE-OE1 3.11Å; R186-E198 IonicContact NH2-OE1 3.83Å
187P91.4Very high88.4Confident52 Ų5273.4 Ų73.434%0.33839%0.386SS..EExtended strand (participates in β ladder)trans-69.5141.6177.428-33.8000111.6Y185 Y189 N192Y185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-Y189 HydrophobicContact CB-CE2 4.05Å; P187-Y189 HydrophobicContact CG-CD2 4.48Å; P187-Y189 HydrophobicContact CG-CE2 3.62Å; P187-N192 PolarHBondContact O-ND2 3.48Å
188V92.6Very high88.6Confident9 Ų973.9 Ų73.96%0.05539%0.387CS..EExtended strand (participates in β ladder)trans-89.7123.7169.4178.50000107.6A173 F175 I194 A318 F320A173-V188 HydrophobicContact CB-CB 3.91Å; A173-V188 HydrophobicContact CB-CG2 3.9Å; A173-V188 WeakPolarHBondContact O-CB 3.36Å; A173-V188 PolarHBondContact O-N 3.32Å; F175-V188 HydrophobicContact CD2-CG2 3.69Å; F175-V188 HydrophobicContact CE2-CG2 3.44Å; F175-V188 VanDerWaalsContact CE2-CG2 3.44Å; V188-I194 HydrophobicContact CB-CD1 4.46Å; V188-I194 HydrophobicContact CG2-CD1 3.71Å; V188-A318 HydrophobicContact CG1-CB 4.37Å; V188-F320 HydrophobicContact CG1-CB 4.14Å; V188-F320 HydrophobicContact CG1-CD1 3.72Å; V188-F320 HydrophobicContact CG1-CG 4.35Å; V188-F320 HydrophobicContact CG2-CD1 4.2Å
189Y87.4Confident89Confident118 Ų11867.3 Ų67.346%0.46335%0.352SS..  trans-106.4-131.8174-65.9-75.1000109.3P187 N192 F319P187-Y189 HydrophobicContact CB-CE2 4.05Å; P187-Y189 HydrophobicContact CG-CD2 4.48Å; P187-Y189 HydrophobicContact CG-CE2 3.62Å; Y189-N192 PolarHBondContact N-OD1 3.23Å; Y189-F319 CarbonylContact C-O 3.54Å; Y189-F319 PolarHBondContact O-N 3.25Å
190F89.2Confident89.3Confident49 Ų4967.3 Ų67.322%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-12469-174.6-51.4-72.9000109.8L145 I148 L317 F319L145-F190 HydrophobicContact CD1-CD1 4.28Å; L145-F190 HydrophobicContact CD1-CE1 3.44Å; L145-F190 VanDerWaalsContact CD1-CE1 3.44Å; L145-F190 HydrophobicContact CD1-CE2 4.18Å; L145-F190 HydrophobicContact CD1-CZ 3.38Å; L145-F190 HydrophobicContact CD2-CB 4.44Å; L145-F190 HydrophobicContact CD2-CD1 3.53Å; L145-F190 HydrophobicContact CD2-CD2 3.29Å; L145-F190 HydrophobicContact CD2-CE1 3.43Å; L145-F190 VanDerWaalsContact CD2-CE1 3.43Å; L145-F190 HydrophobicContact CD2-CE2 3.21Å; L145-F190 HydrophobicContact CD2-CG 3.46Å; L145-F190 VanDerWaalsContact CD2-CG 3.46Å; L145-F190 HydrophobicContact CD2-CZ 3.26Å; L145-F190 HydrophobicContact CG-CD1 4.4Å; L145-F190 HydrophobicContact CG-CE1 3.98Å; L145-F190 HydrophobicContact CG-CE2 4.28Å; L145-F190 HydrophobicContact CG-CZ 3.92Å; I148-F190 HydrophobicContact CD1-CB 4.47Å; I148-F190 HydrophobicContact CG2-CB 4.17Å; F190-L317 WeakPolarHBondContact CE1-O 3.36Å; F190-F319 VanDerWaalsContact C-CE2 3.43Å; F190-F319 HydrophobicContact CB-CE1 3.94Å; F190-F319 HydrophobicContact CB-CZ 3.95Å; F190-F319 HydrophobicContact CD1-CD1 4.46Å; F190-F319 HydrophobicContact CD1-CE1 4.21Å
191G90.4Very high89.7Confident13 Ų1359.4 Ų59.413%0.13432%0.323CS..EExtended strand (participates in β ladder)trans104.417.2178.500000115.1F319G191-F319 PolarHBondContact N-O 3.44Å
192N94.2Very high90.4Very high45 Ų4554.7 Ų54.724%0.24130%0.302CS..EExtended strand (participates in β ladder)trans-66.1152.2170.863-52.6000111.3P187 Y189 F320 Q321P187-N192 PolarHBondContact O-ND2 3.48Å; Y189-N192 PolarHBondContact N-OD1 3.23Å; N192-F320 WeakPolarHBondContact O-CA 3.43Å; N192-F320 WeakPolarHBondContact O-CB 3.29Å; N192-Q321 PolarHBondContact O-N 2.82Å
193L94.8Very high90.9Very high100 Ų10053.3 Ų53.352%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-81.5126.2176.7-173.170.7000109.8L266 Q321L193-L266 HydrophobicContact CD1-CD2 3.67Å; L193-Q321 WeakPolarHBondContact CA-O 3.46Å; L193-Q321 HydrophobicContact CD1-CB 4.36Å
194I93.6Very high91.3Very high2 Ų254.9 Ų54.91%0.0129%0.291CS..  trans-128133.8174.4-57.8-178.7000107.4F175 V188 E198 A199 F320 Q321 C322F175-I194 HydrophobicContact CD2-CD1 3.83Å; F175-I194 HydrophobicContact CD2-CG2 4.17Å; F175-I194 HydrophobicContact CE2-CD1 3.86Å; F175-I194 HydrophobicContact CE2-CG2 4.41Å; V188-I194 HydrophobicContact CB-CD1 4.46Å; V188-I194 HydrophobicContact CG2-CD1 3.71Å; I194-E198 HydrophobicContact CG2-CB 4.04Å; I194-A199 HydrophobicContact CG2-CB 4.23Å; I194-F320 HydrophobicContact CB-CD2 3.8Å; I194-F320 HydrophobicContact CB-CE2 4.32Å; I194-F320 HydrophobicContact CB-CG 4.47Å; I194-F320 HydrophobicContact CD1-CB 3.77Å; I194-F320 HydrophobicContact CD1-CD1 4.38Å; I194-F320 HydrophobicContact CD1-CD2 3.96Å; I194-F320 HydrophobicContact CD1-CG 3.8Å; I194-F320 HydrophobicContact CG1-CB 4.09Å; I194-F320 HydrophobicContact CG1-CD2 4.14Å; I194-F320 HydrophobicContact CG1-CG 4.31Å; I194-Q321 PolarHBondContact N-O 3.33Å; I194-C322 WeakPolarHBondContact O-CA 3.34Å; I194-C322 PolarHBondContact O-SG 3.2Å
195T93.1Very high91.7Very high52 Ų5253.7 Ų53.732%0.31928%0.279SS..  trans-79.9149.1179.760.50000111.1T197 E198 A199T195-T197 PolarHBondContact O-N 2.89Å; T195-T197 VanDerWaalsContact O-N 3.13Å; T195-E198 PolarHBondContact N-OE2 3.23Å; T195-E198 PolarHBondContact O-N 2.85Å; T195-E198 WeakPolarHBondContact OG1-CG 3.44Å; T195-E198 PolarHBondContact OG1-N 3.36Å; T195-E198 PolarHBondContact OG1-OE2 3.38Å; T195-A199 PolarHBondContact O-N 3.23Å
196P92.8Very high91.9Very high0 Ų050.5 Ų50.50%028%0.278CS..THydrogen-bonded Turntrans-57.5-26.5173.5-27.136.1000113.6A199 C200 P260 C322 E323 D325 C328P196-A199 CarbonylContact O-C 3.49Å; P196-A199 PolarHBondContact O-N 3.11Å; P196-C200 PolarHBondContact O-N 2.9Å; P196-P260 HydrophobicContact CG-CG 3.78Å; P196-C322 HydrophobicContact CG-CB 4.39Å; P196-E323 WeakPolarHBondContact CD-O 3.34Å; P196-E323 WeakPolarHBondContact CG-O 3.36Å; P196-D325 HydrophobicContact CG-CB 4.31Å; P196-C328 VanDerWaalsContact CG-SG 3.58Å
197T92Very high91.9Very high74 Ų7444.4 Ų44.445%0.45426%0.255SS..THydrogen-bonded Turntrans-68.7-41.8175.5-60.70000111.8T195 A199 D325 S327T195-T197 PolarHBondContact O-N 2.89Å; T195-T197 VanDerWaalsContact O-N 3.13Å; T197-A199 VanDerWaalsContact C-N 3.33Å; T197-D325 WeakPolarHBondContact CB-OD2 3.34Å; T197-D325 PolarHBondContact OG1-OD2 2.9Å; T197-S327 PolarHBondContact N-OG 3.12Å; T197-S327 VanDerWaalsContact OG1-CB 3.3Å; T197-S327 WeakPolarHBondContact OG1-CB 3.43Å; T197-S327 PolarHBondContact OG1-OG 3.48Å
198E91.4Very high91.8Very high36 Ų3651 Ų5117%0.16828%0.278CS..THydrogen-bonded Turntrans-69.1-32.7173-69169.113800111.8V177 R186 I194 T195 C200V177-E198 HydrophobicContact CG1-CG 4.24Å; V177-E198 HydrophobicContact CG2-CB 3.78Å; V177-E198 HydrophobicContact CG2-CG 3.77Å; R186-E198 IonicContact CZ-OE1 3.68Å; R186-E198 IonicContact NE-OE1 3.75Å; R186-E198 PolarHBondContact NE-OE1 3.11Å; R186-E198 VanDerWaalsContact NE-OE1 3.11Å; R186-E198 IonicContact NH2-OE1 3.83Å; I194-E198 HydrophobicContact CG2-CB 4.04Å; T195-E198 PolarHBondContact N-OE2 3.23Å; T195-E198 PolarHBondContact O-N 2.85Å; T195-E198 WeakPolarHBondContact OG1-CG 3.44Å; T195-E198 PolarHBondContact OG1-N 3.36Å; T195-E198 PolarHBondContact OG1-OE2 3.38Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3Å
199A92Very high91.5Very high0 Ų052.2 Ų52.20%029%0.289CS..THydrogen-bonded Turntrans-92.426.2-179.800000114F175 I194 T195 P196 T197 Y255 P258F175-A199 HydrophobicContact CD1-CB 4.07Å; F175-A199 HydrophobicContact CE1-CB 3.78Å; F175-A199 HydrophobicContact CE2-CB 4.38Å; F175-A199 HydrophobicContact CG-CB 4.48Å; F175-A199 HydrophobicContact CZ-CB 3.96Å; I194-A199 HydrophobicContact CG2-CB 4.23Å; T195-A199 PolarHBondContact O-N 3.23Å; P196-A199 CarbonylContact O-C 3.49Å; P196-A199 PolarHBondContact O-N 3.11Å; T197-A199 VanDerWaalsContact C-N 3.33Å; A199-Y255 PolarHBondContact O-OH 3.3Å; A199-P258 HydrophobicContact CB-CG 3.65Å; A199-P258 WeakPolarHBondContact O-CD 3.27Å
200C89.9Confident91.5Very high67 Ų6751.8 Ų51.845%0.45329%0.294SS..SBendtrans-67.9-38.9179.5-170.80000112.2P196 E198P196-C200 PolarHBondContact O-N 2.9Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3Å
201A90.7Very high91.2Very high38 Ų3852.7 Ų52.731%0.31432%0.318SS..SBendtrans-93.5155.9176.300000111.5F175 Y255F175-A201 WeakPolarHBondContact CD1-O 3.49Å; A201-Y255 VanDerWaalsContact C-CE1 3.46Å; A201-Y255 WeakPolarHBondContact O-CE1 3.32Å; A201-Y255 PolarHBondContact O-OH 3.34Å
202P92.1Very high90.9Very high66 Ų6659.8 Ų59.843%0.42935%0.353SS..PPolyproline II helixtrans-61.6145.3175.226.5-34.8000111.2W236 Y255P202-W236 HydrophobicContact CB-CH2 4.1Å; P202-W236 HydrophobicContact CB-CZ2 4.16Å; P202-Y255 HydrophobicContact CB-CD1 4.07Å; P202-Y255 HydrophobicContact CB-CD2 4.05Å; P202-Y255 HydrophobicContact CB-CG 3.81Å
203P93.5Very high90.8Very high7 Ų758.2 Ų58.25%0.04535%0.345CS..PPolyproline II helixtrans-72.3144.2178.828.2-30.7000111.4A173 S174 F175 I205 W236A173-P203 HydrophobicContact CB-CB 4.32Å; S174-P203 CarbonylContact O-C 3.56Å; S174-P203 WeakPolarHBondContact O-CA 3.31Å; F175-P203 HydrophobicContact CD1-CB 3.86Å; F175-P203 HydrophobicContact CE1-CB 3.61Å; F175-P203 HydrophobicContact CE1-CG 3.85Å; F175-P203 HydrophobicContact CE2-CB 4.35Å; F175-P203 HydrophobicContact CG-CB 4.33Å; F175-P203 HydrophobicContact CZ-CB 3.88Å; F175-P203 HydrophobicContact CZ-CG 4.04Å; P203-I205 HydrophobicContact CG-CD1 4.29Å; P203-I205 HydrophobicContact CG-CG1 4.37Å; P203-I205 PolarHBondContact O-N 3.29Å; P203-W236 HydrophobicContact CG-CE3 4.41Å; P203-W236 HydrophobicContact CG-CZ3 3.88Å
204L93Very high90.7Very high110 Ų11057.2 Ų57.258%0.57634%0.335SS*.EExtended strand (participates in β ladder)trans-75.2119.7165.7-177.470.9000108.8A173 S174 Y185A173-L204 CarbonylContact C-O 3.58Å; A173-L204 WeakPolarHBondContact CA-O 3.47Å; S174-L204 PolarHBondContact N-O 3.24Å; S174-L204 PolarHBondContact O-N 3.2Å; S174-L204 PolarHBondContact OG-O 3.17Å; Y185-L204 HydrophobicContact CE1-CD2 4.49Å
205I93.5Very high90.7Very high13 Ų1357.3 Ų57.37%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-110.6133.5-174.8-70.4171.7000109.7L171 R172 A173 P203 Y207 L217 W236 V246L171-I205 HydrophobicContact CD1-CG2 3.57Å; R172-I205 WeakPolarHBondContact O-CA 3.3Å; A173-I205 HydrophobicContact CB-CG1 4.13Å; P203-I205 HydrophobicContact CG-CD1 4.29Å; P203-I205 HydrophobicContact CG-CG1 4.37Å; P203-I205 PolarHBondContact O-N 3.29Å; I205-Y207 HydrophobicContact CG2-CD1 3.81Å; I205-Y207 HydrophobicContact CG2-CE1 4.09Å; I205-L217 HydrophobicContact CD1-CD1 3.89Å; I205-L217 HydrophobicContact CD1-CD2 3.1Å; I205-L217 HydrophobicContact CD1-CG 4.09Å; I205-W236 HydrophobicContact CD1-CE3 4.39Å; I205-W236 HydrophobicContact CD1-CH2 4.25Å; I205-W236 HydrophobicContact CD1-CZ3 3.55Å; I205-V246 HydrophobicContact CB-CG2 4.1Å; I205-V246 HydrophobicContact CG2-CG2 4.04Å
206S91.4Very high90.8Very high73 Ų7354.8 Ų54.851%0.5132%0.32SS..EExtended strand (participates in β ladder)trans-135.7131.6176.3-178.80000109.6R172R172-S206 PolarHBondContact N-O 3.17Å; R172-S206 PolarHBondContact O-N 2.98Å
207Y91.9Very high90.9Very high8 Ų854.9 Ų54.93%0.03132%0.32CS..  trans-149155174.856.6-90.4000109.6V169 L171 I205 A209 W215 I241 G243 V246 L273V169-Y207 HydrophobicContact CG1-CD2 4.47Å; L171-Y207 HydrophobicContact CD1-CD1 4.09Å; I205-Y207 HydrophobicContact CG2-CD1 3.81Å; I205-Y207 HydrophobicContact CG2-CE1 4.09Å; Y207-A209 HydrophobicContact CD2-CB 3.77Å; Y207-A209 HydrophobicContact CE2-CB 3.56Å; Y207-W215 HydrophobicContact CE2-CB 4.48Å; Y207-W215 AromaticContact CE2-CD1 3.81Å; Y207-W215 AromaticContact CE2-CD2 3.94Å; Y207-W215 HydrophobicContact CE2-CD2 3.94Å; Y207-W215 AromaticContact CE2-CG 3.83Å; Y207-W215 HydrophobicContact CE2-CG 3.83Å; Y207-W215 AromaticContact CE2-NE1 3.94Å; Y207-I241 VanDerWaalsContact OH-CG2 3.24Å; Y207-I241 WeakPolarHBondContact OH-CG2 3.07Å; Y207-G243 WeakPolarHBondContact CE2-O 3.36Å; Y207-G243 VanDerWaalsContact CZ-O 3.29Å; Y207-G243 PolarHBondContact OH-O 3.08Å; Y207-V246 HydrophobicContact CE1-CG2 4.05Å; Y207-L273 HydrophobicContact CD1-CD1 4.41Å; Y207-L273 HydrophobicContact CD1-CD2 4.04Å; Y207-L273 HydrophobicContact CD2-CD2 3.87Å; Y207-L273 HydrophobicContact CE1-CD1 4.09Å; Y207-L273 HydrophobicContact CE1-CD2 4.41Å; Y207-L273 HydrophobicContact CE2-CD2 4.26Å; Y207-L273 HydrophobicContact CG-CD2 3.77Å
208K88.4Confident91Very high192 Ų19251.4 Ų51.484%0.83530%0.299SS*.  trans-82.9118.5176.6-65.6-178.3-179.7177.80109.3
209A87.1Confident91.1Very high34 Ų3449.7 Ų49.728%0.28129%0.291SS..  trans-136.1153.6179.300000112.7Y207 W215Y207-A209 HydrophobicContact CD2-CB 3.77Å; Y207-A209 HydrophobicContact CE2-CB 3.56Å; A209-W215 HydrophobicContact CB-CZ2 3.89Å
210D86.9Confident91.2Very high108 Ų10849.7 Ų49.758%0.57829%0.291SS*.  trans-75.7138172.5-53.6-46.2000109.5N212 S213 K275D210-N212 PolarHBondContact O-N 3.25Å; D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.86Å; D210-K275 IonicContact OD2-NZ 3.19Å
211G81.9Confident91.4Very high68 Ų6846.6 Ų46.670%0.70127%0.27SS*.THydrogen-bonded Turntrans-60.6-18.9-175.300000115.8
212N85.1Confident91.4Very high163 Ų16345.9 Ų45.987%0.87226%0.262SS*.THydrogen-bonded Turntrans-100.512178.5-71-5.6000113.6D210D210-N212 PolarHBondContact O-N 3.25Å
213S91.6Very high91.4Very high11 Ų1145.7 Ų45.78%0.07726%0.257CS..  trans-102148.5-179620000111.8D210 W215 G243D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 3.25Å; D210-S213 PolarHBondContact O-OG 2.86Å; S213-W215 PolarHBondContact OG-NE1 3.15Å; S213-G243 PolarHBondContact O-N 3.5Å
214Y93.1Very high90.8Very high79 Ų7945.9 Ų45.931%0.3126%0.26SS..EExtended strand (participates in β ladder)trans-109.9145.2174.2-62-84.6000110.2I241 P242 Q276 R279Y214-I241 CarbonylContact C-O 3.59Å; Y214-I241 VanDerWaalsContact CA-O 3.28Å; Y214-I241 WeakPolarHBondContact CA-O 3.35Å; Y214-P242 HydrophobicContact CD1-CB 4.49Å; Y214-P242 HydrophobicContact CE1-CB 4.39Å; Y214-Q276 WeakPolarHBondContact O-CB 3.25Å; Y214-Q276 PolarHBondContact O-N 2.85Å; Y214-R279 HydrophobicContact CD1-CB 4.34Å; Y214-R279 HydrophobicContact CD2-CB 4.26Å; Y214-R279 HydrophobicContact CE1-CB 4.1Å; Y214-R279 HydrophobicContact CE1-CG 4.33Å; Y214-R279 HydrophobicContact CE2-CB 4.03Å; Y214-R279 HydrophobicContact CG-CB 4.41Å
215W94.4Very high90.4Very high4 Ų441.8 Ų41.82%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-129.5157.4-176.4-5883.9000111.9V169 Y207 A209 S213 N240 I241 L273 F274 K275 A315V169-W215 HydrophobicContact CG2-CH2 3.86Å; V169-W215 HydrophobicContact CG2-CZ3 4.16Å; Y207-W215 HydrophobicContact CE2-CB 4.48Å; Y207-W215 AromaticContact CE2-CD1 3.81Å; Y207-W215 AromaticContact CE2-CD2 3.94Å; Y207-W215 HydrophobicContact CE2-CD2 3.94Å; Y207-W215 AromaticContact CE2-CG 3.83Å; Y207-W215 HydrophobicContact CE2-CG 3.83Å; Y207-W215 AromaticContact CE2-NE1 3.94Å; A209-W215 HydrophobicContact CB-CZ2 3.89Å; S213-W215 PolarHBondContact OG-NE1 3.15Å; W215-N240 PolarHBondContact O-N 3.4Å; W215-I241 HydrophobicContact CB-CB 4.2Å; W215-I241 PolarHBondContact N-O 3.2Å; W215-I241 PolarHBondContact O-N 3.31Å; W215-L273 HydrophobicContact CB-CD1 4.11Å; W215-L273 HydrophobicContact CD2-CD2 4.48Å; W215-L273 HydrophobicContact CE3-CD1 4.2Å; W215-L273 HydrophobicContact CE3-CD2 3.74Å; W215-L273 HydrophobicContact CE3-CG 3.74Å; W215-L273 HydrophobicContact CZ3-CD2 3.96Å; W215-L273 HydrophobicContact CZ3-CG 4.27Å; W215-F274 CarbonylContact C-O 3.54Å; W215-F274 WeakPolarHBondContact CA-O 3.38Å; W215-K275 HydrophobicContact CD2-CG 4.44Å; W215-K275 HydrophobicContact CE3-CB 3.83Å; W215-K275 HydrophobicContact CE3-CG 4.2Å; W215-K275 HydrophobicContact CH2-CB 3.86Å; W215-K275 HydrophobicContact CH2-CD 3.7Å; W215-K275 HydrophobicContact CH2-CG 3.74Å; W215-K275 HydrophobicContact CZ2-CD 4Å; W215-K275 HydrophobicContact CZ2-CG 3.97Å; W215-K275 HydrophobicContact CZ3-CB 3.48Å; W215-K275 VanDerWaalsContact CZ3-CB 3.48Å; W215-K275 HydrophobicContact CZ3-CD 4.25Å; W215-K275 HydrophobicContact CZ3-CG 3.86Å; W215-A315 HydrophobicContact CH2-CB 4.41Å; W215-A315 HydrophobicContact CZ3-CB 3.65Å
216T93.8Very high89.9Confident0 Ų044.2 Ų44.20%025%0.252CS..EExtended strand (participates in β ladder)trans-127.8127.6171.1-62.70000108.7V218 L237 I238 F274 Q276T216-V218 HydrophobicContact CG2-CG2 3.99Å; T216-L237 HydrophobicContact CG2-CD1 4.06Å; T216-I238 CarbonylContact C-O 3.34Å; T216-I238 VanDerWaalsContact CA-O 3.31Å; T216-I238 WeakPolarHBondContact CA-O 3.41Å; T216-I238 WeakPolarHBondContact CG2-O 3.46Å; T216-F274 PolarHBondContact N-O 3.18Å; T216-F274 PolarHBondContact O-N 2.72Å; T216-Q276 PolarHBondContact OG1-NE2 3.2Å
217L94.4Very high89.5Confident2 Ų245.8 Ų45.81%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-108.9129.4176.4178.678.8000108.9L171 I205 W236 I238 I241 L271 L273L171-L217 HydrophobicContact CD2-CD1 4.44Å; I205-L217 HydrophobicContact CD1-CD1 3.89Å; I205-L217 HydrophobicContact CD1-CD2 3.1Å; I205-L217 HydrophobicContact CD1-CG 4.09Å; L217-W236 HydrophobicContact CD2-CD2 4.45Å; L217-W236 HydrophobicContact CD2-CE3 3.76Å; L217-W236 HydrophobicContact CD2-CH2 4.29Å; L217-W236 HydrophobicContact CD2-CZ3 3.66Å; L217-I238 HydrophobicContact CD2-CD1 4.34Å; L217-I238 PolarHBondContact N-O 2.92Å; L217-I238 PolarHBondContact O-N 3.4Å; L217-I241 HydrophobicContact CB-CD1 3.96Å; L217-L271 HydrophobicContact CD1-CD2 4.34Å; L217-L273 HydrophobicContact CB-CD1 4.47Å; L217-L273 HydrophobicContact CD1-CD1 4.32Å
218V94.1Very high89Confident0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-126.7129.8178.2-164.90000109.6T216 V220 L234 L237 L271 V272 F274 F299 L301T216-V218 HydrophobicContact CG2-CG2 3.99Å; V218-V220 HydrophobicContact CG1-CG1 3.9Å; V218-L234 HydrophobicContact CG1-CD1 3.71Å; V218-L237 HydrophobicContact CB-CD1 4.25Å; V218-L237 HydrophobicContact CG1-CD1 4.14Å; V218-L237 HydrophobicContact CG2-CD1 3.56Å; V218-L271 CarbonylContact O-C 3.56Å; V218-L271 WeakPolarHBondContact O-CA 3.47Å; V218-V272 PolarHBondContact N-O 3.3Å; V218-V272 PolarHBondContact O-N 2.93Å; V218-F274 HydrophobicContact CB-CE2 4.36Å; V218-F274 HydrophobicContact CG2-CD2 3.92Å; V218-F274 HydrophobicContact CG2-CE2 3.65Å; V218-F299 HydrophobicContact CG1-CE1 4.33Å; V218-L301 HydrophobicContact CB-CD1 4.42Å; V218-L301 HydrophobicContact CG1-CD1 4.09Å; V218-L301 HydrophobicContact CG2-CD1 4.38Å
219M94.5Very high88.6Confident0 Ų045.6 Ų45.60%026%0.259CS..EExtended strand (participates in β ladder)trans-114.2118.7172.2-169.1178.4168.300109.9H235 W236 Y255 P258 F269 V270 L271 F320M219-H235 HydrophobicContact CB-CB 4.22Å; M219-H235 HydrophobicContact CE-CB 4.34Å; M219-H235 HydrophobicContact CG-CB 3.96Å; M219-H235 PolarHBondContact O-N 3.44Å; M219-H235 HydrophobicContact SD-CB 4.04Å; M219-W236 HydrophobicContact CB-CB 3.72Å; M219-W236 PolarHBondContact N-O 3.41Å; M219-W236 PolarHBondContact O-N 2.97Å; M219-W236 HydrophobicContact SD-CB 4.48Å; M219-Y255 HydrophobicContact CE-CE2 4.36Å; M219-Y255 HydrophobicContact SD-CD2 4.38Å; M219-Y255 HydrophobicContact SD-CE2 3.79Å; M219-P258 HydrophobicContact CE-CG 4.29Å; M219-F269 HydrophobicContact CE-CB 4.13Å; M219-F269 HydrophobicContact CE-CD1 3.89Å; M219-F269 HydrophobicContact CE-CG 4.33Å; M219-V270 WeakPolarHBondContact CA-O 3.45Å; M219-L271 HydrophobicContact CB-CD2 3.53Å; M219-L271 HydrophobicContact CG-CD2 3.57Å; M219-L271 HydrophobicContact CG-CG 4.21Å; M219-L271 HydrophobicContact SD-CD2 4Å; M219-F320 HydrophobicContact CE-CE1 3.92Å; M219-F320 HydrophobicContact CE-CZ 3.57Å
220V93.9Very high88.3Confident0 Ų047.5 Ų47.50%028%0.283CS..EExtended strand (participates in β ladder)trans-130.5149.8-175.4-73.40000112.2L158 V218 E232 V233 L234 V270 F299L158-V220 HydrophobicContact CD1-CG2 4.44Å; L158-V220 HydrophobicContact CD2-CG2 3.86Å; V218-V220 HydrophobicContact CG1-CG1 3.9Å; V220-E232 HydrophobicContact CB-CB 4.27Å; V220-E232 WeakPolarHBondContact CB-OE2 3.25Å; V220-E232 VanDerWaalsContact CG1-OE2 3.29Å; V220-E232 WeakPolarHBondContact CG1-OE2 3.16Å; V220-E232 WeakPolarHBondContact CG2-OE2 3.46Å; V220-V233 WeakPolarHBondContact CA-O 3.44Å; V220-L234 HydrophobicContact CG1-CD1 3.95Å; V220-V270 HydrophobicContact CG2-CB 4.2Å; V220-V270 PolarHBondContact N-O 3.27Å; V220-V270 PolarHBondContact O-N 3.37Å; V220-F299 HydrophobicContact CG1-CD1 3.97Å; V220-F299 HydrophobicContact CG1-CE1 4.34Å
221N93.5Very high88.2Confident2 Ų244.4 Ų44.41%0.01127%0.266CS..EExtended strand (participates in β ladder)trans-117.9100.8173.4177.41.4000109D223 G224 E232 V233 R268 F269N221-D223 VanDerWaalsContact C-N 3.26Å; N221-D223 PolarHBondContact O-N 3.01Å; N221-D223 PolarHBondContact OD1-N 2.92Å; N221-D223 VanDerWaalsContact OD1-N 3.1Å; N221-G224 WeakPolarHBondContact ND2-CA 3.07Å; N221-G224 PolarHBondContact OD1-N 3.45Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; N221-E232 WeakPolarHBondContact O-CA 3.29Å; N221-V233 HydrophobicContact CB-CB 4.36Å; N221-V233 PolarHBondContact N-O 2.77Å; N221-V233 PolarHBondContact O-N 2.72Å; N221-R268 PolarHBondContact OD1-O 3.14Å; N221-F269 HydrophobicContact CB-CD1 3.92Å; N221-F269 HydrophobicContact CB-CE1 3.67Å; N221-F269 HydrophobicContact CB-CZ 4.24Å; N221-F269 WeakPolarHBondContact ND2-CE1 3.25Å; N221-F269 VanDerWaalsContact ND2-CZ 3.29Å; N221-F269 WeakPolarHBondContact ND2-CZ 3.29Å
222P92Very high88.6Confident24 Ų2441.4 Ų41.416%0.15623%0.234CC..THydrogen-bonded Turntrans-67.6-22.9178.426.1-35.7000114D157 E232 R268D157-P222 HydrophobicContact CB-CB 4.37Å; P222-E232 HydrophobicContact CB-CG 4.21Å; P222-R268 WeakPolarHBondContact CD-O 3.14Å; P222-R268 HydrophobicContact CG-CB 4.39Å
223D90.8Very high88.9Confident62 Ų6234.1 Ų34.133%0.33220%0.195SC..THydrogen-bonded Turntrans-95.2-10.8-172.3-55.9-43.5000113N221 H267 R268N221-D223 VanDerWaalsContact C-N 3.26Å; N221-D223 PolarHBondContact O-N 3.01Å; N221-D223 PolarHBondContact OD1-N 2.92Å; N221-D223 VanDerWaalsContact OD1-N 3.1Å; D223-H267 HydrophobicContact CB-CB 4.27Å; D223-H267 PolarHBondContact O-CE1 3.14Å; D223-H267 PolarHBondContact O-ND1 3.32Å; D223-R268 IonicContact OD1-CZ 2.92Å; D223-R268 IonicContact OD1-NE 3.77Å; D223-R268 PolarHBondContact OD1-NE 2.76Å; D223-R268 IonicContact OD1-NH2 2.97Å; D223-R268 PolarHBondContact OD1-NH2 3.35Å; D223-R268 WeakPolarHBondContact OD2-CB 3.32Å; D223-R268 WeakPolarHBondContact OD2-CG 3.48Å; D223-R268 IonicContact OD2-CZ 3.87Å; D223-R268 PolarHBondContact OD2-N 3.06Å; D223-R268 IonicContact OD2-NE 2.76Å; D223-R268 PolarHBondContact OD2-NE 2.67Å; D223-R268 IonicContact OD2-NH2 2.9Å
224G82.3Confident88.9Confident10 Ų1033.7 Ų33.710%0.10319%0.192CC..  trans-90.3-4.8-165.100000117.2N221N221-G224 WeakPolarHBondContact ND2-CA 3.07Å; N221-G224 PolarHBondContact OD1-N 3.45Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å
225N84.1Confident88.8Confident25 Ų2530 Ų3013%0.13418%0.178CC..  trans-83.8125.1-169.5-163.3-12.7000112.5Y227 A228 N231 V233 T298N225-Y227 PolarHBondContact OD1-N 3.44Å; N225-A228 PolarHBondContact ND2-O 3.47Å; N225-A228 PolarHBondContact OD1-N 3.1Å; N225-N231 WeakPolarHBondContact CB-O 3.2Å; N225-N231 VanDerWaalsContact ND2-CB 3.29Å; N225-N231 WeakPolarHBondContact ND2-CB 3.42Å; N225-N231 PolarHBondContact ND2-O 2.92Å; N225-V233 HydrophobicContact CB-CG2 3.97Å; N225-T298 WeakPolarHBondContact ND2-CG2 3.34Å
226I83.6Confident88.7Confident64 Ų6431 Ų3133%0.32818%0.182SC..SBendtrans-96-15.5178.159.6-179.4000113.8L261 F343I226-L261 HydrophobicContact CG2-CD1 3.2Å; I226-F343 HydrophobicContact CG2-CZ 4.47Å
227Y82.3Confident88.6Confident105 Ų10531 Ų3141%0.41218%0.182SC..SBendtrans-102-32.2-169-59-70.7000113.2N225 L294 D295N225-Y227 PolarHBondContact OD1-N 3.44Å; Y227-L294 HydrophobicContact CE2-CB 3.82Å; Y227-D295 WeakPolarHBondContact CD1-OD1 3.29Å; Y227-D295 WeakPolarHBondContact CD2-OD1 3.48Å; Y227-D295 WeakPolarHBondContact CE1-OD1 3.47Å; Y227-D295 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-D295 PolarHBondContact OH-OD1 2.98Å
228A81.2Confident88.5Confident27 Ų2731.1 Ų31.122%0.22318%0.182CC..SBendtrans-141.8121.5-176.900000111.3N225 G230 N231N225-A228 PolarHBondContact ND2-O 3.47Å; N225-A228 PolarHBondContact OD1-N 3.1Å; A228-G230 PolarHBondContact O-N 3.13Å; A228-N231 HydrophobicContact CB-CB 4.16Å; A228-N231 WeakPolarHBondContact CB-ND2 3.49Å; A228-N231 PolarHBondContact O-N 2.89Å
229D80.7Confident88.3Confident169 Ų16931.1 Ų31.190%0.90418%0.182SC*.THydrogen-bonded Turntrans-62.6128.3174.3-63-23.5000110.2
230G79.5Confident88.1Confident75 Ų7531.4 Ų31.477%0.77318%0.184SC*.THydrogen-bonded Turntrans82.72.3176.700000115.9A228A228-G230 PolarHBondContact O-N 3.13Å
231N84.7Confident88.1Confident42 Ų4231.4 Ų31.423%0.22518%0.184CC..PPolyproline II helixtrans-98.7151.2168.5-71.7-33.4000110.4N225 A228 T298N225-N231 WeakPolarHBondContact CB-O 3.2Å; N225-N231 VanDerWaalsContact ND2-CB 3.29Å; N225-N231 WeakPolarHBondContact ND2-CB 3.42Å; N225-N231 PolarHBondContact ND2-O 2.92Å; A228-N231 HydrophobicContact CB-CB 4.16Å; A228-N231 WeakPolarHBondContact CB-ND2 3.49Å; A228-N231 PolarHBondContact O-N 2.89Å; N231-T298 HydrophobicContact CB-CG2 3.7Å
232E91Very high88Confident5 Ų533.8 Ų33.82%0.02320%0.199CC..EExtended strand (participates in β ladder)trans-92.3165.4179.7-57150.1-139.300111.1L158 V220 N221 P222 F299 L301L158-E232 HydrophobicContact CD2-CG 4.01Å; L158-E232 VanDerWaalsContact CD2-OE1 3.28Å; L158-E232 WeakPolarHBondContact CD2-OE1 3.35Å; L158-E232 WeakPolarHBondContact CD2-OE2 3.47Å; V220-E232 HydrophobicContact CB-CB 4.27Å; V220-E232 WeakPolarHBondContact CB-OE2 3.25Å; V220-E232 VanDerWaalsContact CG1-OE2 3.29Å; V220-E232 WeakPolarHBondContact CG1-OE2 3.16Å; V220-E232 WeakPolarHBondContact CG2-OE2 3.46Å; N221-E232 WeakPolarHBondContact O-CA 3.29Å; P222-E232 HydrophobicContact CB-CG 4.21Å; E232-F299 WeakPolarHBondContact CA-O 3.39Å; E232-F299 PolarHBondContact N-O 2.66Å; E232-F299 PolarHBondContact O-N 2.76Å; E232-F299 VanDerWaalsContact O-O 3.1Å; E232-L301 PolarHBondContact OE1-N 2.91Å; E232-L301 VanDerWaalsContact OE2-CB 3.32Å; E232-L301 WeakPolarHBondContact OE2-CB 3.32Å
233V90.7Very high87.9Confident11 Ų1132.8 Ų32.87%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-103.8125.5168-178.90000109.3V220 N221 N225 H235 R297V220-V233 WeakPolarHBondContact CA-O 3.44Å; N221-V233 HydrophobicContact CB-CB 4.36Å; N221-V233 PolarHBondContact N-O 2.77Å; N221-V233 PolarHBondContact O-N 2.72Å; N225-V233 HydrophobicContact CB-CG2 3.97Å; V233-H235 PolarHBondContact O-CD2 2.93Å; V233-R297 HydrophobicContact CG1-CB 3.99Å
234L91.8Very high87.7Confident2 Ų235 Ų351%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-81.6116.3177.7-17466.9000111V218 V220 L237 C253 V285 R297 F299V218-L234 HydrophobicContact CG1-CD1 3.71Å; V220-L234 HydrophobicContact CG1-CD1 3.95Å; L234-L237 HydrophobicContact CD1-CB 4.22Å; L234-L237 HydrophobicContact CD2-CB 4.04Å; L234-L237 HydrophobicContact CD2-CD2 4.22Å; L234-L237 HydrophobicContact CG-CB 4.47Å; L234-C253 HydrophobicContact CD2-CB 3.75Å; L234-C253 HydrophobicContact CG-CB 4.34Å; L234-V285 HydrophobicContact CD2-CG1 3.71Å; L234-R297 PolarHBondContact N-O 3Å; L234-R297 WeakPolarHBondContact O-CD 3.43Å; L234-R297 PolarHBondContact O-NH1 3.46Å; L234-F299 HydrophobicContact CB-CB 3.78Å; L234-F299 HydrophobicContact CB-CG 4.21Å; L234-F299 HydrophobicContact CD1-CD1 4.17Å; L234-F299 HydrophobicContact CD1-CE1 4.4Å; L234-F299 HydrophobicContact CD1-CG 4.41Å; L234-F299 HydrophobicContact CD2-CD2 4.41Å; L234-F299 HydrophobicContact CD2-CG 4.48Å
235H91.8Very high88Confident2 Ų238.2 Ų38.21%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-93.3-36.9178.2-82.4-92.8000112.5M219 V233 Y255 L256 Q257 F269 R297M219-H235 HydrophobicContact CB-CB 4.22Å; M219-H235 HydrophobicContact CE-CB 4.34Å; M219-H235 HydrophobicContact CG-CB 3.96Å; M219-H235 PolarHBondContact O-N 3.44Å; M219-H235 HydrophobicContact SD-CB 4.04Å; V233-H235 PolarHBondContact O-CD2 2.93Å; H235-Y255 CarbonylContact O-C 3.51Å; H235-Y255 WeakPolarHBondContact O-CA 3.28Å; H235-L256 PolarHBondContact ND1-O 2.58Å; H235-L256 PolarHBondContact O-N 3Å; H235-Q257 PolarHBondContact CE1-O 3.12Å; H235-Q257 VanDerWaalsContact CE1-O 3.23Å; H235-Q257 PolarHBondContact ND1-O 3.3Å; H235-F269 AromaticContact CD2-CE1 3.81Å; H235-F269 AromaticContact CE1-CE1 3.72Å; H235-F269 AromaticContact NE2-CE1 3.47Å; H235-F269 WeakPolarHBondContact NE2-CE1 3.28Å; H235-R297 PolarHBondContact O-NH1 2.84Å
236W92.3Very high88.3Confident25 Ų2538 Ų3810%0.09522%0.22CC..EExtended strand (participates in β ladder)trans-156.3136.5-177.4-161.324.3000110.7P202 P203 I205 L217 M219 I238 V246 C253 Y255P202-W236 HydrophobicContact CB-CH2 4.1Å; P202-W236 HydrophobicContact CB-CZ2 4.16Å; P203-W236 HydrophobicContact CG-CE3 4.41Å; P203-W236 HydrophobicContact CG-CZ3 3.88Å; I205-W236 HydrophobicContact CD1-CE3 4.39Å; I205-W236 HydrophobicContact CD1-CH2 4.25Å; I205-W236 HydrophobicContact CD1-CZ3 3.55Å; L217-W236 HydrophobicContact CD2-CD2 4.45Å; L217-W236 HydrophobicContact CD2-CE3 3.76Å; L217-W236 HydrophobicContact CD2-CH2 4.29Å; L217-W236 HydrophobicContact CD2-CZ3 3.66Å; M219-W236 HydrophobicContact CB-CB 3.72Å; M219-W236 PolarHBondContact N-O 3.41Å; M219-W236 PolarHBondContact O-N 2.97Å; M219-W236 HydrophobicContact SD-CB 4.48Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.37Å; W236-I238 HydrophobicContact CH2-CD1 3.78Å; W236-I238 HydrophobicContact CZ2-CD1 3.12Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.45Å; W236-V246 HydrophobicContact CH2-CG1 4.3Å; W236-C253 VanDerWaalsContact CD1-O 3.3Å; W236-Y255 HydrophobicContact CB-CD2 4.07Å; W236-Y255 HydrophobicContact CD2-CD2 4.05Å; W236-Y255 HydrophobicContact CE3-CD2 4.2Å; W236-Y255 HydrophobicContact CG-CD2 4.02Å
237L92.1Very high88.5Confident0 Ų040 Ų400%024%0.239CC..EExtended strand (participates in β ladder)trans-140.8117.5175.3-18061.7000110T216 V218 L234 L252 C253 V285T216-L237 HydrophobicContact CG2-CD1 4.06Å; V218-L237 HydrophobicContact CB-CD1 4.25Å; V218-L237 HydrophobicContact CG1-CD1 4.14Å; V218-L237 HydrophobicContact CG2-CD1 3.56Å; L234-L237 HydrophobicContact CD1-CB 4.22Å; L234-L237 HydrophobicContact CD2-CB 4.04Å; L234-L237 HydrophobicContact CD2-CD2 4.22Å; L234-L237 HydrophobicContact CG-CB 4.47Å; L237-L252 HydrophobicContact CB-CB 4.46Å; L237-L252 HydrophobicContact CD2-CB 3.94Å; L237-L252 HydrophobicContact CD2-CD1 3.9Å; L237-L252 HydrophobicContact CG-CB 4.07Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; L237-L252 PolarHBondContact O-N 3.44Å; L237-C253 HydrophobicContact CB-CB 3.82Å; L237-C253 PolarHBondContact N-O 3.45Å; L237-C253 PolarHBondContact O-N 2.8Å; L237-V285 HydrophobicContact CD2-CB 3.84Å; L237-V285 HydrophobicContact CD2-CG1 3.72Å; L237-V285 HydrophobicContact CD2-CG2 3.76Å
238I92Very high88.8Confident3 Ų337.6 Ų37.62%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-124.2128.7174.3-50.5171.7000108.4T216 L217 W236 I241 V246 V251T216-I238 CarbonylContact C-O 3.34Å; T216-I238 VanDerWaalsContact CA-O 3.31Å; T216-I238 WeakPolarHBondContact CA-O 3.41Å; T216-I238 WeakPolarHBondContact CG2-O 3.46Å; L217-I238 HydrophobicContact CD2-CD1 4.34Å; L217-I238 PolarHBondContact N-O 2.92Å; L217-I238 PolarHBondContact O-N 3.4Å; W236-I238 HydrophobicContact CD2-CD1 4.05Å; W236-I238 HydrophobicContact CD2-CG1 4.37Å; W236-I238 HydrophobicContact CH2-CD1 3.78Å; W236-I238 HydrophobicContact CZ2-CD1 3.12Å; W236-I238 HydrophobicContact CZ2-CG1 4.15Å; W236-I238 HydrophobicContact CZ3-CD1 4.45Å; I238-I241 HydrophobicContact CB-CD1 4.1Å; I238-I241 HydrophobicContact CB-CG1 4.34Å; I238-I241 HydrophobicContact CG2-CD1 3.91Å; I238-I241 HydrophobicContact CG2-CG1 3.62Å; I238-V246 HydrophobicContact CD1-CG1 3.6Å; I238-V251 HydrophobicContact CG1-CG2 4.26Å; I238-V251 HydrophobicContact CG2-CG2 4.47Å
239C90.3Very high89.2Confident1 Ų136.8 Ų36.81%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-114162.5179.7-69.80000111.3I241 D250 L252 F282C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.67Å; C239-D250 PolarHBondContact N-O 2.85Å; C239-D250 PolarHBondContact O-N 2.96Å; C239-L252 HydrophobicContact CB-CD1 4.12Å; C239-L252 HydrophobicContact CB-CG 4.45Å; C239-L252 WeakPolarHBondContact SG-CD1 3.48Å; C239-F282 HydrophobicContact CB-CD2 3.53Å; C239-F282 HydrophobicContact CB-CE2 3.63Å; C239-F282 WeakPolarHBondContact SG-CD2 3.49Å
240N90.7Very high89.6Confident6 Ų631.6 Ų31.63%0.03220%0.204CC..EExtended strand (participates in β ladder)trans56.134.7173.1-54.9-34.6000114.7W215 P242 D250 Q276 R279 R280W215-N240 PolarHBondContact O-N 3.4Å; N240-P242 VanDerWaalsContact O-CD 3.23Å; N240-P242 WeakPolarHBondContact O-CD 3.21Å; N240-D250 PolarHBondContact ND2-OD2 3.28Å; N240-Q276 PolarHBondContact OD1-NE2 3.43Å; N240-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N240-Q276 PolarHBondContact OD1-OE1 2.81Å; N240-Q276 VanDerWaalsContact OD1-OE1 3.04Å; N240-R279 HydrophobicContact CB-CG 4.12Å; N240-R280 PolarHBondContact ND2-O 2.84Å; N240-R280 PolarHBondContact OD1-N 3.21Å; N240-R280 PolarHBondContact OD1-O 2.93Å
241I92.4Very high90.1Very high0 Ų031.1 Ų31.10%019%0.186CC..EExtended strand (participates in β ladder)trans-67.5115.8176.7-58.3165.5000108.5Y207 Y214 W215 L217 I238 C239 G243 D245 V246Y207-I241 VanDerWaalsContact OH-CG2 3.24Å; Y207-I241 WeakPolarHBondContact OH-CG2 3.07Å; Y214-I241 CarbonylContact C-O 3.59Å; Y214-I241 VanDerWaalsContact CA-O 3.28Å; Y214-I241 WeakPolarHBondContact CA-O 3.35Å; W215-I241 HydrophobicContact CB-CB 4.2Å; W215-I241 PolarHBondContact N-O 3.2Å; W215-I241 PolarHBondContact O-N 3.31Å; L217-I241 HydrophobicContact CB-CD1 3.96Å; I238-I241 HydrophobicContact CB-CD1 4.1Å; I238-I241 HydrophobicContact CB-CG1 4.34Å; I238-I241 HydrophobicContact CG2-CD1 3.91Å; I238-I241 HydrophobicContact CG2-CG1 3.62Å; C239-I241 VanDerWaalsContact C-N 3.27Å; C239-I241 PolarHBondContact O-N 2.67Å; I241-G243 PolarHBondContact O-N 3.3Å; I241-D245 WeakPolarHBondContact CG2-O 3.45Å; I241-V246 HydrophobicContact CD1-CG1 4.25Å
242P91.7Very high90.1Very high51 Ų5131.1 Ų31.133%0.33119%0.186SC..EExtended strand (participates in β ladder)trans-77.8120176.832.5-32.3000110.3Y214 N240 D244 S248Y214-P242 HydrophobicContact CD1-CB 4.49Å; Y214-P242 HydrophobicContact CE1-CB 4.39Å; N240-P242 VanDerWaalsContact O-CD 3.23Å; N240-P242 WeakPolarHBondContact O-CD 3.21Å; P242-D244 PolarHBondContact O-N 3.1Å; P242-S248 WeakPolarHBondContact CD-OG 3.45Å; P242-S248 WeakPolarHBondContact CG-OG 3.49Å
243G89.2Confident90Very high4 Ų430.9 Ų30.94%0.04119%0.185CC..THydrogen-bonded Turntrans62.7-126.3-179.500000112.3Y207 S213 I241Y207-G243 WeakPolarHBondContact CE2-O 3.36Å; Y207-G243 VanDerWaalsContact CZ-O 3.29Å; Y207-G243 PolarHBondContact OH-O 3.08Å; S213-G243 PolarHBondContact O-N 3.5Å; I241-G243 PolarHBondContact O-N 3.3Å
244D88.4Confident89.9Confident108 Ų10833.9 Ų33.958%0.57820%0.2SC*.THydrogen-bonded Turntrans-104.5-7.2-176.659.4-17.4000114.1P242 V246P242-D244 PolarHBondContact O-N 3.1Å; D244-V246 PolarHBondContact O-N 3.41Å; D244-V246 VanDerWaalsContact O-N 3.08Å
245D88.7Confident89.9Confident77 Ų7735.7 Ų35.741%0.41221%0.207SC..  trans-84.585.9-177.5-177.114.9000112.3I241 S247 S248I241-D245 WeakPolarHBondContact CG2-O 3.45Å; D245-S247 PolarHBondContact O-N 3.42Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.93Å; D245-S247 VanDerWaalsContact OD1-N 3.16Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.31Å; D245-S248 PolarHBondContact O-N 3.21Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.48Å; D245-S248 WeakPolarHBondContact OD2-CB 3.14Å; D245-S248 PolarHBondContact OD2-OG 2.8Å
246V89.3Confident89.8Confident22 Ų2236 Ų3613%0.13321%0.209CC..G310 helixtrans-55.1-28.9178.3-176.50000112.9I205 Y207 W236 I238 I241 D244 S248 G249I205-V246 HydrophobicContact CB-CG2 4.1Å; I205-V246 HydrophobicContact CG2-CG2 4.04Å; Y207-V246 HydrophobicContact CE1-CG2 4.05Å; W236-V246 HydrophobicContact CH2-CG1 4.3Å; I238-V246 HydrophobicContact CD1-CG1 3.6Å; I241-V246 HydrophobicContact CD1-CG1 4.25Å; D244-V246 PolarHBondContact O-N 3.41Å; D244-V246 VanDerWaalsContact O-N 3.08Å; V246-S248 VanDerWaalsContact C-N 3.28Å; V246-S248 PolarHBondContact O-N 3.24Å; V246-G249 PolarHBondContact O-N 3.28Å
247S88Confident89.8Confident104 Ų10435.1 Ų35.173%0.72721%0.206SC*.G310 helixtrans-70.7-24.3-177.275.30000113.5D245D245-S247 PolarHBondContact O-N 3.42Å; D245-S247 VanDerWaalsContact O-N 3.12Å; D245-S247 WeakPolarHBondContact OD1-CB 3.44Å; D245-S247 PolarHBondContact OD1-N 2.93Å; D245-S247 VanDerWaalsContact OD1-N 3.16Å; D245-S247 PolarHBondContact OD1-OG 2.9Å; D245-S247 PolarHBondContact OD2-OG 3.31Å
248S89.3Confident89.8Confident55 Ų5535.1 Ų35.139%0.38521%0.206SC..G310 helixtrans-88.5-1-179.668.50000114.1P242 D245 V246P242-S248 WeakPolarHBondContact CD-OG 3.45Å; P242-S248 WeakPolarHBondContact CG-OG 3.49Å; D245-S248 PolarHBondContact O-N 3.21Å; D245-S248 VanDerWaalsContact O-N 3.14Å; D245-S248 PolarHBondContact O-OG 3.48Å; D245-S248 WeakPolarHBondContact OD2-CB 3.14Å; D245-S248 PolarHBondContact OD2-OG 2.8Å; V246-S248 VanDerWaalsContact C-N 3.28Å; V246-S248 PolarHBondContact O-N 3.24Å
249G88.3Confident89.6Confident10 Ų1035.4 Ų35.410%0.10321%0.208CC..SBendtrans-74.6158177.800000114V246 V251V246-G249 PolarHBondContact O-N 3.28Å; G249-V251 PolarHBondContact O-N 3.2Å
250D89.6Confident89.7Confident60 Ų6035.4 Ų35.432%0.32121%0.207SC..EExtended strand (participates in β ladder)trans-78.9104.8175.4-62.4-36.8000109.1C239 N240 L252 R279C239-D250 PolarHBondContact N-O 2.85Å; C239-D250 PolarHBondContact O-N 2.96Å; N240-D250 PolarHBondContact ND2-OD2 3.28Å; D250-L252 PolarHBondContact O-N 3.36Å; D250-R279 IonicContact OD1-NH2 3.4Å; D250-R279 IonicContact OD2-NH2 3.11Å; D250-R279 PolarHBondContact OD2-NH2 3.35Å
251V89.1Confident89.7Confident65 Ų6535.5 Ų35.539%0.39421%0.208SC..EExtended strand (participates in β ladder)trans-76.3114178.5-174.30000110I238 G249I238-V251 HydrophobicContact CG1-CG2 4.26Å; I238-V251 HydrophobicContact CG2-CG2 4.47Å; G249-V251 PolarHBondContact O-N 3.2Å
252L86.2Confident89.7Confident43 Ų4341 Ų4123%0.22523%0.229CC..EExtended strand (participates in β ladder)trans-92.3-36.5177.3-63.7-179.5000112.4L237 C239 D250 F282L237-L252 HydrophobicContact CB-CB 4.46Å; L237-L252 HydrophobicContact CD2-CB 3.94Å; L237-L252 HydrophobicContact CD2-CD1 3.9Å; L237-L252 HydrophobicContact CG-CB 4.07Å; L237-L252 HydrophobicContact CG-CD1 4.26Å; L237-L252 PolarHBondContact O-N 3.44Å; C239-L252 HydrophobicContact CB-CD1 4.12Å; C239-L252 HydrophobicContact CB-CG 4.45Å; C239-L252 WeakPolarHBondContact SG-CD1 3.48Å; D250-L252 PolarHBondContact O-N 3.36Å; L252-F282 HydrophobicContact CD1-CB 3.75Å; L252-F282 HydrophobicContact CD1-CD2 4.38Å; L252-F282 HydrophobicContact CD1-CG 4.34Å
253C87.8Confident89.5Confident0 Ų040.8 Ų40.80%024%0.236CC..EExtended strand (participates in β ladder)trans-130.1122.2176.6-178.90000108.8L234 W236 L237 Q291 R297L234-C253 HydrophobicContact CD2-CB 3.75Å; L234-C253 HydrophobicContact CG-CB 4.34Å; W236-C253 VanDerWaalsContact CD1-O 3.3Å; L237-C253 HydrophobicContact CB-CB 3.82Å; L237-C253 PolarHBondContact N-O 3.45Å; L237-C253 PolarHBondContact O-N 2.8Å; C253-Q291 PolarHBondContact SG-OE1 3.38Å; C253-R297 PolarHBondContact SG-NH1 3.12Å
254N89.6Confident89.6Confident73 Ų7343.4 Ų43.439%0.3925%0.252SS..  trans-66.2145.5179-74.6-21.5000111.9L256 A289 R297N254-L256 PolarHBondContact O-N 3.2Å; N254-A289 WeakPolarHBondContact CB-O 3.26Å; N254-A289 PolarHBondContact N-O 3.45Å; N254-A289 PolarHBondContact ND2-O 2.87Å; N254-R297 PolarHBondContact O-NH1 3.12Å; N254-R297 PolarHBondContact O-NH2 2.71Å
255Y91.5Very high89.8Confident40 Ų4040.1 Ų40.116%0.15724%0.243CC..  trans-55.9123.6178.6-179.5-99.6000111.4F175 A199 A201 P202 M219 H235 W236 Q257 P258F175-Y255 WeakPolarHBondContact CE1-OH 3.3Å; A199-Y255 PolarHBondContact O-OH 3.3Å; A201-Y255 VanDerWaalsContact C-CE1 3.46Å; A201-Y255 WeakPolarHBondContact O-CE1 3.32Å; A201-Y255 PolarHBondContact O-OH 3.34Å; P202-Y255 HydrophobicContact CB-CD1 4.07Å; P202-Y255 HydrophobicContact CB-CD2 4.05Å; P202-Y255 HydrophobicContact CB-CG 3.81Å; M219-Y255 HydrophobicContact CE-CE2 4.36Å; M219-Y255 HydrophobicContact SD-CD2 4.38Å; M219-Y255 HydrophobicContact SD-CE2 3.79Å; H235-Y255 CarbonylContact O-C 3.51Å; H235-Y255 WeakPolarHBondContact O-CA 3.28Å; W236-Y255 HydrophobicContact CB-CD2 4.07Å; W236-Y255 HydrophobicContact CD2-CD2 4.05Å; W236-Y255 HydrophobicContact CE3-CD2 4.2Å; W236-Y255 HydrophobicContact CG-CD2 4.02Å; Y255-Q257 HydrophobicContact CE1-CB 4.46Å; Y255-P258 WeakPolarHBondContact OH-CD 3.44Å
256L89.8Confident90Very high8 Ų840.4 Ų40.44%0.04224%0.244CC..  trans-110.3129.3167.5179.667.8000108.2H235 N254 L259 L294H235-L256 PolarHBondContact ND1-O 2.58Å; H235-L256 PolarHBondContact O-N 3Å; N254-L256 PolarHBondContact O-N 3.2Å; L256-L259 HydrophobicContact CD1-CD1 4.16Å; L256-L259 HydrophobicContact CD2-CD1 4.16Å; L256-L259 HydrophobicContact CG-CD1 4.25Å; L256-L294 HydrophobicContact CD2-CD2 4.18Å
257Q91.1Very high90.2Very high7 Ų739.5 Ų39.53%0.03324%0.239CC..  trans-53.8151.217468.8-173.279.200111H235 Y255 L259 C331H235-Q257 PolarHBondContact CE1-O 3.12Å; H235-Q257 VanDerWaalsContact CE1-O 3.23Å; H235-Q257 PolarHBondContact ND1-O 3.3Å; Y255-Q257 HydrophobicContact CE1-CB 4.46Å; Q257-L259 HydrophobicContact CG-CD2 3.91Å; Q257-L259 HydrophobicContact CG-CG 4.24Å; Q257-L259 WeakPolarHBondContact O-CG 3.44Å; Q257-L259 PolarHBondContact O-N 3.5Å; Q257-C331 VanDerWaalsContact CD-SG 3.59Å; Q257-C331 HydrophobicContact CG-CB 4.38Å
258P92Very high90.6Very high0 Ų035.9 Ų35.90%021%0.209CC..  trans-51.6128.4169.5-31.939.6000112.1A199 M219 Y255 P260 F269 F320 C322A199-P258 HydrophobicContact CB-CG 3.65Å; A199-P258 WeakPolarHBondContact O-CD 3.27Å; M219-P258 HydrophobicContact CE-CG 4.29Å; Y255-P258 WeakPolarHBondContact OH-CD 3.44Å; P258-P260 VanDerWaalsContact C-CD 3.41Å; P258-P260 WeakPolarHBondContact O-CD 3.06Å; P258-F269 HydrophobicContact CB-CD1 4.2Å; P258-F269 HydrophobicContact CB-CD2 4.32Å; P258-F269 HydrophobicContact CB-CE1 3.64Å; P258-F269 HydrophobicContact CB-CE2 3.82Å; P258-F269 HydrophobicContact CB-CZ 3.45Å; P258-F269 VanDerWaalsContact CB-CZ 3.45Å; P258-F269 HydrophobicContact CG-CD1 4.23Å; P258-F269 HydrophobicContact CG-CE1 4.11Å; P258-F269 HydrophobicContact CG-CZ 4.33Å; P258-F320 HydrophobicContact CG-CE2 4.03Å; P258-F320 HydrophobicContact CG-CZ 4.11Å; P258-C322 HydrophobicContact CB-CB 4.44Å
259L89.6Confident90.8Very high10 Ų1033.2 Ų33.25%0.05219%0.19CC..  trans-125.768.7178.6-65.5175.4000111.5L256 Q257 C328 C331 F332 L336L256-L259 HydrophobicContact CD1-CD1 4.16Å; L256-L259 HydrophobicContact CD2-CD1 4.16Å; L256-L259 HydrophobicContact CG-CD1 4.25Å; Q257-L259 HydrophobicContact CG-CD2 3.91Å; Q257-L259 HydrophobicContact CG-CG 4.24Å; Q257-L259 WeakPolarHBondContact O-CG 3.44Å; Q257-L259 PolarHBondContact O-N 3.5Å; L259-C328 HydrophobicContact CD2-CB 4.24Å; L259-C331 HydrophobicContact CD2-CB 3.6Å; L259-F332 HydrophobicContact CB-CZ 4.39Å; L259-L336 HydrophobicContact CD1-CD1 3.61Å
260P92.1Very high91.2Very high0 Ų032.8 Ų32.80%019%0.186CC..PPolyproline II helixtrans-61.4136.3166.625.8-32.2000110.2P196 P258 H267 C322 E323P196-P260 HydrophobicContact CG-CG 3.78Å; P258-P260 VanDerWaalsContact C-CD 3.41Å; P258-P260 WeakPolarHBondContact O-CD 3.06Å; P260-H267 HydrophobicContact CB-CB 4.32Å; P260-C322 HydrophobicContact CG-CB 4.08Å; P260-E323 VanDerWaalsContact CG-C 3.42Å; P260-E323 VanDerWaalsContact CG-O 3.29Å; P260-E323 WeakPolarHBondContact CG-O 3.23Å
261L90.5Very high91.4Very high9 Ų929.9 Ų29.95%0.04717%0.17CC..PPolyproline II helixtrans-80.6153.1-177.8-53.4171.9000110.1I226 G263 T264 F332 P341 F343I226-L261 HydrophobicContact CG2-CD1 3.2Å; L261-G263 PolarHBondContact O-N 3.4Å; L261-G263 VanDerWaalsContact O-N 3.1Å; L261-T264 HydrophobicContact CB-CG2 3.78Å; L261-T264 HydrophobicContact CD1-CG2 4.29Å; L261-T264 PolarHBondContact O-N 3.16Å; L261-T264 PolarHBondContact O-OG1 3.07Å; L261-F332 HydrophobicContact CD2-CE1 4.41Å; L261-F332 HydrophobicContact CD2-CE2 4.2Å; L261-F332 HydrophobicContact CD2-CZ 3.52Å; L261-P341 HydrophobicContact CD2-CG 3.88Å; L261-F343 HydrophobicContact CB-CD2 4.08Å; L261-F343 HydrophobicContact CB-CE2 4.09Å; L261-F343 HydrophobicContact CD1-CD2 4.4Å; L261-F343 HydrophobicContact CD1-CE2 3.68Å; L261-F343 HydrophobicContact CD1-CZ 4.32Å; L261-F343 HydrophobicContact CG-CE2 4.44Å
262R91.3Very high91.7Very high114 Ų11426.8 Ų26.843%0.4315%0.151SC..BIsolated β-bridgetrans-70.1116.5-178.1-166.2171.3177.8-154.6-2.4110.1W324 F342 F343R262-W324 HydrophobicContact CB-CD2 4.28Å; R262-W324 HydrophobicContact CB-CG 4.09Å; R262-W324 HydrophobicContact CG-CD2 3.92Å; R262-W324 HydrophobicContact CG-CE3 4.4Å; R262-W324 HydrophobicContact CG-CG 4.16Å; R262-W324 HydrophobicContact CG-CZ2 4.27Å; R262-F342 HydrophobicContact CB-CD2 4.13Å; R262-F342 HydrophobicContact CG-CD2 3.81Å; R262-F342 HydrophobicContact CG-CE2 4.15Å; R262-F343 PolarHBondContact O-N 3.22Å
263G88.4Confident92.1Very high48 Ų4824.8 Ų24.850%0.49514%0.141SC..THydrogen-bonded Turntrans89.58.1175.600000115.9L261 F343L261-G263 PolarHBondContact O-N 3.4Å; L261-G263 VanDerWaalsContact O-N 3.1Å; G263-F343 WeakPolarHBondContact CA-O 3.28Å
264T91Very high92.5Very high59 Ų5924.8 Ų24.836%0.36214%0.141SC..SBendtrans-86.3-13.9172.548.30000113.5L261 H267 F343L261-T264 HydrophobicContact CB-CG2 3.78Å; L261-T264 HydrophobicContact CD1-CG2 4.29Å; L261-T264 PolarHBondContact O-N 3.16Å; L261-T264 PolarHBondContact O-OG1 3.07Å; T264-H267 VanDerWaalsContact CB-NE2 3.35Å; T264-H267 WeakPolarHBondContact CB-NE2 3.44Å; T264-H267 PolarHBondContact OG1-NE2 3.26Å; T264-F343 HydrophobicContact CG2-CB 4.17Å; T264-F343 HydrophobicContact CG2-CD2 3.77Å; T264-F343 HydrophobicContact CG2-CE2 4.36Å; T264-F343 HydrophobicContact CG2-CG 3.96Å
265G91.6Very high92.7Very high38 Ų3823.9 Ų23.939%0.39213%0.134SC..  trans97.1-144.7177.900000112.6
266L93.9Very high92.7Very high84 Ų8422.3 Ų22.344%0.4413%0.128SC..PPolyproline II helixtrans-89126.8-179.6-66.5172.9000110.2L193 C322 E323L193-L266 HydrophobicContact CD1-CD2 3.67Å; L266-C322 WeakPolarHBondContact CA-O 3.14Å; L266-E323 HydrophobicContact CD2-CB 3.81Å; L266-E323 HydrophobicContact CD2-CG 4.34Å
267H94.4Very high92.7Very high3 Ų327.2 Ų27.21%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-101.6140.2175.3-73-123.1000110D223 P260 T264 F269 Q321 C322D223-H267 HydrophobicContact CB-CB 4.27Å; D223-H267 PolarHBondContact O-CE1 3.14Å; D223-H267 PolarHBondContact O-ND1 3.32Å; P260-H267 HydrophobicContact CB-CB 4.32Å; T264-H267 VanDerWaalsContact CB-NE2 3.35Å; T264-H267 WeakPolarHBondContact CB-NE2 3.44Å; T264-H267 PolarHBondContact OG1-NE2 3.26Å; H267-F269 HydrophobicContact CB-CD2 4.48Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.3Å; H267-Q321 CarbonylContact O-C 3.58Å; H267-Q321 VanDerWaalsContact O-CA 3.25Å; H267-Q321 WeakPolarHBondContact O-CA 3.38Å; H267-C322 PolarHBondContact N-O 3.2Å; H267-C322 PolarHBondContact O-N 3.43Å
268R94.8Very high92.4Very high27 Ų2729.6 Ų29.610%0.10217%0.171CC..EExtended strand (participates in β ladder)trans-87.7135.6172.8-60.2166.9-65.81587.2109.4F152 D157 N221 P222 D223F152-R268 PolarHBondContact O-NH1 3.17Å; D157-R268 IonicContact OD2-CZ 2.74Å; D157-R268 IonicContact OD2-NH1 3.65Å; D157-R268 PolarHBondContact OD2-NH1 3.43Å; D157-R268 IonicContact OD2-NH2 3.69Å; D157-R268 PolarHBondContact OD2-NH2 3.4Å; N221-R268 PolarHBondContact OD1-O 3.14Å; P222-R268 WeakPolarHBondContact CD-O 3.14Å; P222-R268 HydrophobicContact CG-CB 4.39Å; D223-R268 IonicContact OD1-CZ 2.92Å; D223-R268 IonicContact OD1-NE 3.77Å; D223-R268 PolarHBondContact OD1-NE 2.76Å; D223-R268 IonicContact OD1-NH2 2.97Å; D223-R268 PolarHBondContact OD1-NH2 3.35Å; D223-R268 WeakPolarHBondContact OD2-CB 3.32Å; D223-R268 WeakPolarHBondContact OD2-CG 3.48Å; D223-R268 IonicContact OD2-CZ 3.87Å; D223-R268 PolarHBondContact OD2-N 3.06Å; D223-R268 IonicContact OD2-NE 2.76Å; D223-R268 PolarHBondContact OD2-NE 2.67Å; D223-R268 IonicContact OD2-NH2 2.9Å
269F95Very high92Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-118.2117.7171.7-70.9-92.2000108.2M219 N221 H235 P258 H267 F319 F320 C322M219-F269 HydrophobicContact CE-CB 4.13Å; M219-F269 HydrophobicContact CE-CD1 3.89Å; M219-F269 HydrophobicContact CE-CG 4.33Å; N221-F269 HydrophobicContact CB-CD1 3.92Å; N221-F269 HydrophobicContact CB-CE1 3.67Å; N221-F269 HydrophobicContact CB-CZ 4.24Å; N221-F269 WeakPolarHBondContact ND2-CE1 3.25Å; N221-F269 VanDerWaalsContact ND2-CZ 3.29Å; N221-F269 WeakPolarHBondContact ND2-CZ 3.29Å; H235-F269 AromaticContact CD2-CE1 3.81Å; H235-F269 AromaticContact CE1-CE1 3.72Å; H235-F269 AromaticContact NE2-CE1 3.47Å; H235-F269 WeakPolarHBondContact NE2-CE1 3.28Å; P258-F269 HydrophobicContact CB-CD1 4.2Å; P258-F269 HydrophobicContact CB-CD2 4.32Å; P258-F269 HydrophobicContact CB-CE1 3.64Å; P258-F269 HydrophobicContact CB-CE2 3.82Å; P258-F269 HydrophobicContact CB-CZ 3.45Å; P258-F269 VanDerWaalsContact CB-CZ 3.45Å; P258-F269 HydrophobicContact CG-CD1 4.23Å; P258-F269 HydrophobicContact CG-CE1 4.11Å; P258-F269 HydrophobicContact CG-CZ 4.33Å; H267-F269 HydrophobicContact CB-CD2 4.48Å; H267-F269 HydrophobicContact CB-CE2 3.71Å; H267-F269 HydrophobicContact CB-CZ 4.3Å; F269-F319 CarbonylContact O-C 3.53Å; F269-F319 WeakPolarHBondContact O-CA 3.08Å; F269-F319 WeakPolarHBondContact O-CB 3.4Å; F269-F320 HydrophobicContact CB-CD1 4.09Å; F269-F320 HydrophobicContact CB-CD2 4.17Å; F269-F320 HydrophobicContact CB-CE1 3.69Å; F269-F320 HydrophobicContact CB-CE2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.32Å; F269-F320 HydrophobicContact CB-CZ 3.54Å; F269-F320 HydrophobicContact CD2-CD2 4.44Å; F269-F320 HydrophobicContact CD2-CE2 4.07Å; F269-F320 HydrophobicContact CG-CE2 4.01Å; F269-F320 HydrophobicContact CG-CZ 4.01Å; F269-F320 PolarHBondContact N-O 3.2Å; F269-F320 PolarHBondContact O-N 2.9Å; F269-C322 HydrophobicContact CD2-CB 4.06Å; F269-C322 HydrophobicContact CE2-CB 3.66Å
270V95.2Very high91.6Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-111.9125.2-172.6-171.80000109.8I154 L158 M219 V220 V272 L317 F319I154-V270 HydrophobicContact CD1-CG2 4.16Å; I154-V270 HydrophobicContact CG1-CG2 4.23Å; I154-V270 HydrophobicContact CG2-CG1 3.95Å; I154-V270 HydrophobicContact CG2-CG2 4.15Å; L158-V270 HydrophobicContact CD1-CB 4.26Å; L158-V270 HydrophobicContact CD1-CG1 3.86Å; M219-V270 WeakPolarHBondContact CA-O 3.45Å; V220-V270 HydrophobicContact CG2-CB 4.2Å; V220-V270 PolarHBondContact N-O 3.27Å; V220-V270 PolarHBondContact O-N 3.37Å; V270-V272 HydrophobicContact CG1-CG2 3.87Å; V270-L317 HydrophobicContact CG1-CD1 3.42Å; V270-L317 VanDerWaalsContact CG1-CD1 3.42Å; V270-F319 HydrophobicContact CB-CB 4.3Å; V270-F319 HydrophobicContact CG1-CB 4.32Å; V270-F319 HydrophobicContact CG2-CB 4.04Å
271L95.4Very high90.9Very high0 Ų048.2 Ų48.20%025%0.248CC..EExtended strand (participates in β ladder)trans-99.5116.5169.9-69.8163.6000108.5L171 A173 L217 V218 M219 L317 A318L171-L271 HydrophobicContact CD2-CB 3.94Å; A173-L271 HydrophobicContact CB-CD1 3.79Å; L217-L271 HydrophobicContact CD1-CD2 4.34Å; V218-L271 CarbonylContact O-C 3.56Å; V218-L271 WeakPolarHBondContact O-CA 3.47Å; M219-L271 HydrophobicContact CB-CD2 3.53Å; M219-L271 HydrophobicContact CG-CD2 3.57Å; M219-L271 HydrophobicContact CG-CG 4.21Å; M219-L271 HydrophobicContact SD-CD2 4Å; L271-L317 WeakPolarHBondContact O-CA 3.46Å; L271-A318 WeakPolarHBondContact CA-O 3.45Å; L271-A318 HydrophobicContact CB-CB 4.36Å; L271-A318 WeakPolarHBondContact CB-O 3.46Å; L271-A318 PolarHBondContact N-O 2.88Å; L271-A318 PolarHBondContact O-N 3.19Å
272V94.8Very high90.1Very high0 Ų048.9 Ų48.90%025%0.25CS..EExtended strand (participates in β ladder)trans-111.1125.5175.6-171.50000108.6L158 F165 V218 V270 F274 L301 L317L158-V272 HydrophobicContact CD1-CG2 4.13Å; F165-V272 HydrophobicContact CZ-CG1 4.42Å; V218-V272 PolarHBondContact N-O 3.3Å; V218-V272 PolarHBondContact O-N 2.93Å; V270-V272 HydrophobicContact CG1-CG2 3.87Å; V272-F274 HydrophobicContact CB-CE2 3.89Å; V272-F274 HydrophobicContact CB-CZ 4.24Å; V272-F274 HydrophobicContact CG1-CD1 4.44Å; V272-F274 HydrophobicContact CG1-CD2 4.01Å; V272-F274 HydrophobicContact CG1-CE1 3.99Å; V272-F274 HydrophobicContact CG1-CE2 3.48Å; V272-F274 VanDerWaalsContact CG1-CE2 3.48Å; V272-F274 HydrophobicContact CG1-CG 4.46Å; V272-F274 HydrophobicContact CG1-CZ 3.48Å; V272-F274 VanDerWaalsContact CG1-CZ 3.48Å; V272-L301 HydrophobicContact CG2-CD2 4.01Å; V272-L317 HydrophobicContact CG2-CD1 4.06Å
273L95Very high88.6Confident0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-103122.8173.5-175.473.5000108.9V169 L171 Y207 W215 L217 A315 G316V169-L273 HydrophobicContact CG1-CD2 3.98Å; L171-L273 HydrophobicContact CD1-CB 4.38Å; L171-L273 HydrophobicContact CD1-CD2 4.3Å; L171-L273 HydrophobicContact CD2-CB 4.21Å; Y207-L273 HydrophobicContact CD1-CD1 4.41Å; Y207-L273 HydrophobicContact CD1-CD2 4.04Å; Y207-L273 HydrophobicContact CD2-CD2 3.87Å; Y207-L273 HydrophobicContact CE1-CD1 4.09Å; Y207-L273 HydrophobicContact CE1-CD2 4.41Å; Y207-L273 HydrophobicContact CE2-CD2 4.26Å; Y207-L273 HydrophobicContact CG-CD2 3.77Å; W215-L273 HydrophobicContact CB-CD1 4.11Å; W215-L273 HydrophobicContact CD2-CD2 4.48Å; W215-L273 HydrophobicContact CE3-CD1 4.2Å; W215-L273 HydrophobicContact CE3-CD2 3.74Å; W215-L273 HydrophobicContact CE3-CG 3.74Å; W215-L273 HydrophobicContact CZ3-CD2 3.96Å; W215-L273 HydrophobicContact CZ3-CG 4.27Å; L217-L273 HydrophobicContact CB-CD1 4.47Å; L217-L273 HydrophobicContact CD1-CD1 4.32Å; L273-A315 PolarHBondContact O-N 3.15Å; L273-G316 PolarHBondContact N-O 2.98Å; L273-G316 PolarHBondContact O-N 3.18Å
274F94.5Very high87.1Confident0 Ų051.3 Ų51.30%028%0.277CS..EExtended strand (participates in β ladder)trans-110.5139.1174.7-57.9-91.5000111.7F159 W215 T216 V218 V272 L301 Y305 I312 T313 P314F159-F274 HydrophobicContact CE1-CE1 4.35Å; F159-F274 HydrophobicContact CE1-CZ 4.43Å; F159-F274 HydrophobicContact CZ-CE1 4.13Å; F159-F274 HydrophobicContact CZ-CZ 4.06Å; W215-F274 CarbonylContact C-O 3.54Å; W215-F274 WeakPolarHBondContact CA-O 3.38Å; T216-F274 PolarHBondContact N-O 3.18Å; T216-F274 PolarHBondContact O-N 2.72Å; V218-F274 HydrophobicContact CB-CE2 4.36Å; V218-F274 HydrophobicContact CG2-CD2 3.92Å; V218-F274 HydrophobicContact CG2-CE2 3.65Å; V272-F274 HydrophobicContact CB-CE2 3.89Å; V272-F274 HydrophobicContact CB-CZ 4.24Å; V272-F274 HydrophobicContact CG1-CD1 4.44Å; V272-F274 HydrophobicContact CG1-CD2 4.01Å; V272-F274 HydrophobicContact CG1-CE1 3.99Å; V272-F274 HydrophobicContact CG1-CE2 3.48Å; V272-F274 VanDerWaalsContact CG1-CE2 3.48Å; V272-F274 HydrophobicContact CG1-CG 4.46Å; V272-F274 HydrophobicContact CG1-CZ 3.48Å; V272-F274 VanDerWaalsContact CG1-CZ 3.48Å; F274-L301 HydrophobicContact CE2-CD1 3.98Å; F274-L301 HydrophobicContact CZ-CD1 3.9Å; F274-L301 HydrophobicContact CZ-CD2 4.29Å; F274-L301 HydrophobicContact CZ-CG 4.34Å; F274-Y305 HydrophobicContact CD1-CD2 4.49Å; F274-Y305 AromaticContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CE2 4.36Å; F274-I312 HydrophobicContact CB-CG2 3.25Å; F274-I312 HydrophobicContact CD1-CG2 3.25Å; F274-I312 HydrophobicContact CD2-CG2 4.22Å; F274-I312 HydrophobicContact CE1-CG2 4.07Å; F274-I312 HydrophobicContact CG-CG2 3.33Å; F274-T313 CarbonylContact C-O 3.53Å; F274-T313 WeakPolarHBondContact CA-O 3.44Å; F274-P314 VanDerWaalsContact CD1-CA 3.49Å; F274-P314 HydrophobicContact CD1-CB 3.8Å; F274-P314 HydrophobicContact CE1-CB 3.78Å; F274-P314 HydrophobicContact CE1-CG 4.42Å
275K93.9Very high85.5Confident55 Ų5549.6 Ų49.624%0.23927%0.267CS..EExtended strand (participates in β ladder)trans-86.5131170-166.1171.8-173.7169.50109.2F96 D210 W215 I312 T313 A315F96-K275 HydrophobicContact CE2-CB 3.82Å; F96-K275 HydrophobicContact CE2-CD 4.16Å; F96-K275 HydrophobicContact CZ-CB 3.81Å; F96-K275 HydrophobicContact CZ-CD 3.71Å; F96-K275 HydrophobicContact CZ-CG 4.25Å; D210-K275 IonicContact OD2-NZ 3.19Å; W215-K275 HydrophobicContact CD2-CG 4.44Å; W215-K275 HydrophobicContact CE3-CB 3.83Å; W215-K275 HydrophobicContact CE3-CG 4.2Å; W215-K275 HydrophobicContact CH2-CB 3.86Å; W215-K275 HydrophobicContact CH2-CD 3.7Å; W215-K275 HydrophobicContact CH2-CG 3.74Å; W215-K275 HydrophobicContact CZ2-CD 4Å; W215-K275 HydrophobicContact CZ2-CG 3.97Å; W215-K275 HydrophobicContact CZ3-CB 3.48Å; W215-K275 VanDerWaalsContact CZ3-CB 3.48Å; W215-K275 HydrophobicContact CZ3-CD 4.25Å; W215-K275 HydrophobicContact CZ3-CG 3.86Å; K275-I312 WeakPolarHBondContact O-CA 3.4Å; K275-T313 PolarHBondContact N-O 2.94Å; K275-T313 PolarHBondContact O-N 3.1Å; K275-A315 HydrophobicContact CB-CB 4.37Å
276Q92.5Very high83.7Confident7 Ų749.7 Ų49.73%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-97.7142.9174.7-58.3178.9-20.700110.8Y214 T216 N240 F282 Y311 I312Y214-Q276 WeakPolarHBondContact O-CB 3.25Å; Y214-Q276 PolarHBondContact O-N 2.85Å; T216-Q276 PolarHBondContact OG1-NE2 3.2Å; N240-Q276 PolarHBondContact OD1-NE2 3.43Å; N240-Q276 VanDerWaalsContact OD1-NE2 3.11Å; N240-Q276 PolarHBondContact OD1-OE1 2.81Å; N240-Q276 VanDerWaalsContact OD1-OE1 3.04Å; Q276-F282 VanDerWaalsContact NE2-CZ 3.31Å; Q276-Y311 CarbonylContact C-O 3.56Å; Q276-Y311 VanDerWaalsContact CA-O 3.29Å; Q276-Y311 WeakPolarHBondContact CA-O 3.39Å; Q276-I312 HydrophobicContact CG-CG1 4.4Å
277N88.6Confident81.4Confident110 Ų11052.4 Ų52.459%0.58829%0.294SS*.SBendtrans-76.1-33.7173-69.3-25.2000112.4D310 Y311N277-D310 PolarHBondContact ND2-O 3.18Å; N277-D310 VanDerWaalsContact ND2-O 3.11Å; N277-Y311 PolarHBondContact N-O 3.44Å
278S85.3Confident79.5Confident57 Ų5755.1 Ų55.140%0.39931%0.313SS..SBendtrans-152.6155.4-179.759.10000111.1R280S278-R280 PolarHBondContact O-N 3.23Å
279R84.7Confident77.8Confident154 Ų15456 Ų5658%0.58133%0.326SS*.  trans-63.1128.1175.5-173.1176-175.3177.24.9109.8Y214 N240 D250Y214-R279 HydrophobicContact CD1-CB 4.34Å; Y214-R279 HydrophobicContact CD2-CB 4.26Å; Y214-R279 HydrophobicContact CE1-CB 4.1Å; Y214-R279 HydrophobicContact CE1-CG 4.33Å; Y214-R279 HydrophobicContact CE2-CB 4.03Å; Y214-R279 HydrophobicContact CG-CB 4.41Å; N240-R279 HydrophobicContact CB-CG 4.12Å; D250-R279 IonicContact OD1-NH2 3.4Å; D250-R279 IonicContact OD2-NH2 3.11Å; D250-R279 PolarHBondContact OD2-NH2 3.35Å
280R79.9Confident76.1Confident85 Ų8562.3 Ų62.332%0.32136%0.355SS..  trans-138.9142.4-179.1-169.5173.6-179.5-168.6-3.6111.4N240 S278 F282N240-R280 PolarHBondContact ND2-O 2.84Å; N240-R280 PolarHBondContact OD1-N 3.21Å; N240-R280 PolarHBondContact OD1-O 2.93Å; S278-R280 PolarHBondContact O-N 3.23Å; R280-F282 HydrophobicContact CB-CE2 4.47Å; R280-F282 HydrophobicContact CB-CZ 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 WeakPolarHBondContact O-CE2 3.48Å
281Q77.1Confident74.5Confident163 Ų16362.5 Ų62.576%0.76236%0.356SS*.  trans-82.4118.5167-68.1179.71.500108.7T283Q281-T283 PolarHBondContact O-N 2.84Å
282F73.8Confident73Confident22 Ų2267.2 Ų67.210%0.09638%0.381CS..  trans-82.998.2177-63.4-90000109.1C239 L252 Q276 R280 A284 F304 N308 I312C239-F282 HydrophobicContact CB-CD2 3.53Å; C239-F282 HydrophobicContact CB-CE2 3.63Å; C239-F282 WeakPolarHBondContact SG-CD2 3.49Å; L252-F282 HydrophobicContact CD1-CB 3.75Å; L252-F282 HydrophobicContact CD1-CD2 4.38Å; L252-F282 HydrophobicContact CD1-CG 4.34Å; Q276-F282 VanDerWaalsContact NE2-CZ 3.31Å; R280-F282 HydrophobicContact CB-CE2 4.47Å; R280-F282 HydrophobicContact CB-CZ 4.44Å; R280-F282 WeakPolarHBondContact O-CD2 3.28Å; R280-F282 WeakPolarHBondContact O-CE2 3.48Å; F282-A284 PolarHBondContact O-N 3.42Å; F282-F304 AromaticContact CD1-CE2 3.85Å; F282-F304 HydrophobicContact CD1-CE2 3.85Å; F282-F304 AromaticContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CE1-CE2 4.43Å; F282-F304 HydrophobicContact CE1-CZ 4.06Å; F282-N308 WeakPolarHBondContact CD1-ND2 3.48Å; F282-N308 WeakPolarHBondContact CE1-ND2 3.35Å; F282-I312 HydrophobicContact CD1-CD1 4.47Å; F282-I312 HydrophobicContact CE1-CD1 3.34Å; F282-I312 HydrophobicContact CE1-CG1 4.27Å; F282-I312 HydrophobicContact CZ-CD1 3.59Å; F282-I312 HydrophobicContact CZ-CG1 4.31Å
283T60.3Low72Confident127 Ų12775 Ų7578%0.77941%0.41SS*.  trans-88.674.2175.7540000109.6Q281Q281-T283 PolarHBondContact O-N 2.84Å
284A56.9Low71.1Confident87 Ų8776.1 Ų76.172%0.71942%0.416SS*.  trans-166.1-25.2174.600000116.7F282 G286F282-A284 PolarHBondContact O-N 3.42Å; A284-G286 PolarHBondContact O-N 3.33Å
285V58.3Low70.3Confident22 Ų2280 Ų8013%0.13344%0.437CS..SBendtrans-93.988.3-173.2-168.90000109.1L234 L237 F299 F304L234-V285 HydrophobicContact CD2-CG1 3.71Å; L237-V285 HydrophobicContact CD2-CB 3.84Å; L237-V285 HydrophobicContact CD2-CG1 3.72Å; L237-V285 HydrophobicContact CD2-CG2 3.76Å; V285-F299 HydrophobicContact CG1-CD2 4.29Å; V285-F299 HydrophobicContact CG1-CE2 4.22Å; V285-F299 HydrophobicContact CG2-CE2 3.98Å; V285-F304 HydrophobicContact CG2-CD2 3.98Å; V285-F304 HydrophobicContact CG2-CE2 4.05Å
286G53.2Low69.7Low40 Ų4082 Ų8241%0.41245%0.447SS..  trans38.997.5167.600000116.2A284 S288 Q291A284-G286 PolarHBondContact O-N 3.33Å; G286-S288 PolarHBondContact O-N 3.04Å; G286-Q291 PolarHBondContact O-NE2 3.43Å
287S46.7Very low69.3Low142 Ų14282.1 Ų82.199%0.99345%0.447SS*.SBendtrans-57.324.6-170.3-46.40000119.3
288S54Low69.2Low59 Ų5979.1 Ų79.141%0.41343%0.433SS..  trans-138.2120.4170.7-172.10000110G286 E290 Q291G286-S288 PolarHBondContact O-N 3.04Å; S288-E290 PolarHBondContact O-N 3.23Å; S288-Q291 VanDerWaalsContact O-CG 3.28Å; S288-Q291 WeakPolarHBondContact O-CG 3.36Å; S288-Q291 PolarHBondContact O-N 3.39Å
289A57.8Low69.3Low45 Ų4577.6 Ų77.637%0.37242%0.419SS..THydrogen-bonded Turntrans-56.3-20.8176.800000112.8N254N254-A289 WeakPolarHBondContact CB-O 3.26Å; N254-A289 PolarHBondContact N-O 3.45Å; N254-A289 PolarHBondContact ND2-O 2.87Å
290E59.6Low69.5Low133 Ų13371.2 Ų71.262%0.62140%0.398SS*.THydrogen-bonded Turntrans-85.7-11.3-170.9-65.7-174.1168.400115.1S288 I292S288-E290 PolarHBondContact O-N 3.23Å; E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 HydrophobicContact CB-CD1 4.49Å; E290-I292 HydrophobicContact CB-CG1 4.22Å; E290-I292 WeakPolarHBondContact O-CA 3.42Å; E290-I292 WeakPolarHBondContact O-CG1 3.35Å; E290-I292 PolarHBondContact O-N 3.36Å
291Q61.9Low70Confident5 Ų567.2 Ų67.22%0.02338%0.383CS..  trans-2.675.3-178.5-61.8-173.3-11.400114.8C253 G286 S288 R293 R297C253-Q291 PolarHBondContact SG-OE1 3.38Å; G286-Q291 PolarHBondContact O-NE2 3.43Å; S288-Q291 VanDerWaalsContact O-CG 3.28Å; S288-Q291 WeakPolarHBondContact O-CG 3.36Å; S288-Q291 PolarHBondContact O-N 3.39Å; Q291-R293 VanDerWaalsContact C-N 3.33Å; Q291-R297 HydrophobicContact CB-CG 4.19Å; Q291-R297 PolarHBondContact O-NE 3.4Å; Q291-R297 PolarHBondContact O-NH2 2.97Å
292I65.2Low70.7Confident99 Ų9960.9 Ų60.951%0.50835%0.354SS..  trans-80.8-23.2-172.2-55.2178.9000109.5E290 K335 L336E290-I292 VanDerWaalsContact C-N 3.28Å; E290-I292 HydrophobicContact CB-CD1 4.49Å; E290-I292 HydrophobicContact CB-CG1 4.22Å; E290-I292 WeakPolarHBondContact O-CA 3.42Å; E290-I292 WeakPolarHBondContact O-CG1 3.35Å; E290-I292 PolarHBondContact O-N 3.36Å; I292-K335 VanDerWaalsContact CG2-O 3.27Å; I292-K335 WeakPolarHBondContact CG2-O 2.9Å; I292-L336 WeakPolarHBondContact O-CD2 3.15Å
293R72.8Confident71.4Confident163 Ų16366.4 Ų66.462%0.61538%0.378SS*.SBendtrans-95.8137.7-179.5-63.7-171176.5112.80.5111.4Q291 D295 E296 R297Q291-R293 VanDerWaalsContact C-N 3.33Å; R293-D295 PolarHBondContact O-N 3.43Å; R293-E296 HydrophobicContact CB-CG 4.33Å; R293-E296 IonicContact NH1-OE1 2.6Å; R293-E296 PolarHBondContact O-N 3.02Å; R293-R297 WeakPolarHBondContact O-CG 3.5Å
294L76.1Confident72.8Confident23 Ų2361 Ų6112%0.1234%0.344CS..THydrogen-bonded Turntrans-62.7-31.5174.6-69.6-179.3000112.7Y227 L256 E296 R297 F332 L336 M338Y227-L294 HydrophobicContact CE2-CB 3.82Å; L256-L294 HydrophobicContact CD2-CD2 4.18Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 PolarHBondContact O-N 3.11Å; L294-R297 WeakPolarHBondContact O-CB 3.49Å; L294-R297 PolarHBondContact O-N 3.02Å; L294-R297 VanDerWaalsContact O-N 3.12Å; L294-F332 HydrophobicContact CD1-CE1 3.92Å; L294-L336 HydrophobicContact CD1-CD1 3.8Å; L294-L336 HydrophobicContact CD2-CD1 3.89Å; L294-L336 HydrophobicContact CD2-CD2 4.12Å; L294-L336 HydrophobicContact CG-CD1 3.77Å; L294-L336 HydrophobicContact CG-CD2 4.1Å; L294-M338 HydrophobicContact CD1-CE 4.31Å; L294-M338 HydrophobicContact CD1-SD 3.68Å; L294-M338 HydrophobicContact CG-SD 4.3Å
295D77.8Confident74.4Confident83 Ų8357.7 Ų57.744%0.44431%0.313SS..G310 helixtrans-55.8-46.2176.4-67.6-55.3000112Y227 R293 R297 T298Y227-D295 WeakPolarHBondContact CD1-OD1 3.29Å; Y227-D295 WeakPolarHBondContact CD2-OD1 3.48Å; Y227-D295 WeakPolarHBondContact CE1-OD1 3.47Å; Y227-D295 WeakPolarHBondContact CE2-OD1 3.35Å; Y227-D295 PolarHBondContact OH-OD1 2.98Å; R293-D295 PolarHBondContact O-N 3.43Å; D295-R297 PolarHBondContact O-N 2.98Å; D295-T298 WeakPolarHBondContact O-CB 3.29Å; D295-T298 PolarHBondContact O-N 3.11Å; D295-T298 PolarHBondContact O-OG1 3.33Å
296E81.3Confident75.9Confident95 Ų9561.9 Ų61.944%0.44433%0.332SS..G310 helixtrans-71.2-17.1-178-65.1172.2-166.700112.6R293 L294 T298R293-E296 HydrophobicContact CB-CG 4.33Å; R293-E296 IonicContact NH1-OE1 2.6Å; R293-E296 PolarHBondContact O-N 3.02Å; L294-E296 VanDerWaalsContact C-N 3.31Å; L294-E296 PolarHBondContact O-N 3.11Å; E296-T298 VanDerWaalsContact C-N 3.32Å
297R84.6Confident77.7Confident11 Ų1163.3 Ų63.34%0.04234%0.34CS..G310 helixtrans-86-4.3177.5-59.5-123179.4-160.9-4.7113.1V233 L234 H235 C253 N254 Q291 R293 L294 D295 F299V233-R297 HydrophobicContact CG1-CB 3.99Å; L234-R297 PolarHBondContact N-O 3Å; L234-R297 WeakPolarHBondContact O-CD 3.43Å; L234-R297 PolarHBondContact O-NH1 3.46Å; H235-R297 PolarHBondContact O-NH1 2.84Å; C253-R297 PolarHBondContact SG-NH1 3.12Å; N254-R297 PolarHBondContact O-NH1 3.12Å; N254-R297 PolarHBondContact O-NH2 2.71Å; Q291-R297 HydrophobicContact CB-CG 4.19Å; Q291-R297 PolarHBondContact O-NE 3.4Å; Q291-R297 PolarHBondContact O-NH2 2.97Å; R293-R297 WeakPolarHBondContact O-CG 3.5Å; L294-R297 WeakPolarHBondContact O-CB 3.49Å; L294-R297 PolarHBondContact O-N 3.02Å; L294-R297 VanDerWaalsContact O-N 3.12Å; D295-R297 PolarHBondContact O-N 2.98Å; R297-F299 PolarHBondContact O-N 3.41Å
298T86.4Confident79.7Confident47 Ų4757.1 Ų57.129%0.28830%0.296SS..EExtended strand (participates in β ladder)trans-63.6118.1175.7-59.50000109.6N225 N231 D295 E296N225-T298 WeakPolarHBondContact ND2-CG2 3.34Å; N231-T298 HydrophobicContact CB-CG2 3.7Å; D295-T298 WeakPolarHBondContact O-CB 3.29Å; D295-T298 PolarHBondContact O-N 3.11Å; D295-T298 PolarHBondContact O-OG1 3.33Å; E296-T298 VanDerWaalsContact C-N 3.32Å
299F86.9Confident81.3Confident24 Ų2459.4 Ų59.411%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-135.8153.5-172.5-176.8-105.9000111V218 V220 E232 L234 V285 R297 L301 F304V218-F299 HydrophobicContact CG1-CE1 4.33Å; V220-F299 HydrophobicContact CG1-CD1 3.97Å; V220-F299 HydrophobicContact CG1-CE1 4.34Å; E232-F299 WeakPolarHBondContact CA-O 3.39Å; E232-F299 PolarHBondContact N-O 2.66Å; E232-F299 PolarHBondContact O-N 2.76Å; E232-F299 VanDerWaalsContact O-O 3.1Å; L234-F299 HydrophobicContact CB-CB 3.78Å; L234-F299 HydrophobicContact CB-CG 4.21Å; L234-F299 HydrophobicContact CD1-CD1 4.17Å; L234-F299 HydrophobicContact CD1-CE1 4.4Å; L234-F299 HydrophobicContact CD1-CG 4.41Å; L234-F299 HydrophobicContact CD2-CD2 4.41Å; L234-F299 HydrophobicContact CD2-CG 4.48Å; V285-F299 HydrophobicContact CG1-CD2 4.29Å; V285-F299 HydrophobicContact CG1-CE2 4.22Å; V285-F299 HydrophobicContact CG2-CE2 3.98Å; R297-F299 PolarHBondContact O-N 3.41Å; F299-L301 HydrophobicContact CD1-CB 4.44Å; F299-L301 VanDerWaalsContact CE1-CA 3.46Å; F299-L301 HydrophobicContact CE1-CB 3.93Å; F299-L301 HydrophobicContact CE1-CD1 3.79Å; F299-L301 HydrophobicContact CZ-CD1 4.36Å; F299-F304 HydrophobicContact CE1-CB 4.26Å; F299-F304 HydrophobicContact CE2-CB 3.84Å; F299-F304 HydrophobicContact CE2-CD2 4.23Å; F299-F304 HydrophobicContact CE2-CG 4.17Å; F299-F304 HydrophobicContact CZ-CB 3.35Å; F299-F304 HydrophobicContact CZ-CD1 4.14Å; F299-F304 HydrophobicContact CZ-CD2 4.03Å; F299-F304 AromaticContact CZ-CG 3.59Å; F299-F304 HydrophobicContact CZ-CG 3.59Å
300S89.2Confident82.7Confident21 Ų2163.6 Ų63.615%0.14732%0.316CS..  trans-129.3107.5172.8172.60000107L302 K303 F304S300-L302 PolarHBondContact O-N 3.19Å; S300-K303 PolarHBondContact O-N 3.35Å; S300-F304 PolarHBondContact O-N 3.26Å
301L90.8Very high84.1Confident0 Ų061.6 Ų61.60%030%0.304CS..Hα-helixtrans-62.2-35.4-178.3-17665.1000111.1L158 F159 V218 E232 V272 F274 F299 K303 F304 Y305L158-L301 HydrophobicContact CB-CD2 4.21Å; L158-L301 HydrophobicContact CD1-CD2 4Å; L158-L301 HydrophobicContact CD2-CD2 4.23Å; L158-L301 HydrophobicContact CG-CD2 4.38Å; F159-L301 HydrophobicContact CE2-CD2 4.32Å; F159-L301 HydrophobicContact CZ-CD2 3.95Å; V218-L301 HydrophobicContact CB-CD1 4.42Å; V218-L301 HydrophobicContact CG1-CD1 4.09Å; V218-L301 HydrophobicContact CG2-CD1 4.38Å; E232-L301 PolarHBondContact OE1-N 2.91Å; E232-L301 VanDerWaalsContact OE2-CB 3.32Å; E232-L301 WeakPolarHBondContact OE2-CB 3.32Å; V272-L301 HydrophobicContact CG2-CD2 4.01Å; F274-L301 HydrophobicContact CE2-CD1 3.98Å; F274-L301 HydrophobicContact CZ-CD1 3.9Å; F274-L301 HydrophobicContact CZ-CD2 4.29Å; F274-L301 HydrophobicContact CZ-CG 4.34Å; F299-L301 HydrophobicContact CD1-CB 4.44Å; F299-L301 VanDerWaalsContact CE1-CA 3.46Å; F299-L301 HydrophobicContact CE1-CB 3.93Å; F299-L301 HydrophobicContact CE1-CD1 3.79Å; F299-L301 HydrophobicContact CZ-CD1 4.36Å; L301-K303 PolarHBondContact O-N 3.15Å; L301-F304 HydrophobicContact CD1-CD1 4.19Å; L301-F304 WeakPolarHBondContact O-CB 3.49Å; L301-F304 PolarHBondContact O-N 3.35Å; L301-Y305 WeakPolarHBondContact O-CB 3.48Å; L301-Y305 PolarHBondContact O-N 3.04Å
302L90.4Very high85.5Confident30 Ų3061.3 Ų61.316%0.15730%0.302CS..Hα-helixtrans-55.2-50.7173.9-179.4133.1000112.9L158 E160 S300 F304 Y305 M306L158-L302 WeakPolarHBondContact O-CB 3.42Å; L158-L302 PolarHBondContact O-N 3.36Å; E160-L302 HydrophobicContact CB-CD1 4.43Å; E160-L302 HydrophobicContact CG-CD1 3.5Å; E160-L302 VanDerWaalsContact CG-CD1 3.5Å; S300-L302 PolarHBondContact O-N 3.19Å; L302-F304 VanDerWaalsContact C-N 3.3Å; L302-F304 PolarHBondContact O-N 3.36Å; L302-Y305 PolarHBondContact O-N 2.88Å; L302-M306 HydrophobicContact CD1-CE 4.1Å; L302-M306 HydrophobicContact CD2-CE 3.59Å; L302-M306 HydrophobicContact CD2-SD 3.63Å; L302-M306 HydrophobicContact CG-CE 3.84Å; L302-M306 HydrophobicContact CG-SD 4.2Å; L302-M306 WeakPolarHBondContact O-CB 3.42Å; L302-M306 WeakPolarHBondContact O-CG 3.07Å; L302-M306 PolarHBondContact O-N 3.41Å
303K89.7Confident86.9Confident138 Ų13857.9 Ų57.960%0.629%0.286SS*.Hα-helixtrans-64.8-38.4-179.9-71178.4-176.1165.30111.7S300 L301 A307S300-K303 PolarHBondContact O-N 3.35Å; L301-K303 PolarHBondContact O-N 3.15Å; K303-A307 WeakPolarHBondContact O-CB 2.99Å; K303-A307 PolarHBondContact O-N 3.38Å; K303-A307 VanDerWaalsContact O-N 3.12Å
304F89.6Confident87.9Confident13 Ų1350.1 Ų50.16%0.05726%0.257CS..Hα-helixtrans-63.8-44.6174.9174.9-98.2000111.5F282 V285 F299 S300 L301 L302 A307 N308 I312F282-F304 AromaticContact CD1-CE2 3.85Å; F282-F304 HydrophobicContact CD1-CE2 3.85Å; F282-F304 AromaticContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CD1-CZ 3.9Å; F282-F304 HydrophobicContact CE1-CE2 4.43Å; F282-F304 HydrophobicContact CE1-CZ 4.06Å; V285-F304 HydrophobicContact CG2-CD2 3.98Å; V285-F304 HydrophobicContact CG2-CE2 4.05Å; F299-F304 HydrophobicContact CE1-CB 4.26Å; F299-F304 HydrophobicContact CE2-CB 3.84Å; F299-F304 HydrophobicContact CE2-CD2 4.23Å; F299-F304 HydrophobicContact CE2-CG 4.17Å; F299-F304 HydrophobicContact CZ-CB 3.35Å; F299-F304 HydrophobicContact CZ-CD1 4.14Å; F299-F304 HydrophobicContact CZ-CD2 4.03Å; F299-F304 AromaticContact CZ-CG 3.59Å; F299-F304 HydrophobicContact CZ-CG 3.59Å; S300-F304 PolarHBondContact O-N 3.26Å; L301-F304 HydrophobicContact CD1-CD1 4.19Å; L301-F304 WeakPolarHBondContact O-CB 3.49Å; L301-F304 PolarHBondContact O-N 3.35Å; L302-F304 VanDerWaalsContact C-N 3.3Å; L302-F304 PolarHBondContact O-N 3.36Å; F304-A307 PolarHBondContact O-N 2.98Å; F304-N308 WeakPolarHBondContact O-CB 3.33Å; F304-N308 PolarHBondContact O-N 2.9Å; F304-N308 PolarHBondContact O-OD1 3.37Å; F304-I312 HydrophobicContact CE1-CD1 3.98Å; F304-I312 HydrophobicContact CZ-CD1 4Å
305Y91Very high88.7Confident18 Ų1849 Ų497%0.07125%0.251CS..Hα-helixtrans-63.9-47.8177.2-179.3-106.4000111.5I94 F159 F274 L301 L302 A307 N308 E309 I312 P314I94-Y305 HydrophobicContact CB-CE1 4.45Å; I94-Y305 HydrophobicContact CD1-CE1 4.3Å; I94-Y305 PolarHBondContact O-OH 3.08Å; F159-Y305 HydrophobicContact CD1-CD1 4.2Å; F159-Y305 HydrophobicContact CD1-CG 4.35Å; F159-Y305 HydrophobicContact CE1-CD1 4.22Å; F159-Y305 HydrophobicContact CE1-CD2 4.28Å; F159-Y305 AromaticContact CE1-CG 3.94Å; F159-Y305 HydrophobicContact CE1-CG 3.94Å; F274-Y305 HydrophobicContact CD1-CD2 4.49Å; F274-Y305 AromaticContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CD2 3.88Å; F274-Y305 HydrophobicContact CE1-CE2 4.36Å; L301-Y305 WeakPolarHBondContact O-CB 3.48Å; L301-Y305 PolarHBondContact O-N 3.04Å; L302-Y305 PolarHBondContact O-N 2.88Å; Y305-A307 VanDerWaalsContact C-N 3.29Å; Y305-A307 PolarHBondContact O-N 3.13Å; Y305-N308 CarbonylContact O-C 3.34Å; Y305-N308 PolarHBondContact O-N 3.41Å; Y305-E309 HydrophobicContact CE1-CG 4.18Å; Y305-E309 WeakPolarHBondContact O-CA 3.42Å; Y305-E309 PolarHBondContact O-N 2.99Å; Y305-I312 WeakPolarHBondContact CE2-O 3.33Å; Y305-P314 HydrophobicContact CE2-CG 4.47Å
306M89.6Confident89.4Confident110 Ų11045.1 Ų45.154%0.54223%0.23SC..Hα-helixtrans-58.4-37.2178.1-74.7-178.7173.200113.1L302 N308L302-M306 HydrophobicContact CD1-CE 4.1Å; L302-M306 HydrophobicContact CD2-CE 3.59Å; L302-M306 HydrophobicContact CD2-SD 3.63Å; L302-M306 HydrophobicContact CG-CE 3.84Å; L302-M306 HydrophobicContact CG-SD 4.2Å; L302-M306 WeakPolarHBondContact O-CB 3.42Å; L302-M306 WeakPolarHBondContact O-CG 3.07Å; L302-M306 PolarHBondContact O-N 3.41Å; M306-N308 PolarHBondContact O-N 2.92Å
307A89.7Confident90Very high70 Ų7040.7 Ų40.758%0.57921%0.21SC*.Hα-helixtrans-72-17.9177.300000113.4K303 F304 Y305K303-A307 WeakPolarHBondContact O-CB 2.99Å; K303-A307 PolarHBondContact O-N 3.38Å; K303-A307 VanDerWaalsContact O-N 3.12Å; F304-A307 PolarHBondContact O-N 2.98Å; Y305-A307 VanDerWaalsContact C-N 3.29Å; Y305-A307 PolarHBondContact O-N 3.13Å
308N88.8Confident90.4Very high13 Ų1340.2 Ų40.27%0.0721%0.208CC..Hα-helixtrans-128.610.8-168.6-69.677.6000113.7F282 F304 Y305 M306 D310 Y311 I312F282-N308 WeakPolarHBondContact CD1-ND2 3.48Å; F282-N308 WeakPolarHBondContact CE1-ND2 3.35Å; F304-N308 WeakPolarHBondContact O-CB 3.33Å; F304-N308 PolarHBondContact O-N 2.9Å; F304-N308 PolarHBondContact O-OD1 3.37Å; Y305-N308 CarbonylContact O-C 3.34Å; Y305-N308 PolarHBondContact O-N 3.41Å; M306-N308 PolarHBondContact O-N 2.92Å; N308-D310 VanDerWaalsContact C-N 3.27Å; N308-D310 PolarHBondContact O-N 3.4Å; N308-Y311 PolarHBondContact O-N 3.26Å; N308-I312 HydrophobicContact CB-CB 4.43Å; N308-I312 HydrophobicContact CB-CD1 3.97Å; N308-I312 HydrophobicContact CB-CG1 4.21Å; N308-I312 PolarHBondContact O-N 2.67Å
309E87.7Confident90.8Very high107 Ų10738 Ų3850%0.519%0.194SC..THydrogen-bonded Turntrans-54.8-39.9-173.6-175.7175.7-174.800112.5Y305 Y311Y305-E309 HydrophobicContact CE1-CG 4.18Å; Y305-E309 WeakPolarHBondContact O-CA 3.42Å; Y305-E309 PolarHBondContact O-N 2.99Å; E309-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 VanDerWaalsContact O-N 3.14Å
310D87.6Confident91.2Very high133 Ų13336.9 Ų36.971%0.71119%0.189SC*.THydrogen-bonded Turntrans-63.7-20.6178.3-63.3-33.5000113.8N277 N308N277-D310 PolarHBondContact ND2-O 3.18Å; N277-D310 VanDerWaalsContact ND2-O 3.11Å; N308-D310 VanDerWaalsContact C-N 3.27Å; N308-D310 PolarHBondContact O-N 3.4Å
311Y89.4Confident91.6Very high90 Ų9038 Ų3835%0.35319%0.192SC..THydrogen-bonded Turntrans-114.8-26.5-169.6-60.4-88.1000113.4Q276 N277 N308 E309Q276-Y311 CarbonylContact C-O 3.56Å; Q276-Y311 VanDerWaalsContact CA-O 3.29Å; Q276-Y311 WeakPolarHBondContact CA-O 3.39Å; N277-Y311 PolarHBondContact N-O 3.44Å; N308-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 PolarHBondContact O-N 3.26Å; E309-Y311 VanDerWaalsContact O-N 3.14Å
312I91.5Very high91.7Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-123.4127.9-169.4-70.1-169.3000108.3F274 K275 Q276 F282 F304 Y305 N308F274-I312 HydrophobicContact CB-CG2 3.25Å; F274-I312 HydrophobicContact CD1-CG2 3.25Å; F274-I312 HydrophobicContact CD2-CG2 4.22Å; F274-I312 HydrophobicContact CE1-CG2 4.07Å; F274-I312 HydrophobicContact CG-CG2 3.33Å; K275-I312 WeakPolarHBondContact O-CA 3.4Å; Q276-I312 HydrophobicContact CG-CG1 4.4Å; F282-I312 HydrophobicContact CD1-CD1 4.47Å; F282-I312 HydrophobicContact CE1-CD1 3.34Å; F282-I312 HydrophobicContact CE1-CG1 4.27Å; F282-I312 HydrophobicContact CZ-CD1 3.59Å; F282-I312 HydrophobicContact CZ-CG1 4.31Å; F304-I312 HydrophobicContact CE1-CD1 3.98Å; F304-I312 HydrophobicContact CZ-CD1 4Å; Y305-I312 WeakPolarHBondContact CE2-O 3.33Å; N308-I312 HydrophobicContact CB-CB 4.43Å; N308-I312 HydrophobicContact CB-CD1 3.97Å; N308-I312 HydrophobicContact CB-CG1 4.21Å; N308-I312 PolarHBondContact O-N 2.67Å
313T93.3Very high91.9Very high27 Ų2742 Ų4217%0.16621%0.21CC..EExtended strand (participates in β ladder)trans-125.9128.9175-52.10000110.4F96 F274 K275 A315F96-T313 HydrophobicContact CD1-CG2 4.47Å; F96-T313 HydrophobicContact CD2-CG2 4.02Å; F96-T313 HydrophobicContact CE1-CG2 4.17Å; F96-T313 HydrophobicContact CE2-CG2 3.69Å; F96-T313 HydrophobicContact CG-CG2 4.39Å; F96-T313 HydrophobicContact CZ-CG2 3.76Å; F274-T313 CarbonylContact C-O 3.53Å; F274-T313 WeakPolarHBondContact CA-O 3.44Å; K275-T313 PolarHBondContact N-O 2.94Å; K275-T313 PolarHBondContact O-N 3.1Å; T313-A315 PolarHBondContact O-N 3.02Å
314P94.5Very high92.1Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-67.2132.2179.926.5-33.4000110.4I94 F165 F274 Y305I94-P314 HydrophobicContact CD1-CG 4.03Å; I94-P314 HydrophobicContact CG1-CG 3.88Å; F165-P314 HydrophobicContact CB-CG 4.12Å; F165-P314 HydrophobicContact CD1-CB 3.86Å; F165-P314 HydrophobicContact CD1-CG 3.99Å; F165-P314 HydrophobicContact CD2-CB 3.96Å; F165-P314 HydrophobicContact CD2-CG 4.42Å; F165-P314 HydrophobicContact CE1-CB 3.94Å; F165-P314 HydrophobicContact CE2-CB 4.04Å; F165-P314 HydrophobicContact CG-CB 3.88Å; F165-P314 HydrophobicContact CG-CG 3.94Å; F165-P314 HydrophobicContact CZ-CB 4.04Å; F274-P314 VanDerWaalsContact CD1-CA 3.49Å; F274-P314 HydrophobicContact CD1-CB 3.8Å; F274-P314 HydrophobicContact CE1-CB 3.78Å; F274-P314 HydrophobicContact CE1-CG 4.42Å; Y305-P314 HydrophobicContact CE2-CG 4.47Å
315A92.6Very high92.3Very high0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-129.7-37.5-169.500000113.3F96 P167 V168 V169 W215 L273 K275 T313F96-A315 HydrophobicContact CD2-CB 4.08Å; F96-A315 HydrophobicContact CE2-CB 3.86Å; P167-A315 CarbonylContact C-O 3.45Å; P167-A315 VanDerWaalsContact CA-O 3.25Å; P167-A315 WeakPolarHBondContact CA-O 3.29Å; V168-A315 PolarHBondContact N-O 3.42Å; V169-A315 HydrophobicContact CB-CB 4.39Å; V169-A315 HydrophobicContact CG2-CB 3.95Å; V169-A315 PolarHBondContact N-O 3.33Å; W215-A315 HydrophobicContact CH2-CB 4.41Å; W215-A315 HydrophobicContact CZ3-CB 3.65Å; L273-A315 PolarHBondContact O-N 3.15Å; K275-A315 HydrophobicContact CB-CB 4.37Å; T313-A315 PolarHBondContact O-N 3.02Å
316G92.2Very high92.3Very high0 Ų047.4 Ų47.40%023%0.234CC..EExtended strand (participates in β ladder)trans-134.5152.8-177.600000111.6V169 L273V169-G316 WeakPolarHBondContact O-CA 3.43Å; L273-G316 PolarHBondContact N-O 2.98Å; L273-G316 PolarHBondContact O-N 3.18Å
317L94.2Very high92.4Very high3 Ų343.2 Ų43.22%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-144.1133.1-178.7-176.869.1000108.7A149 I154 F165 P167 F190 V270 L271 V272 F319A149-L317 HydrophobicContact CB-CD2 3.65Å; I154-L317 HydrophobicContact CG2-CD1 4.37Å; F165-L317 HydrophobicContact CE2-CB 4.2Å; F165-L317 HydrophobicContact CZ-CB 4.03Å; F165-L317 HydrophobicContact CZ-CD1 4.3Å; P167-L317 HydrophobicContact CB-CB 4.04Å; F190-L317 WeakPolarHBondContact CE1-O 3.36Å; V270-L317 HydrophobicContact CG1-CD1 3.42Å; V270-L317 VanDerWaalsContact CG1-CD1 3.42Å; L271-L317 WeakPolarHBondContact O-CA 3.46Å; V272-L317 HydrophobicContact CG2-CD1 4.06Å; L317-F319 HydrophobicContact CG-CD1 4.41Å
318A93.9Very high92.4Very high0 Ų039.9 Ų39.90%019%0.188CC..EExtended strand (participates in β ladder)trans-142.8148.7166.800000108.4L171 V188 L271L171-A318 HydrophobicContact CB-CB 4.46Å; L171-A318 HydrophobicContact CD2-CB 3.9Å; L171-A318 HydrophobicContact CG-CB 4.21Å; V188-A318 HydrophobicContact CG1-CB 4.37Å; L271-A318 WeakPolarHBondContact CA-O 3.45Å; L271-A318 HydrophobicContact CB-CB 4.36Å; L271-A318 WeakPolarHBondContact CB-O 3.46Å; L271-A318 PolarHBondContact N-O 2.88Å; L271-A318 PolarHBondContact O-N 3.19Å
319F95.2Very high92.5Very high1 Ų140.6 Ų40.60%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-157.9153.617963.4-86.7000112I148 F152 I154 Y189 F190 G191 F269 V270 L317I148-F319 HydrophobicContact CG2-CZ 3.83Å; F152-F319 HydrophobicContact CB-CE2 4.18Å; F152-F319 HydrophobicContact CB-CZ 4.36Å; F152-F319 AromaticContact CD1-CE2 3.9Å; F152-F319 HydrophobicContact CD1-CE2 3.9Å; F152-F319 AromaticContact CD2-CE2 3.65Å; F152-F319 HydrophobicContact CD2-CE2 3.65Å; F152-F319 AromaticContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CD2-CZ 3.75Å; F152-F319 HydrophobicContact CE1-CE2 4.14Å; F152-F319 AromaticContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CE2 3.91Å; F152-F319 HydrophobicContact CE2-CZ 4.16Å; F152-F319 AromaticContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CE2 3.64Å; F152-F319 HydrophobicContact CG-CZ 4.05Å; F152-F319 HydrophobicContact CZ-CE2 4.14Å; I154-F319 HydrophobicContact CD1-CB 4.17Å; I154-F319 HydrophobicContact CD1-CD1 3.26Å; I154-F319 HydrophobicContact CD1-CD2 3.7Å; I154-F319 HydrophobicContact CD1-CE1 3.37Å; I154-F319 HydrophobicContact CD1-CE2 3.8Å; I154-F319 HydrophobicContact CD1-CG 3.43Å; I154-F319 VanDerWaalsContact CD1-CG 3.43Å; I154-F319 HydrophobicContact CD1-CZ 3.63Å; Y189-F319 CarbonylContact C-O 3.54Å; Y189-F319 PolarHBondContact O-N 3.25Å; F190-F319 VanDerWaalsContact C-CE2 3.43Å; F190-F319 HydrophobicContact CB-CE1 3.94Å; F190-F319 HydrophobicContact CB-CZ 3.95Å; F190-F319 HydrophobicContact CD1-CD1 4.46Å; F190-F319 HydrophobicContact CD1-CE1 4.21Å; G191-F319 PolarHBondContact N-O 3.44Å; F269-F319 CarbonylContact O-C 3.53Å; F269-F319 WeakPolarHBondContact O-CA 3.08Å; F269-F319 WeakPolarHBondContact O-CB 3.4Å; V270-F319 HydrophobicContact CB-CB 4.3Å; V270-F319 HydrophobicContact CG1-CB 4.32Å; V270-F319 HydrophobicContact CG2-CB 4.04Å; L317-F319 HydrophobicContact CG-CD1 4.41Å
320F95.5Very high92.7Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-137.2168.4178.257.7-81.2000110.3F175 V188 N192 I194 M219 P258 F269 C322F175-F320 HydrophobicContact CE2-CD1 4.33Å; F175-F320 AromaticContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE1 3.83Å; F175-F320 HydrophobicContact CE2-CE2 4.26Å; F175-F320 AromaticContact CE2-CZ 3.78Å; F175-F320 HydrophobicContact CE2-CZ 3.78Å; F175-F320 AromaticContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE1 3.85Å; F175-F320 HydrophobicContact CZ-CE2 4.37Å; F175-F320 AromaticContact CZ-CZ 3.6Å; F175-F320 HydrophobicContact CZ-CZ 3.6Å; V188-F320 HydrophobicContact CG1-CB 4.14Å; V188-F320 HydrophobicContact CG1-CD1 3.72Å; V188-F320 HydrophobicContact CG1-CG 4.35Å; V188-F320 HydrophobicContact CG2-CD1 4.2Å; N192-F320 WeakPolarHBondContact O-CA 3.43Å; N192-F320 WeakPolarHBondContact O-CB 3.29Å; I194-F320 HydrophobicContact CB-CD2 3.8Å; I194-F320 HydrophobicContact CB-CE2 4.32Å; I194-F320 HydrophobicContact CB-CG 4.47Å; I194-F320 HydrophobicContact CD1-CB 3.77Å; I194-F320 HydrophobicContact CD1-CD1 4.38Å; I194-F320 HydrophobicContact CD1-CD2 3.96Å; I194-F320 HydrophobicContact CD1-CG 3.8Å; I194-F320 HydrophobicContact CG1-CB 4.09Å; I194-F320 HydrophobicContact CG1-CD2 4.14Å; I194-F320 HydrophobicContact CG1-CG 4.31Å; M219-F320 HydrophobicContact CE-CE1 3.92Å; M219-F320 HydrophobicContact CE-CZ 3.57Å; P258-F320 HydrophobicContact CG-CE2 4.03Å; P258-F320 HydrophobicContact CG-CZ 4.11Å; F269-F320 HydrophobicContact CB-CD1 4.09Å; F269-F320 HydrophobicContact CB-CD2 4.17Å; F269-F320 HydrophobicContact CB-CE1 3.69Å; F269-F320 HydrophobicContact CB-CE2 3.8Å; F269-F320 HydrophobicContact CB-CG 4.32Å; F269-F320 HydrophobicContact CB-CZ 3.54Å; F269-F320 HydrophobicContact CD2-CD2 4.44Å; F269-F320 HydrophobicContact CD2-CE2 4.07Å; F269-F320 HydrophobicContact CG-CE2 4.01Å; F269-F320 HydrophobicContact CG-CZ 4.01Å; F269-F320 PolarHBondContact N-O 3.2Å; F269-F320 PolarHBondContact O-N 2.9Å; F320-C322 VanDerWaalsContact CD2-SG 3.54Å; F320-C322 WeakPolarHBondContact CE2-SG 3.16Å
321Q95.7Very high92.8Very high45 Ų4532.6 Ų32.621%0.2116%0.158CC..EExtended strand (participates in β ladder)trans-107.3144.2173.2-64-173.3-49.100110F152 N192 L193 I194 H267F152-Q321 HydrophobicContact CE1-CG 4.31Å; N192-Q321 PolarHBondContact O-N 2.82Å; L193-Q321 WeakPolarHBondContact CA-O 3.46Å; L193-Q321 HydrophobicContact CD1-CB 4.36Å; I194-Q321 PolarHBondContact N-O 3.33Å; H267-Q321 CarbonylContact O-C 3.58Å; H267-Q321 VanDerWaalsContact O-CA 3.25Å; H267-Q321 WeakPolarHBondContact O-CA 3.38Å
322C94.6Very high92.8Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-125.2146.4168.3-61.80000111.7I194 P196 P258 P260 L266 H267 F269 F320I194-C322 WeakPolarHBondContact O-CA 3.34Å; I194-C322 PolarHBondContact O-SG 3.2Å; P196-C322 HydrophobicContact CG-CB 4.39Å; P258-C322 HydrophobicContact CB-CB 4.44Å; P260-C322 HydrophobicContact CG-CB 4.08Å; L266-C322 WeakPolarHBondContact CA-O 3.14Å; H267-C322 PolarHBondContact N-O 3.2Å; H267-C322 PolarHBondContact O-N 3.43Å; F269-C322 HydrophobicContact CD2-CB 4.06Å; F269-C322 HydrophobicContact CE2-CB 3.66Å; F320-C322 VanDerWaalsContact CD2-SG 3.54Å; F320-C322 WeakPolarHBondContact CE2-SG 3.16Å
323E94Very high92.7Very high115 Ų11537.7 Ų37.754%0.53718%0.176SC..  trans-106.4158165.8-166175.4177.600109.9P196 P260 L266P196-E323 WeakPolarHBondContact CD-O 3.34Å; P196-E323 WeakPolarHBondContact CG-O 3.36Å; P260-E323 VanDerWaalsContact CG-C 3.42Å; P260-E323 VanDerWaalsContact CG-O 3.29Å; P260-E323 WeakPolarHBondContact CG-O 3.23Å; L266-E323 HydrophobicContact CD2-CB 3.81Å; L266-E323 HydrophobicContact CD2-CG 4.34Å
324W94.2Very high92.5Very high71 Ų7143.6 Ų43.627%0.26920%0.202SC..  trans-56.2136170.6177.488.6000112.6R262 E340R262-W324 HydrophobicContact CB-CD2 4.28Å; R262-W324 HydrophobicContact CB-CG 4.09Å; R262-W324 HydrophobicContact CG-CD2 3.92Å; R262-W324 HydrophobicContact CG-CE3 4.4Å; R262-W324 HydrophobicContact CG-CG 4.16Å; R262-W324 HydrophobicContact CG-CZ2 4.27Å; W324-E340 PolarHBondContact NE1-OE1 3.31Å
325D92.7Very high92Very high48 Ų4848.2 Ų48.226%0.25722%0.222SC..  trans-138.6166.7172.3-169.813.6000110.2P196 T197 S327 C328P196-D325 HydrophobicContact CG-CB 4.31Å; T197-D325 WeakPolarHBondContact CB-OD2 3.34Å; T197-D325 PolarHBondContact OG1-OD2 2.9Å; D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.11Å; D325-C328 VanDerWaalsContact O-CB 3.28Å; D325-C328 WeakPolarHBondContact O-CB 3.4Å; D325-C328 PolarHBondContact O-N 3.5Å
326K91.5Very high91.6Very high162 Ų16249.1 Ų49.170%0.70423%0.227SC*.Hα-helixtrans-56.6-28.8-178.6-62.4176.2-176.11720113.1C328 S329 V330K326-C328 PolarHBondContact O-N 3.28Å; K326-S329 WeakPolarHBondContact O-CB 3.39Å; K326-S329 PolarHBondContact O-N 3.24Å; K326-V330 PolarHBondContact O-N 3.34Å
327S91.1Very high91.4Very high23 Ų2356.3 Ų56.316%0.16127%0.265CS..Hα-helixtrans-63.6-28.5176.651.20000112.8T197 D325 V330 C331T197-S327 PolarHBondContact N-OG 3.12Å; T197-S327 VanDerWaalsContact OG1-CB 3.3Å; T197-S327 WeakPolarHBondContact OG1-CB 3.43Å; T197-S327 PolarHBondContact OG1-OG 3.48Å; D325-S327 PolarHBondContact O-N 2.86Å; D325-S327 VanDerWaalsContact O-N 3.11Å; S327-V330 PolarHBondContact O-N 3.37Å; S327-C331 PolarHBondContact O-N 3.31Å
328C91Very high91Very high0 Ų058.7 Ų58.70%028%0.277CS..Hα-helixtrans-62.9-46.5173.4-60.20000110.8P196 L259 D325 K326 V330 C331 F332P196-C328 VanDerWaalsContact CG-SG 3.58Å; L259-C328 HydrophobicContact CD2-CB 4.24Å; D325-C328 VanDerWaalsContact O-CB 3.28Å; D325-C328 WeakPolarHBondContact O-CB 3.4Å; D325-C328 PolarHBondContact O-N 3.5Å; K326-C328 PolarHBondContact O-N 3.28Å; C328-V330 VanDerWaalsContact C-N 3.25Å; C328-V330 PolarHBondContact O-N 3.38Å; C328-C331 WeakPolarHBondContact O-CB 3.11Å; C328-C331 PolarHBondContact O-N 2.95Å; C328-C331 VanDerWaalsContact O-N 3.11Å; C328-F332 HydrophobicContact CB-CE2 4.47Å; C328-F332 WeakPolarHBondContact O-CD2 3.17Å; C328-F332 PolarHBondContact O-N 3.44Å
329S91Very high90.7Very high28 Ų2867.9 Ų67.920%0.19632%0.317CS..Hα-helixtrans-59-37.1177.2-57.50000112.5K326 R333 E340K326-S329 WeakPolarHBondContact O-CB 3.39Å; K326-S329 PolarHBondContact O-N 3.24Å; S329-R333 VanDerWaalsContact O-CG 3.26Å; S329-R333 WeakPolarHBondContact O-CG 3.31Å; S329-R333 PolarHBondContact O-N 3.48Å; S329-E340 WeakPolarHBondContact CA-OE2 3.38Å; S329-E340 WeakPolarHBondContact CB-OE2 3.5Å; S329-E340 PolarHBondContact OG-OE2 3.42Å
330V91.4Very high90.4Very high69 Ų6970 Ų7042%0.41833%0.327SS..Hα-helixtrans-66.2-47.41751790000110.3K326 S327 C328 F332 R333 E334K326-V330 PolarHBondContact O-N 3.34Å; S327-V330 PolarHBondContact O-N 3.37Å; C328-V330 VanDerWaalsContact C-N 3.25Å; C328-V330 PolarHBondContact O-N 3.38Å; V330-F332 PolarHBondContact O-N 2.88Å; V330-R333 PolarHBondContact O-N 3.02Å; V330-R333 VanDerWaalsContact O-N 3.15Å; V330-E334 VanDerWaalsContact CG1-CD 3.45Å; V330-E334 HydrophobicContact CG1-CG 4.13Å; V330-E334 WeakPolarHBondContact CG1-OE2 3Å; V330-E334 WeakPolarHBondContact O-CB 2.77Å; V330-E334 PolarHBondContact O-N 3.46Å
331C88.6Confident90.1Very high3 Ų371.5 Ų71.52%0.0234%0.337CS..Hα-helixtrans-61.3-40.5178.6-174.10000113.2Q257 L259 S327 C328 R333 K335 L336Q257-C331 VanDerWaalsContact CD-SG 3.59Å; Q257-C331 HydrophobicContact CG-CB 4.38Å; L259-C331 HydrophobicContact CD2-CB 3.6Å; S327-C331 PolarHBondContact O-N 3.31Å; C328-C331 WeakPolarHBondContact O-CB 3.11Å; C328-C331 PolarHBondContact O-N 2.95Å; C328-C331 VanDerWaalsContact O-N 3.11Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 3.34Å; C331-K335 WeakPolarHBondContact O-CB 3.23Å; C331-K335 PolarHBondContact O-N 3.2Å; C331-L336 PolarHBondContact O-N 2.97Å
332F89.3Confident89.8Confident0 Ų075.8 Ų75.80%036%0.355CS..Hα-helixtrans-59.8-39.7175.3-83.9-67.6000112.4L259 L261 L294 C328 V330 L336 D337 M338 E340L259-F332 HydrophobicContact CB-CZ 4.39Å; L261-F332 HydrophobicContact CD2-CE1 4.41Å; L261-F332 HydrophobicContact CD2-CE2 4.2Å; L261-F332 HydrophobicContact CD2-CZ 3.52Å; L294-F332 HydrophobicContact CD1-CE1 3.92Å; C328-F332 HydrophobicContact CB-CE2 4.47Å; C328-F332 WeakPolarHBondContact O-CD2 3.17Å; C328-F332 PolarHBondContact O-N 3.44Å; V330-F332 PolarHBondContact O-N 2.88Å; F332-L336 HydrophobicContact CD1-CD1 3.58Å; F332-L336 HydrophobicContact CE1-CD1 3.68Å; F332-L336 HydrophobicContact CG-CD1 4.41Å; F332-D337 PolarHBondContact O-N 3.32Å; F332-M338 HydrophobicContact CD1-CG 3.67Å; F332-M338 HydrophobicContact CD1-SD 3.8Å; F332-M338 HydrophobicContact CE1-CE 4.48Å; F332-M338 HydrophobicContact CE1-CG 4.39Å; F332-M338 HydrophobicContact CE1-SD 3.93Å; F332-M338 PolarHBondContact O-N 2.84Å; F332-M338 VanDerWaalsContact O-N 3.07Å; F332-E340 HydrophobicContact CB-CB 4.24Å; F332-E340 HydrophobicContact CD2-CB 4.12Å; F332-E340 HydrophobicContact CD2-CG 3.8Å; F332-E340 HydrophobicContact CE2-CG 4.19Å; F332-E340 HydrophobicContact CG-CB 4.18Å; F332-E340 HydrophobicContact CG-CG 4.34Å
333R89.5Confident89.7Confident196 Ų19679.9 Ų79.974%0.7437%0.373SS*.Hα-helixtrans-78.3-41.6-178.6-68.217768.5-176.40113.1S329 V330 C331S329-R333 VanDerWaalsContact O-CG 3.26Å; S329-R333 WeakPolarHBondContact O-CG 3.31Å; S329-R333 PolarHBondContact O-N 3.48Å; V330-R333 PolarHBondContact O-N 3.02Å; V330-R333 VanDerWaalsContact O-N 3.15Å; C331-R333 VanDerWaalsContact C-N 3.28Å; C331-R333 PolarHBondContact O-N 3.34Å
334E88.9Confident89.5Confident152 Ų15278 Ų7871%0.7138%0.377SS*.Hα-helixtrans-91.6-46.5-172-67.1-177.8175.500113V330V330-E334 VanDerWaalsContact CG1-CD 3.45Å; V330-E334 HydrophobicContact CG1-CG 4.13Å; V330-E334 WeakPolarHBondContact CG1-OE2 3Å; V330-E334 WeakPolarHBondContact O-CB 2.77Å; V330-E334 PolarHBondContact O-N 3.46Å
335K85.4Confident89.3Confident96 Ų9682.2 Ų82.242%0.41739%0.394SS..THydrogen-bonded Turntrans-90.2-39.9-174.4-63-171.6-174.3162.30112.6I292 C331I292-K335 VanDerWaalsContact CG2-O 3.27Å; I292-K335 WeakPolarHBondContact CG2-O 2.9Å; C331-K335 WeakPolarHBondContact O-CB 3.23Å; C331-K335 PolarHBondContact O-N 3.2Å
336L84.1Confident89.2Confident20 Ų2086.9 Ų86.911%0.10542%0.419CS..SBendtrans-98.1-10.7-173-60.7176.9000114L259 I292 L294 C331 F332 M338L259-L336 HydrophobicContact CD1-CD1 3.61Å; I292-L336 WeakPolarHBondContact O-CD2 3.15Å; L294-L336 HydrophobicContact CD1-CD1 3.8Å; L294-L336 HydrophobicContact CD2-CD1 3.89Å; L294-L336 HydrophobicContact CD2-CD2 4.12Å; L294-L336 HydrophobicContact CG-CD1 3.77Å; L294-L336 HydrophobicContact CG-CD2 4.1Å; C331-L336 PolarHBondContact O-N 2.97Å; F332-L336 HydrophobicContact CD1-CD1 3.58Å; F332-L336 HydrophobicContact CE1-CD1 3.68Å; F332-L336 HydrophobicContact CG-CD1 4.41Å; L336-M338 HydrophobicContact CB-CG 3.78Å; L336-M338 HydrophobicContact CB-SD 4.01Å; L336-M338 HydrophobicContact CD1-SD 4.08Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.16Å
337D86.7Confident89.2Confident151 Ų15188.2 Ų88.281%0.80742%0.42SS*.  trans44.145-175.5-166.128.8000113.3F332F332-D337 PolarHBondContact O-N 3.32Å
338M86.6Confident89.2Confident52 Ų5291.6 Ų91.626%0.25644%0.441SS..SBendtrans-134152.5-178.171-178.8-66.800111.7L294 F332 L336 E340L294-M338 HydrophobicContact CD1-CE 4.31Å; L294-M338 HydrophobicContact CD1-SD 3.68Å; L294-M338 HydrophobicContact CG-SD 4.3Å; F332-M338 HydrophobicContact CD1-CG 3.67Å; F332-M338 HydrophobicContact CD1-SD 3.8Å; F332-M338 HydrophobicContact CE1-CE 4.48Å; F332-M338 HydrophobicContact CE1-CG 4.39Å; F332-M338 HydrophobicContact CE1-SD 3.93Å; F332-M338 PolarHBondContact O-N 2.84Å; F332-M338 VanDerWaalsContact O-N 3.07Å; L336-M338 HydrophobicContact CB-CG 3.78Å; L336-M338 HydrophobicContact CB-SD 4.01Å; L336-M338 HydrophobicContact CD1-SD 4.08Å; L336-M338 PolarHBondContact O-N 3.18Å; L336-M338 VanDerWaalsContact O-N 3.16Å; M338-E340 PolarHBondContact O-N 3.36Å
339K88.7Confident89.1Confident194 Ų19497.1 Ų97.184%0.84348%0.477SS*.PPolyproline II helixtrans-71.1126.5172.7-173.2178.2178.9-1780109.2
340E88.5Confident89Confident44 Ų44101.2 Ų101.221%0.20650%0.503CS..PPolyproline II helixtrans-58.2124.4176.4-177.9-178175.800110.9W324 S329 F332 M338W324-E340 PolarHBondContact NE1-OE1 3.31Å; S329-E340 WeakPolarHBondContact CA-OE2 3.38Å; S329-E340 WeakPolarHBondContact CB-OE2 3.5Å; S329-E340 PolarHBondContact OG-OE2 3.42Å; F332-E340 HydrophobicContact CB-CB 4.24Å; F332-E340 HydrophobicContact CD2-CB 4.12Å; F332-E340 HydrophobicContact CD2-CG 3.8Å; F332-E340 HydrophobicContact CE2-CG 4.19Å; F332-E340 HydrophobicContact CG-CB 4.18Å; F332-E340 HydrophobicContact CG-CG 4.34Å; M338-E340 PolarHBondContact O-N 3.36Å
341P89.1Confident89Confident33 Ų33107 Ų10721%0.21452%0.519CS..PPolyproline II helixtrans-75.1140.9173.333.1-35.7000110.3L261 F343L261-P341 HydrophobicContact CD2-CG 3.88Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.27Å; P341-F343 HydrophobicContact CG-CE2 4.04Å
342F89.7Confident89.1Confident134 Ų134109.7 Ų109.759%0.58854%0.535SS*.BIsolated β-bridgetrans-116.6127.4177.6171.8-102.6000109.8R262 A344R262-F342 HydrophobicContact CB-CD2 4.13Å; R262-F342 HydrophobicContact CG-CD2 3.81Å; R262-F342 HydrophobicContact CG-CE2 4.15Å; F342-A344 HydrophobicContact CE1-CB 4.1Å; F342-A344 HydrophobicContact CZ-CB 4.34Å
343F91.4Very high89.1Confident87 Ų87112.6 Ų112.638%0.38255%0.554SS.*  trans-111.4145.5176.9-62.6-91.4000109.9I226 L261 R262 G263 T264 P341I226-F343 HydrophobicContact CG2-CZ 4.47Å; L261-F343 HydrophobicContact CB-CD2 4.08Å; L261-F343 HydrophobicContact CB-CE2 4.09Å; L261-F343 HydrophobicContact CD1-CD2 4.4Å; L261-F343 HydrophobicContact CD1-CE2 3.68Å; L261-F343 HydrophobicContact CD1-CZ 4.32Å; L261-F343 HydrophobicContact CG-CE2 4.44Å; R262-F343 PolarHBondContact O-N 3.22Å; G263-F343 WeakPolarHBondContact CA-O 3.28Å; T264-F343 HydrophobicContact CG2-CB 4.17Å; T264-F343 HydrophobicContact CG2-CD2 3.77Å; T264-F343 HydrophobicContact CG2-CE2 4.36Å; T264-F343 HydrophobicContact CG2-CG 3.96Å; P341-F343 HydrophobicContact CB-CE2 3.77Å; P341-F343 HydrophobicContact CB-CZ 4.27Å; P341-F343 HydrophobicContact CG-CE2 4.04Å
344A90Very high89.2Confident76 Ų76108.2 Ų108.263%0.62855%0.551SS**  trans-131.4134.617100000108.3F342 N346F342-A344 HydrophobicContact CE1-CB 4.1Å; F342-A344 HydrophobicContact CZ-CB 4.34Å; A344-N346 PolarHBondContact O-N 2.84Å; A344-N346 VanDerWaalsContact O-N 3.13Å
345Y90.3Very high89.4Confident158 Ų158106.3 Ų106.362%0.6254%0.542SS*.  trans-67.5113.9176.5-173.5-89.1000109.9W347Y345-W347 AromaticContact CD1-CD1 3.84Å; Y345-W347 AromaticContact CD1-CD2 3.73Å; Y345-W347 HydrophobicContact CD1-CD2 3.73Å; Y345-W347 AromaticContact CD1-CE2 3.52Å; Y345-W347 HydrophobicContact CD1-CE3 4.31Å; Y345-W347 AromaticContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CH2 4.46Å; Y345-W347 AromaticContact CD1-CZ2 3.93Å; Y345-W347 HydrophobicContact CD1-CZ2 3.93Å; Y345-W347 AromaticContact CD1-NE1 3.62Å; Y345-W347 HydrophobicContact CE1-CB 4.44Å; Y345-W347 AromaticContact CE1-CD2 3.36Å; Y345-W347 HydrophobicContact CE1-CD2 3.36Å; Y345-W347 AromaticContact CE1-CE2 3.54Å; Y345-W347 AromaticContact CE1-CE3 3.5Å; Y345-W347 HydrophobicContact CE1-CE3 3.5Å; Y345-W347 VanDerWaalsContact CE1-CE3 3.5Å; Y345-W347 AromaticContact CE1-CG 3.82Å; Y345-W347 HydrophobicContact CE1-CG 3.82Å; Y345-W347 AromaticContact CE1-CH2 3.92Å; Y345-W347 HydrophobicContact CE1-CH2 3.92Å; Y345-W347 AromaticContact CE1-CZ2 3.83Å; Y345-W347 HydrophobicContact CE1-CZ2 3.83Å; Y345-W347 AromaticContact CE1-CZ3 3.76Å; Y345-W347 HydrophobicContact CE1-CZ3 3.76Å
346N91.2Very high89.7Confident147 Ų147105.9 Ų105.979%0.78654%0.541SS*.  trans-89.4107175.7-169.215.6000109.6A344A344-N346 PolarHBondContact O-N 2.84Å; A344-N346 VanDerWaalsContact O-N 3.13Å
347W90.2Very high90Very high189 Ų189113.2 Ų113.272%0.71658%0.579SS**PPolyproline II helixtrans-65.6138.9175.2-68.492.4000110.2Y345Y345-W347 AromaticContact CD1-CD1 3.84Å; Y345-W347 AromaticContact CD1-CD2 3.73Å; Y345-W347 HydrophobicContact CD1-CD2 3.73Å; Y345-W347 AromaticContact CD1-CE2 3.52Å; Y345-W347 HydrophobicContact CD1-CE3 4.31Å; Y345-W347 AromaticContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CG 3.91Å; Y345-W347 HydrophobicContact CD1-CH2 4.46Å; Y345-W347 AromaticContact CD1-CZ2 3.93Å; Y345-W347 HydrophobicContact CD1-CZ2 3.93Å; Y345-W347 AromaticContact CD1-NE1 3.62Å; Y345-W347 HydrophobicContact CE1-CB 4.44Å; Y345-W347 AromaticContact CE1-CD2 3.36Å; Y345-W347 HydrophobicContact CE1-CD2 3.36Å; Y345-W347 AromaticContact CE1-CE2 3.54Å; Y345-W347 AromaticContact CE1-CE3 3.5Å; Y345-W347 HydrophobicContact CE1-CE3 3.5Å; Y345-W347 VanDerWaalsContact CE1-CE3 3.5Å; Y345-W347 AromaticContact CE1-CG 3.82Å; Y345-W347 HydrophobicContact CE1-CG 3.82Å; Y345-W347 AromaticContact CE1-CH2 3.92Å; Y345-W347 HydrophobicContact CE1-CH2 3.92Å; Y345-W347 AromaticContact CE1-CZ2 3.83Å; Y345-W347 HydrophobicContact CE1-CZ2 3.83Å; Y345-W347 AromaticContact CE1-CZ3 3.76Å; Y345-W347 HydrophobicContact CE1-CZ3 3.76Å
348P92.6Very high90.1Very high95 Ų95112.7 Ų112.762%0.61757%0.574SS**PPolyproline II helixtrans-57.1138.7170.525.2-33000109
349P88.9Confident90.2Very high116 Ų116112 Ų11275%0.75357%0.574SS**PPolyproline II helixtrans-59.1143.8-178.825-33.8000110Y351P349-Y351 PolarHBondContact O-N 3.37Å
350P88.5Confident90.1Very high113 Ų113109.8 Ų109.873%0.73457%0.571SS**PPolyproline II helixtrans-59.7136.2178.625.9-33.8000109.8V352P350-V352 PolarHBondContact O-N 3.37Å
351Y91.8Very high90.1Very high191 Ų191114.3 Ų114.375%0.74959%0.593SS**PPolyproline II helixtrans-61.9124.8175173.9-103.4000110.2P349 P353P349-Y351 PolarHBondContact O-N 3.37Å; Y351-P353 HydrophobicContact CE1-CB 4.05Å
352V89.5Confident90.1Very high59 Ų59119 Ų11936%0.35862%0.623SS.*  trans-111.8118.6173.2-173.70000107.5P350 K371 Y372P350-V352 PolarHBondContact O-N 3.37Å; V352-K371 HydrophobicContact CG1-CB 4.19Å; V352-Y372 HydrophobicContact CG1-CD1 4.01Å; V352-Y372 HydrophobicContact CG1-CE1 3.34Å
353P90Very high90.1Very high62 Ų62116.7 Ų116.740%0.40361%0.614SS.*PPolyproline II helixtrans-63.2154.1177.227.4-33.6000110.2Y351 Q355 Y372Y351-P353 HydrophobicContact CE1-CB 4.05Å; P353-Q355 PolarHBondContact O-N 3.41Å; P353-Y372 WeakPolarHBondContact O-CE1 3.22Å; P353-Y372 VanDerWaalsContact O-CZ 3.29Å; P353-Y372 PolarHBondContact O-OH 2.92Å
354P92Very high90.1Very high104 Ų104115.7 Ų115.768%0.67562%0.616SS**PPolyproline II helixtrans-56.2137.7177.724.7-34.1000110.8Q356P354-Q356 PolarHBondContact O-N 2.85Å
355Q92.9Very high90Very high111 Ų111117.3 Ų117.352%0.51961%0.609SS.*PPolyproline II helixtrans-63.7125.4-176.1-165.9174.613.300110.8P353 Y368 Y372P353-Q355 PolarHBondContact O-N 3.41Å; Q355-Y368 HydrophobicContact CG-CE1 4.31Å; Q355-Y372 HydrophobicContact CB-CD1 3.65Å; Q355-Y372 HydrophobicContact CB-CD2 4.12Å; Q355-Y372 HydrophobicContact CB-CE1 3.61Å; Q355-Y372 HydrophobicContact CB-CE2 4.13Å; Q355-Y372 HydrophobicContact CB-CG 3.89Å; Q355-Y372 HydrophobicContact CG-CD1 4.08Å; Q355-Y372 HydrophobicContact CG-CD2 3.63Å; Q355-Y372 HydrophobicContact CG-CE1 4.21Å; Q355-Y372 HydrophobicContact CG-CE2 3.83Å; Q355-Y372 HydrophobicContact CG-CG 3.77Å
356Q91.1Very high89.9Confident87 Ų87110.5 Ų110.541%0.40758%0.583SS.*PPolyproline II helixtrans-94.2144.6171.2-62.4-178.2-9.200110.3P354 I358 Y368P354-Q356 PolarHBondContact O-N 2.85Å; Q356-I358 VanDerWaalsContact C-N 3.32Å; Q356-Y368 PolarHBondContact N-OH 2.87Å; Q356-Y368 PolarHBondContact O-OH 3.28Å
357I90.6Very high89.7Confident175 Ų175107.5 Ų107.590%0.89757%0.567SS**SBendtrans-63.7-42.2175.4-58.6174.1000110.2
358I88.7Confident89.7Confident139 Ų13999.7 Ų99.771%0.71354%0.538SS*.SBendtrans-131108173.6-57.6175.6000106.2Q356 D360Q356-I358 VanDerWaalsContact C-N 3.32Å; I358-D360 PolarHBondContact O-N 3.29Å
359P88.6Confident89.6Confident38 Ų3899.4 Ų99.425%0.24753%0.531CS..  trans-56135.3175.6-28.237.2000112E361 Q363 Y368P359-E361 WeakPolarHBondContact CB-O 3.22Å; P359-E361 PolarHBondContact O-N 2.97Å; P359-Q363 HydrophobicContact CB-CG 4.31Å; P359-Y368 HydrophobicContact CG-CD1 4.26Å; P359-Y368 HydrophobicContact CG-CD2 4.18Å; P359-Y368 HydrophobicContact CG-CE1 3.79Å; P359-Y368 HydrophobicContact CG-CE2 3.71Å; P359-Y368 HydrophobicContact CG-CG 4.44Å; P359-Y368 VanDerWaalsContact CG-CZ 3.5Å
360D87.3Confident89.5Confident148 Ų14895.5 Ų95.579%0.79150%0.503SS*.SBendtrans-61-36.2176.3-73.3-41.3000112.1I358I358-D360 PolarHBondContact O-N 3.29Å
361E88.5Confident89.5Confident139 Ų13995.4 Ų95.465%0.6549%0.491SS*.SBendtrans-101.9141.2174.5-65.5-175.917200111P359 Q363P359-E361 WeakPolarHBondContact CB-O 3.22Å; P359-E361 PolarHBondContact O-N 2.97Å; E361-Q363 PolarHBondContact O-N 2.96Å
362P89.1Confident89.5Confident132 Ų13288.9 Ų88.986%0.85747%0.466SS*.  trans-65.3107179.126.9-33.5000111
363Q89.1Confident89.5Confident85 Ų8590.2 Ų90.240%0.39746%0.464SS..  trans-101.4145.8176-64.7-67.4-39.400110.9P359 E361 F365 Y368P359-Q363 HydrophobicContact CB-CG 4.31Å; E361-Q363 PolarHBondContact O-N 2.96Å; Q363-F365 PolarHBondContact O-N 3.14Å; Q363-Y368 HydrophobicContact CB-CD2 4.16Å; Q363-Y368 HydrophobicContact CB-CG 4.33Å; Q363-Y368 HydrophobicContact CG-CD2 4.29Å
364P90.4Very high89.5Confident65 Ų6590.5 Ų90.542%0.42247%0.466SS..  trans-63.7122172.824.5-30.9000110.2N366 L367 Y368P364-N366 VanDerWaalsContact C-N 3.3Å; P364-N366 PolarHBondContact O-N 3.46Å; P364-L367 HydrophobicContact CG-CB 4.09Å; P364-L367 HydrophobicContact CG-CD1 3.83Å; P364-L367 HydrophobicContact CG-CG 4.18Å; P364-L367 PolarHBondContact O-N 3.27Å; P364-Y368 WeakPolarHBondContact O-CB 3.31Å; P364-Y368 PolarHBondContact O-N 3.06Å
365F89.3Confident89.4Confident110 Ų11091.5 Ų91.548%0.48247%0.465SS..Hα-helixtrans-56.6-40.8-169.176.1-85.9000113.2Q363 Y368 L369 W417Q363-F365 PolarHBondContact O-N 3.14Å; F365-Y368 PolarHBondContact O-N 2.9Å; F365-L369 WeakPolarHBondContact O-CB 3.37Å; F365-L369 VanDerWaalsContact O-CG 3.26Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.03Å; F365-W417 AromaticContact CE1-CD1 3.94Å; F365-W417 HydrophobicContact CE1-CD2 4.16Å; F365-W417 HydrophobicContact CE1-CG 4.02Å; F365-W417 AromaticContact CZ-CD2 3.64Å; F365-W417 HydrophobicContact CZ-CD2 3.64Å; F365-W417 AromaticContact CZ-CE2 3.65Å; F365-W417 HydrophobicContact CZ-CE3 4.01Å; F365-W417 AromaticContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CH2 4.39Å; F365-W417 HydrophobicContact CZ-CZ2 4.05Å; F365-W417 HydrophobicContact CZ-CZ3 4.37Å; F365-W417 AromaticContact CZ-NE1 3.94Å
366N87.1Confident89.3Confident15 Ų1592 Ų928%0.0847%0.471CS..Hα-helixtrans-68.3-45.2-176.466-37000111.5P364 D370 E421P364-N366 VanDerWaalsContact C-N 3.3Å; P364-N366 PolarHBondContact O-N 3.46Å; N366-D370 WeakPolarHBondContact O-CB 3.28Å; N366-D370 PolarHBondContact O-N 3.04Å; N366-E421 PolarHBondContact ND2-OE1 3.1Å; N366-E421 VanDerWaalsContact ND2-OE1 3.17Å
367L87.2Confident89.4Confident84 Ų8492.4 Ų92.444%0.4448%0.477SS..Hα-helixtrans-70.2-35.2176-56.9-179.2000111.9P364 K371P364-L367 HydrophobicContact CG-CB 4.09Å; P364-L367 HydrophobicContact CG-CD1 3.83Å; P364-L367 HydrophobicContact CG-CG 4.18Å; P364-L367 PolarHBondContact O-N 3.27Å; L367-K371 VanDerWaalsContact O-CG 3.26Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3.34Å
368Y91.1Very high89.3Confident26 Ų2685.2 Ų85.210%0.10244%0.44CS..Hα-helixtrans-66.8-51.1179.1179.7-102.4000111.3Q355 Q356 P359 Q363 P364 F365 D370 K371 Y372Q355-Y368 HydrophobicContact CG-CE1 4.31Å; Q356-Y368 PolarHBondContact N-OH 2.87Å; Q356-Y368 PolarHBondContact O-OH 3.28Å; P359-Y368 HydrophobicContact CG-CD1 4.26Å; P359-Y368 HydrophobicContact CG-CD2 4.18Å; P359-Y368 HydrophobicContact CG-CE1 3.79Å; P359-Y368 HydrophobicContact CG-CE2 3.71Å; P359-Y368 HydrophobicContact CG-CG 4.44Å; P359-Y368 VanDerWaalsContact CG-CZ 3.5Å; Q363-Y368 HydrophobicContact CB-CD2 4.16Å; Q363-Y368 HydrophobicContact CB-CG 4.33Å; Q363-Y368 HydrophobicContact CG-CD2 4.29Å; P364-Y368 WeakPolarHBondContact O-CB 3.31Å; P364-Y368 PolarHBondContact O-N 3.06Å; F365-Y368 PolarHBondContact O-N 2.9Å; Y368-D370 PolarHBondContact O-N 3.28Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.31Å; Y368-Y372 AromaticContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CE1-CE2 4.29Å; Y368-Y372 HydrophobicContact CE2-CD2 4.49Å; Y368-Y372 AromaticContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CG-CE2 4.46Å; Y368-Y372 AromaticContact CZ-CE2 3.72Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.38Å; Y368-Y372 WeakPolarHBondContact O-CE2 3.24Å
369L89.4Confident89.4Confident89 Ų8984.5 Ų84.547%0.46643%0.433SS..Hα-helixtrans-67.6-36.3-179.5-65.4174.8000112F365 K371 Y372 R373F365-L369 WeakPolarHBondContact O-CB 3.37Å; F365-L369 VanDerWaalsContact O-CG 3.26Å; F365-L369 WeakPolarHBondContact O-CG 3.48Å; F365-L369 PolarHBondContact O-N 3.03Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3Å; L369-Y372 PolarHBondContact O-N 3.16Å; L369-R373 PolarHBondContact O-N 3.11Å
370D87.1Confident89.5Confident33 Ų3384.4 Ų84.418%0.17644%0.436CS..Hα-helixtrans-64.9-27.6177-82.77.5000113.3N366 Y368 Y372 R373 K431N366-D370 WeakPolarHBondContact O-CB 3.28Å; N366-D370 PolarHBondContact O-N 3.04Å; Y368-D370 PolarHBondContact O-N 3.28Å; D370-Y372 PolarHBondContact O-N 3.3Å; D370-R373 PolarHBondContact O-N 2.93Å; D370-R373 IonicContact OD1-CZ 3.3Å; D370-R373 VanDerWaalsContact OD1-CZ 3.3Å; D370-R373 IonicContact OD1-NE 3.53Å; D370-R373 IonicContact OD1-NH2 2.67Å; D370-R373 PolarHBondContact OD1-NH2 3.41Å; D370-K431 IonicContact OD2-NZ 3.5Å; D370-K431 PolarHBondContact OD2-NZ 3.17Å
371K88.8Confident89.8Confident111 Ų11180.4 Ų80.448%0.48341%0.412SS..Hα-helixtrans-62.9-28.3176.1-77.4167.2-176.7-175.30113.3V352 L367 Y368 L369V352-K371 HydrophobicContact CG1-CB 4.19Å; L367-K371 VanDerWaalsContact O-CG 3.26Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3.34Å; Y368-K371 WeakPolarHBondContact O-CB 3.44Å; Y368-K371 PolarHBondContact O-N 3.31Å; L369-K371 VanDerWaalsContact C-N 3.27Å; L369-K371 PolarHBondContact O-N 3Å
372Y91.2Very high89.9Confident54 Ų5474.5 Ų74.521%0.21239%0.385CS..Hα-helixtrans-110.2-0.5-174.3-57.1-76.1000113V352 P353 Q355 Y368 L369 D370V352-Y372 HydrophobicContact CG1-CD1 4.01Å; V352-Y372 HydrophobicContact CG1-CE1 3.34Å; P353-Y372 WeakPolarHBondContact O-CE1 3.22Å; P353-Y372 VanDerWaalsContact O-CZ 3.29Å; P353-Y372 PolarHBondContact O-OH 2.92Å; Q355-Y372 HydrophobicContact CB-CD1 3.65Å; Q355-Y372 HydrophobicContact CB-CD2 4.12Å; Q355-Y372 HydrophobicContact CB-CE1 3.61Å; Q355-Y372 HydrophobicContact CB-CE2 4.13Å; Q355-Y372 HydrophobicContact CB-CG 3.89Å; Q355-Y372 HydrophobicContact CG-CD1 4.08Å; Q355-Y372 HydrophobicContact CG-CD2 3.63Å; Q355-Y372 HydrophobicContact CG-CE1 4.21Å; Q355-Y372 HydrophobicContact CG-CE2 3.83Å; Q355-Y372 HydrophobicContact CG-CG 3.77Å; Y368-Y372 AromaticContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CD2-CE2 3.93Å; Y368-Y372 HydrophobicContact CE1-CE2 4.29Å; Y368-Y372 HydrophobicContact CE2-CD2 4.49Å; Y368-Y372 AromaticContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CE2-CE2 3.53Å; Y368-Y372 HydrophobicContact CG-CE2 4.46Å; Y368-Y372 AromaticContact CZ-CE2 3.72Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.38Å; Y368-Y372 WeakPolarHBondContact O-CE2 3.24Å; L369-Y372 PolarHBondContact O-N 3.16Å; D370-Y372 PolarHBondContact O-N 3.3Å
373R90.1Very high89.9Confident87 Ų8772.9 Ų72.933%0.32837%0.369SS..SBendtrans-70.3134.9177.5-165-177-57.8-171.65108.7L369 D370 D377 I378 E381L369-R373 PolarHBondContact O-N 3.11Å; D370-R373 PolarHBondContact O-N 2.93Å; D370-R373 IonicContact OD1-CZ 3.3Å; D370-R373 VanDerWaalsContact OD1-CZ 3.3Å; D370-R373 IonicContact OD1-NE 3.53Å; D370-R373 IonicContact OD1-NH2 2.67Å; D370-R373 PolarHBondContact OD1-NH2 3.41Å; R373-D377 HydrophobicContact CG-CB 4.19Å; R373-I378 HydrophobicContact CB-CD1 4.19Å; R373-I378 HydrophobicContact CB-CG1 4.25Å; R373-I378 HydrophobicContact CG-CG1 4.08Å; R373-E381 IonicContact NH1-OE2 2.71Å; R373-E381 PolarHBondContact NH1-OE2 2.98Å
374P90.6Very high90.1Very high69 Ų6977.5 Ų77.545%0.44838%0.382SS..  trans-60.7145.9175.126.5-34.8000110.4D376 D377 I378P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 2.95Å; P374-D377 HydrophobicContact CG-CB 3.99Å; P374-D377 WeakPolarHBondContact CG-OD2 3.12Å; P374-D377 PolarHBondContact O-N 3.13Å; P374-I378 PolarHBondContact O-N 3.45Å
375L88.4Confident90.2Very high124 Ų12477.1 Ų77.165%0.64937%0.374SS*.Hα-helixtrans-60.6-40.9-177.6-69172.6000111.3D377 I378 E379L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.06Å; L375-I378 WeakPolarHBondContact O-CA 3.31Å; L375-I378 WeakPolarHBondContact O-CB 3.34Å; L375-I378 PolarHBondContact O-N 2.77Å; L375-E379 WeakPolarHBondContact O-CG 3.42Å; L375-E379 PolarHBondContact O-N 3.37Å
376D91.6Very high90.1Very high121 Ų12173.8 Ų73.865%0.64736%0.358SS*.Hα-helixtrans-55.5-40.4179.3-55.2-1.1000112.7P374 E379 A380P374-D376 VanDerWaalsContact C-N 3.29Å; P374-D376 PolarHBondContact O-N 2.95Å; D376-E379 PolarHBondContact O-N 2.88Å; D376-A380 VanDerWaalsContact O-CB 3.23Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.74Å
377D92.5Very high90.1Very high97 Ų9778.2 Ų78.252%0.51938%0.382SS..Hα-helixtrans-69.5-38.3178.4-76.1-14.4000111.5R373 P374 L375 E381R373-D377 HydrophobicContact CG-CB 4.19Å; P374-D377 HydrophobicContact CG-CB 3.99Å; P374-D377 WeakPolarHBondContact CG-OD2 3.12Å; P374-D377 PolarHBondContact O-N 3.13Å; L375-D377 VanDerWaalsContact C-N 3.28Å; L375-D377 PolarHBondContact O-N 3.06Å; D377-E381 WeakPolarHBondContact O-CB 3.44Å; D377-E381 PolarHBondContact O-N 2.6Å
378I89.3Confident90.2Very high24 Ų2478.4 Ų78.412%0.12340%0.395CS..Hα-helixtrans-65.6-47.2176.6-62.1167.6000109.3R373 P374 L375 E381 L382 K431R373-I378 HydrophobicContact CB-CD1 4.19Å; R373-I378 HydrophobicContact CB-CG1 4.25Å; R373-I378 HydrophobicContact CG-CG1 4.08Å; P374-I378 PolarHBondContact O-N 3.45Å; L375-I378 WeakPolarHBondContact O-CA 3.31Å; L375-I378 WeakPolarHBondContact O-CB 3.34Å; L375-I378 PolarHBondContact O-N 2.77Å; I378-E381 PolarHBondContact O-N 2.9Å; I378-L382 HydrophobicContact CG2-CD1 3.81Å; I378-L382 HydrophobicContact CG2-CG 4.38Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.04Å; I378-K431 HydrophobicContact CG2-CD 4.13Å
379E89.8Confident89.9Confident124 Ų12479.6 Ų79.658%0.57940%0.399SS*.Hα-helixtrans-62.9-42.8178.6-71.6-178.4179.500111.5L375 D376 E381 L382 L383L375-E379 WeakPolarHBondContact O-CG 3.42Å; L375-E379 PolarHBondContact O-N 3.37Å; D376-E379 PolarHBondContact O-N 2.88Å; E379-E381 PolarHBondContact O-N 3.4Å; E379-L382 PolarHBondContact O-N 3.11Å; E379-L383 VanDerWaalsContact O-CB 3.24Å; E379-L383 WeakPolarHBondContact O-CB 3.18Å; E379-L383 PolarHBondContact O-N 3.16Å
380A92.6Very high89.7Confident36 Ų3678 Ų7830%0.29839%0.393SS..Hα-helixtrans-62.4-40.4175.300000112.3D376 R384D376-A380 VanDerWaalsContact O-CB 3.23Å; D376-A380 WeakPolarHBondContact O-CB 3.42Å; D376-A380 PolarHBondContact O-N 2.74Å; A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.31Å; A380-R384 PolarHBondContact O-N 2.96Å
381E91.8Very high89.4Confident64 Ų6478.9 Ų78.930%0.29940%0.402SS..Hα-helixtrans-63.5-46.9174.9-167.5-168.6147.400111.5R373 D377 I378 E379 R384 K385R373-E381 IonicContact NH1-OE2 2.71Å; R373-E381 PolarHBondContact NH1-OE2 2.98Å; D377-E381 WeakPolarHBondContact O-CB 3.44Å; D377-E381 PolarHBondContact O-N 2.6Å; I378-E381 PolarHBondContact O-N 2.9Å; E379-E381 PolarHBondContact O-N 3.4Å; E381-R384 PolarHBondContact O-N 3.46Å; E381-K385 WeakPolarHBondContact O-CG 3.27Å; E381-K385 PolarHBondContact O-N 2.88Å
382L91.4Very high89Confident15 Ų1580.9 Ų80.98%0.07942%0.423CS..Hα-helixtrans-65.2-41179.3-69.1169.5000111.9I378 E379 K385 R386 K431 Y432 I435I378-L382 HydrophobicContact CG2-CD1 3.81Å; I378-L382 HydrophobicContact CG2-CG 4.38Å; I378-L382 WeakPolarHBondContact O-CB 3.49Å; I378-L382 VanDerWaalsContact O-CG 3.24Å; I378-L382 WeakPolarHBondContact O-CG 3.39Å; I378-L382 PolarHBondContact O-N 3.04Å; E379-L382 PolarHBondContact O-N 3.11Å; L382-K385 PolarHBondContact O-N 3.17Å; L382-R386 PolarHBondContact O-N 3.33Å; L382-K431 HydrophobicContact CD1-CB 4.15Å; L382-K431 VanDerWaalsContact CD1-O 3.26Å; L382-K431 WeakPolarHBondContact CD1-O 3.39Å; L382-Y432 HydrophobicContact CD2-CD1 3.8Å; L382-Y432 HydrophobicContact CD2-CE1 4.22Å; L382-I435 HydrophobicContact CD2-CD1 3.98Å; L382-I435 HydrophobicContact CD2-CG1 3.99Å
383L90.2Very high88.5Confident98 Ų9889.8 Ų89.851%0.51346%0.456SS..Hα-helixtrans-61.9-44.9175.8-178.663.4000110.9E379 K385 R386 L387E379-L383 VanDerWaalsContact O-CB 3.24Å; E379-L383 WeakPolarHBondContact O-CB 3.18Å; E379-L383 PolarHBondContact O-N 3.16Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.38Å; L383-R386 PolarHBondContact O-N 2.98Å; L383-L387 HydrophobicContact CD1-CD1 4.25Å; L383-L387 HydrophobicContact CD1-CG 4.21Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 HydrophobicContact CG-CG 4.37Å; L383-L387 WeakPolarHBondContact O-CB 2.98Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.17Å; L383-L387 PolarHBondContact O-N 3.25Å
384R92.8Very high87.9Confident181 Ų18193.7 Ų93.768%0.68348%0.476SS*.Hα-helixtrans-59.5-43.5174.7-75175.4-172.3140.83.2111.8A380 E381 L387 A388A380-R384 VanDerWaalsContact O-CG 3.3Å; A380-R384 WeakPolarHBondContact O-CG 3.31Å; A380-R384 PolarHBondContact O-N 2.96Å; E381-R384 PolarHBondContact O-N 3.46Å; R384-L387 PolarHBondContact O-N 2.88Å; R384-A388 WeakPolarHBondContact O-CB 3.48Å; R384-A388 PolarHBondContact O-N 3.41Å
385K91.1Very high87.4Confident58 Ų5892.1 Ų92.125%0.25247%0.472SS..Hα-helixtrans-62.7-41.7176.3-75.7-176.7169.3-164.20112.2E381 L382 L383 A388 R389 E425 I435E381-K385 WeakPolarHBondContact O-CG 3.27Å; E381-K385 PolarHBondContact O-N 2.88Å; L382-K385 PolarHBondContact O-N 3.17Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.38Å; K385-A388 PolarHBondContact O-N 2.97Å; K385-R389 PolarHBondContact O-N 3.26Å; K385-E425 WeakPolarHBondContact CD-OE1 3.48Å; K385-E425 IonicContact NZ-OE1 2.85Å; K385-E425 PolarHBondContact NZ-OE1 3.4Å; K385-E425 IonicContact NZ-OE2 2.7Å; K385-E425 PolarHBondContact NZ-OE2 2.97Å; K385-I435 HydrophobicContact CB-CD1 4.2Å; K385-I435 HydrophobicContact CD-CD1 4.19Å
386R88.1Confident87Confident39 Ų3989.5 Ų89.515%0.14746%0.458CS..Hα-helixtrans-64.5-50.2175.9-174.1173.1178.6-154.5-9.5111.3L382 L383 A388 R389 V390 A434 I435 N438L382-R386 PolarHBondContact O-N 3.33Å; L383-R386 PolarHBondContact O-N 2.98Å; R386-A388 PolarHBondContact O-N 3.38Å; R386-R389 WeakPolarHBondContact O-CB 3.27Å; R386-R389 PolarHBondContact O-N 3.42Å; R386-V390 PolarHBondContact O-N 3.47Å; R386-A434 WeakPolarHBondContact CD-O 3.12Å; R386-I435 HydrophobicContact CB-CG2 4.42Å; R386-N438 PolarHBondContact NH1-OD1 2.79Å; R386-N438 PolarHBondContact NH2-ND2 3.35Å
387L88Confident86.5Confident109 Ų10988.5 Ų88.557%0.57145%0.45SS*.Hα-helixtrans-60.8-31.4177.2-69.5175.6000112.5L383 R384 R389 V390L383-L387 HydrophobicContact CD1-CD1 4.25Å; L383-L387 HydrophobicContact CD1-CG 4.21Å; L383-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 HydrophobicContact CG-CG 4.37Å; L383-L387 WeakPolarHBondContact O-CB 2.98Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.17Å; L383-L387 PolarHBondContact O-N 3.25Å; R384-L387 PolarHBondContact O-N 2.88Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 2.9Å; L387-V390 PolarHBondContact O-N 3.2Å; L387-V390 VanDerWaalsContact O-O 3.08Å
388A89.2Confident85.9Confident87 Ų8789.4 Ų89.472%0.71946%0.461SS*.Hα-helixtrans-67.7-24.2174.200000113.6R384 K385 R386R384-A388 WeakPolarHBondContact O-CB 3.48Å; R384-A388 PolarHBondContact O-N 3.41Å; K385-A388 PolarHBondContact O-N 2.97Å; R386-A388 PolarHBondContact O-N 3.38Å
389R84.6Confident85.6Confident52 Ų5293.7 Ų93.720%0.19648%0.475CS..Hα-helixtrans-81.6-35.9174.3-68.9175.959.5-171.6-7.5112.3K385 R386 L387 S391 Q397 I435 Y436K385-R389 PolarHBondContact O-N 3.26Å; R386-R389 WeakPolarHBondContact O-CB 3.27Å; R386-R389 PolarHBondContact O-N 3.42Å; L387-R389 VanDerWaalsContact C-N 3.27Å; L387-R389 PolarHBondContact O-N 2.9Å; R389-S391 PolarHBondContact O-N 3.47Å; R389-Q397 PolarHBondContact NH2-O 2.84Å; R389-I435 VanDerWaalsContact NH1-CG2 3.27Å; R389-Y436 VanDerWaalsContact NH1-CZ 3.32Å
390V83.8Confident85.3Confident56 Ų5693.7 Ų93.734%0.33948%0.479SS..  trans-75.2111.6-179.7-178.60000109R386 L387 D396R386-V390 PolarHBondContact O-N 3.47Å; L387-V390 PolarHBondContact O-N 3.2Å; L387-V390 VanDerWaalsContact O-O 3.08Å; V390-D396 HydrophobicContact CG2-CB 4.19Å
391S80.8Confident85.1Confident50 Ų5097.2 Ų97.235%0.3550%0.499SS..BIsolated β-bridgetrans-94.2130.5169.7-177.60000108.8R389 R393 K394 G395R389-S391 PolarHBondContact O-N 3.47Å; S391-R393 PolarHBondContact O-N 3.24Å; S391-K394 PolarHBondContact O-N 3.39Å; S391-G395 PolarHBondContact N-O 2.94Å; S391-G395 PolarHBondContact O-N 3.05Å
392V81.1Confident84.9Confident154 Ų154102.7 Ų102.793%0.93352%0.518SS*.THydrogen-bonded Turntrans-48.3-32177.1-1780000112.4
393R81.7Confident84.7Confident240 Ų240103.3 Ų103.391%0.90652%0.523SS*.THydrogen-bonded Turntrans-90.7-29-179.2-64.4-175.7-179.9-179.2-0115S391S391-R393 PolarHBondContact O-N 3.24Å
394K75.7Confident84.6Confident170 Ų170100.1 Ų100.174%0.73951%0.506SS*.THydrogen-bonded Turntrans-107.3-4.7-171.8-63.3-175.8176.5-178.60113.5S391S391-K394 PolarHBondContact O-N 3.39Å
395G81Confident84.4Confident35 Ų3597.3 Ų97.336%0.36150%0.504SS..BIsolated β-bridgetrans69.8-162.9-172.500000112S391S391-G395 PolarHBondContact N-O 2.94Å; S391-G395 PolarHBondContact O-N 3.05Å
396D79.7Confident84.2Confident69 Ų69100.9 Ų100.937%0.36952%0.519SS..SBendtrans-74.6136.6174.1-159.3-4000110.5V390V390-D396 HydrophobicContact CG2-CB 4.19Å
397Q80.3Confident84.2Confident101 Ų101103.6 Ų103.647%0.47253%0.53SS..PPolyproline II helixtrans-83.2123.6-179.3-67.6-177.45.500109.3R389R389-Q397 PolarHBondContact NH2-O 2.84Å
398P81Confident84.3Confident115 Ų115106.5 Ų106.575%0.74754%0.535SS*.PPolyproline II helixtrans-60.3148.7178.826.7-34.3000110.1L400P398-L400 PolarHBondContact O-N 3.08Å
399R82.2Confident84.3Confident114 Ų114109.4 Ų109.443%0.4353%0.531SS..PPolyproline II helixtrans-59.6133.2174.9-176.6171.3169-176.7-9.4109.5N426 L427 Y436R399-N426 PolarHBondContact NE-O 2.81Å; R399-L427 PolarHBondContact NH1-O 3.5Å; R399-L427 PolarHBondContact NH2-O 2.89Å; R399-Y436 HydrophobicContact CB-CD1 3.87Å; R399-Y436 HydrophobicContact CB-CE1 3.86Å; R399-Y436 HydrophobicContact CG-CD1 4.09Å; R399-Y436 HydrophobicContact CG-CE1 3.71Å
400L85Confident84.6Confident124 Ų124108.5 Ų108.565%0.64953%0.53SS*.PPolyproline II helixtrans-58.7137.7175.3-67.4171.2000109.7P398 Y402 P403P398-L400 PolarHBondContact O-N 3.08Å; L400-Y402 PolarHBondContact O-N 3.17Å; L400-P403 WeakPolarHBondContact O-CD 3.49Å
401P87Confident84.9Confident111 Ų111111.7 Ų111.772%0.72154%0.539SS*.SBendtrans-56.3-34.2178.3-2734.2000113.3
402Y88.9Confident85.3Confident179 Ų179115.6 Ų115.670%0.70255%0.552SS**SBendtrans-124.877.3178-54.4-71000109.7L400 N404 I405L400-Y402 PolarHBondContact O-N 3.17Å; Y402-N404 PolarHBondContact O-N 3.29Å; Y402-N404 VanDerWaalsContact O-N 3.15Å; Y402-I405 PolarHBondContact O-N 2.7Å
403P86.4Confident85.9Confident28 Ų28116.5 Ų116.518%0.18254%0.544CS..THydrogen-bonded Turntrans-70.4-17-167.831.9-37.7000112.8L400 N426 L427L400-P403 WeakPolarHBondContact O-CD 3.49Å; P403-N426 HydrophobicContact CB-CB 4.04Å; P403-N426 VanDerWaalsContact CB-O 3.31Å; P403-N426 WeakPolarHBondContact CB-O 3.23Å; P403-N426 WeakPolarHBondContact CG-O 3.35Å; P403-N426 PolarHBondContact O-ND2 3.06Å; P403-L427 HydrophobicContact CG-CD2 4.02Å
404N88.4Confident86.4Confident31 Ų31106.2 Ų106.217%0.16651%0.506CS..THydrogen-bonded Turntrans-113.933.8179-72.8-36.5000113.3Y402 F406 Y407 Y423 N426 L427Y402-N404 PolarHBondContact O-N 3.29Å; Y402-N404 VanDerWaalsContact O-N 3.15Å; N404-F406 PolarHBondContact O-N 3.5Å; N404-F406 VanDerWaalsContact O-N 3.11Å; N404-Y407 VanDerWaalsContact O-CB 3.23Å; N404-Y407 WeakPolarHBondContact O-CB 3.26Å; N404-Y407 PolarHBondContact O-N 3.31Å; N404-Y423 WeakPolarHBondContact ND2-CD2 3.44Å; N404-Y423 VanDerWaalsContact ND2-CE2 3.34Å; N404-Y423 WeakPolarHBondContact ND2-CE2 3.24Å; N404-N426 WeakPolarHBondContact OD1-CB 3.47Å; N404-N426 PolarHBondContact OD1-ND2 3.23Å; N404-L427 WeakPolarHBondContact ND2-CG 3.31Å
405I88.8Confident87.2Confident122 Ų122101.4 Ų101.463%0.62649%0.493SS*.THydrogen-bonded Turntrans-56.3-29.6-179.6-160.9166.9000113.3Y402Y402-I405 PolarHBondContact O-N 2.7Å
406F87.1Confident87.6Confident133 Ų133104.5 Ų104.558%0.58351%0.509SS*.THydrogen-bonded Turntrans-92.914.9178-57.8-65.2000114.1N404 Y408 K409 D410N404-F406 PolarHBondContact O-N 3.5Å; N404-F406 VanDerWaalsContact O-N 3.11Å; F406-Y408 VanDerWaalsContact C-N 3.27Å; F406-Y408 PolarHBondContact O-N 2.95Å; F406-Y408 VanDerWaalsContact O-N 3.12Å; F406-K409 PolarHBondContact O-N 3.36Å; F406-D410 PolarHBondContact O-N 3.02Å
407Y88.4Confident88.2Confident96 Ų96105.6 Ų105.638%0.37651%0.508SS..Hα-helixtrans-48.1-46.7-175179.8-91.2000113.6N404 K411 H419 Y423N404-Y407 VanDerWaalsContact O-CB 3.23Å; N404-Y407 WeakPolarHBondContact O-CB 3.26Å; N404-Y407 PolarHBondContact O-N 3.31Å; Y407-K411 HydrophobicContact CE1-CD 4.07Å; Y407-K411 VanDerWaalsContact O-CB 3.29Å; Y407-K411 WeakPolarHBondContact O-CB 3.49Å; Y407-K411 PolarHBondContact O-N 2.86Å; Y407-H419 AromaticContact CD2-CE1 3.85Å; Y407-H419 AromaticContact CD2-NE2 3.63Å; Y407-H419 AromaticContact CE2-CE1 3.34Å; Y407-H419 WeakPolarHBondContact CE2-CE1 3.24Å; Y407-H419 AromaticContact CE2-NE2 3.64Å; Y407-H419 AromaticContact CZ-CE1 3.61Å; Y407-H419 PolarHBondContact O-NE2 2.85Å; Y407-Y423 AromaticContact CD2-CD2 3.68Å; Y407-Y423 HydrophobicContact CD2-CD2 3.68Å; Y407-Y423 AromaticContact CD2-CE2 4Å; Y407-Y423 HydrophobicContact CD2-CE2 4Å; Y407-Y423 AromaticContact CE2-CD2 3.6Å; Y407-Y423 HydrophobicContact CE2-CD2 3.6Å; Y407-Y423 AromaticContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CG 4.4Å
408Y88.5Confident88.7Confident170 Ų170103 Ų10367%0.66750%0.497SS*.Hα-helixtrans-63.7-47.8-179.7-176.1-95.1000111.6F406 D410 K411 H412F406-Y408 VanDerWaalsContact C-N 3.27Å; F406-Y408 PolarHBondContact O-N 2.95Å; F406-Y408 VanDerWaalsContact O-N 3.12Å; Y408-D410 PolarHBondContact O-N 3.46Å; Y408-K411 PolarHBondContact O-N 2.8Å; Y408-H412 AromaticContact CD1-CD2 4Å; Y408-H412 AromaticContact CE1-CD2 3.66Å; Y408-H412 AromaticContact CE1-NE2 3.81Å; Y408-H412 AromaticContact CE2-CD2 4Å; Y408-H412 AromaticContact CE2-NE2 3.51Å; Y408-H412 AromaticContact CZ-CD2 3.67Å; Y408-H412 AromaticContact CZ-NE2 3.29Å; Y408-H412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-H412 PolarHBondContact O-CD2 3.43Å; Y408-H412 VanDerWaalsContact O-CD2 3.24Å; Y408-H412 PolarHBondContact O-N 3.49Å; Y408-H412 PolarHBondContact OH-NE2 3.31Å
409K90.2Very high89.3Confident147 Ų14798.5 Ų98.564%0.63947%0.466SS*.Hα-helixtrans-61.8-45.3178.8-174.1178.8178.1-178.90111.1F406 K411 H412 F413F406-K409 PolarHBondContact O-N 3.36Å; K409-K411 PolarHBondContact O-N 3.04Å; K409-H412 PolarHBondContact O-N 3.02Å; K409-F413 PolarHBondContact O-N 3.29Å; K409-F413 VanDerWaalsContact O-N 3.12Å
410D90.3Very high89.7Confident33 Ų3396.7 Ų96.718%0.17646%0.464CS..Hα-helixtrans-66.7-36.9-179-70.9-18000112.1F406 Y408 H412 F413 L414F406-D410 PolarHBondContact O-N 3.02Å; Y408-D410 PolarHBondContact O-N 3.46Å; D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.25Å; D410-F413 PolarHBondContact O-N 3.04Å; D410-L414 HydrophobicContact CB-CD1 3.83Å; D410-L414 HydrophobicContact CB-CG 4.43Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.06Å
411K89.9Confident90Very high123 Ų12392.6 Ų92.654%0.53544%0.442SS..Hα-helixtrans-62.5-32.1177.2-175176.5177.6-179.90112.9Y407 Y408 K409 H419Y407-K411 HydrophobicContact CE1-CD 4.07Å; Y407-K411 VanDerWaalsContact O-CB 3.29Å; Y407-K411 WeakPolarHBondContact O-CB 3.49Å; Y407-K411 PolarHBondContact O-N 2.86Å; Y408-K411 PolarHBondContact O-N 2.8Å; K409-K411 PolarHBondContact O-N 3.04Å; K411-H419 PolarHBondContact N-CD2 2.86Å
412H89.6Confident90.1Very high133 Ų13392.6 Ų92.662%0.61643%0.428SS*.Hα-helixtrans-85.7-32.7179.2-78.7-71.9000113.4Y408 K409 D410Y408-H412 AromaticContact CD1-CD2 4Å; Y408-H412 AromaticContact CE1-CD2 3.66Å; Y408-H412 AromaticContact CE1-NE2 3.81Å; Y408-H412 AromaticContact CE2-CD2 4Å; Y408-H412 AromaticContact CE2-NE2 3.51Å; Y408-H412 AromaticContact CZ-CD2 3.67Å; Y408-H412 AromaticContact CZ-NE2 3.29Å; Y408-H412 VanDerWaalsContact CZ-NE2 3.29Å; Y408-H412 PolarHBondContact O-CD2 3.43Å; Y408-H412 VanDerWaalsContact O-CD2 3.24Å; Y408-H412 PolarHBondContact O-N 3.49Å; Y408-H412 PolarHBondContact OH-NE2 3.31Å; K409-H412 PolarHBondContact O-N 3.02Å; D410-H412 VanDerWaalsContact C-N 3.26Å; D410-H412 PolarHBondContact O-N 3.25Å
413F93.2Very high90.3Very high173 Ų17388.2 Ų88.276%0.75941%0.41SS*.Hα-helixtrans-93.6-35.6-174.1-172-100.9000113.6K409 D410K409-F413 PolarHBondContact O-N 3.29Å; K409-F413 VanDerWaalsContact O-N 3.12Å; D410-F413 PolarHBondContact O-N 3.04Å
414L92.7Very high90.5Very high23 Ų2390.7 Ų90.712%0.1242%0.418CS..SBendtrans-91.7149.5-175.2-57.2174.5000111.4D410 L418 H419D410-L414 HydrophobicContact CB-CD1 3.83Å; D410-L414 HydrophobicContact CB-CG 4.43Å; D410-L414 VanDerWaalsContact O-CB 3.27Å; D410-L414 WeakPolarHBondContact O-CB 3.33Å; D410-L414 WeakPolarHBondContact O-CG 3.18Å; D410-L414 PolarHBondContact O-N 3.06Å; L414-L418 HydrophobicContact CD2-CD2 4.04Å; L414-H419 HydrophobicContact CB-CB 4.25Å
415P92.6Very high90.7Very high69 Ų6991.4 Ų91.445%0.44842%0.421SS..  trans-54.4144.4163.5-24.434.7000111.2W417 L418 H419P415-W417 VanDerWaalsContact C-N 3.28Å; P415-W417 PolarHBondContact O-N 2.93Å; P415-W417 VanDerWaalsContact O-N 3.17Å; P415-L418 PolarHBondContact O-N 2.89Å; P415-L418 VanDerWaalsContact O-N 3.11Å; P415-H419 PolarHBondContact O-N 2.95Å
416S90.4Very high90.8Very high100 Ų10087.9 Ų87.970%0.69940%0.403SS*.Hα-helixtrans-54.8-38.6-173.456.40000114.2L420S416-L420 WeakPolarHBondContact O-CB 3.26Å; S416-L420 PolarHBondContact O-N 2.9Å
417W90.3Very high90.9Very high92 Ų9283.4 Ų83.435%0.34839%0.385SS..Hα-helixtrans-68-42.5179.967.8-90.5000112.3F365 P415 L420 E421F365-W417 AromaticContact CE1-CD1 3.94Å; F365-W417 HydrophobicContact CE1-CD2 4.16Å; F365-W417 HydrophobicContact CE1-CG 4.02Å; F365-W417 AromaticContact CZ-CD2 3.64Å; F365-W417 HydrophobicContact CZ-CD2 3.64Å; F365-W417 AromaticContact CZ-CE2 3.65Å; F365-W417 HydrophobicContact CZ-CE3 4.01Å; F365-W417 AromaticContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CG 4Å; F365-W417 HydrophobicContact CZ-CH2 4.39Å; F365-W417 HydrophobicContact CZ-CZ2 4.05Å; F365-W417 HydrophobicContact CZ-CZ3 4.37Å; F365-W417 AromaticContact CZ-NE1 3.94Å; P415-W417 VanDerWaalsContact C-N 3.28Å; P415-W417 PolarHBondContact O-N 2.93Å; P415-W417 VanDerWaalsContact O-N 3.17Å; W417-L420 PolarHBondContact O-N 3.22Å; W417-E421 PolarHBondContact O-N 2.94Å
418L92.5Very high90.9Very high48 Ų4879.4 Ų79.425%0.25137%0.373SS..Hα-helixtrans-70.5-38179.1-179.263000111.2L414 P415 L420 E421 R422L414-L418 HydrophobicContact CD2-CD2 4.04Å; P415-L418 PolarHBondContact O-N 2.89Å; P415-L418 VanDerWaalsContact O-N 3.11Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L418-E421 PolarHBondContact O-N 3.38Å; L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.02Å
419H92.6Very high90.9Very high19 Ų1975.2 Ų75.29%0.08836%0.361CS..Hα-helixtrans-58.7-46.7171.5175.3-111.4000111.4Y407 K411 L414 P415 R422 Y423Y407-H419 AromaticContact CD2-CE1 3.85Å; Y407-H419 AromaticContact CD2-NE2 3.63Å; Y407-H419 AromaticContact CE2-CE1 3.34Å; Y407-H419 WeakPolarHBondContact CE2-CE1 3.24Å; Y407-H419 AromaticContact CE2-NE2 3.64Å; Y407-H419 AromaticContact CZ-CE1 3.61Å; Y407-H419 PolarHBondContact O-NE2 2.85Å; K411-H419 PolarHBondContact N-CD2 2.86Å; L414-H419 HydrophobicContact CB-CB 4.25Å; P415-H419 PolarHBondContact O-N 2.95Å; H419-R422 PolarHBondContact O-N 2.99Å; H419-Y423 VanDerWaalsContact O-CB 3.23Å; H419-Y423 WeakPolarHBondContact O-CB 3.41Å; H419-Y423 PolarHBondContact O-N 3.25Å
420L90.9Very high90.6Very high76 Ų7671.3 Ų71.340%0.39836%0.363SS..Hα-helixtrans-65.9-40.5179.7-171.1159.4000112.1S416 W417 L418 Y423 K424S416-L420 WeakPolarHBondContact O-CB 3.26Å; S416-L420 PolarHBondContact O-N 2.9Å; W417-L420 PolarHBondContact O-N 3.22Å; L418-L420 VanDerWaalsContact C-N 3.34Å; L420-Y423 PolarHBondContact O-N 2.91Å; L420-K424 HydrophobicContact CD2-CD 3.67Å; L420-K424 HydrophobicContact CD2-CG 4.19Å; L420-K424 WeakPolarHBondContact O-CG 3.31Å; L420-K424 PolarHBondContact O-N 3.49Å
421E90.3Very high90.4Very high39 Ų3972.9 Ų72.918%0.18237%0.368CS..Hα-helixtrans-62.5-50.2174.4-79.6177.5-163.700112N366 W417 L418 Y423 K424 E425N366-E421 PolarHBondContact ND2-OE1 3.1Å; N366-E421 VanDerWaalsContact ND2-OE1 3.17Å; W417-E421 PolarHBondContact O-N 2.94Å; L418-E421 PolarHBondContact O-N 3.38Å; E421-Y423 VanDerWaalsContact C-N 3.29Å; E421-Y423 PolarHBondContact O-N 3.43Å; E421-K424 PolarHBondContact O-N 2.64Å; E421-E425 VanDerWaalsContact O-CB 3.31Å; E421-E425 WeakPolarHBondContact O-CB 3.49Å; E421-E425 PolarHBondContact O-N 3.35Å
422R90.5Very high90.4Very high111 Ų11167.3 Ų67.342%0.41934%0.344SS..Hα-helixtrans-58.2-42.9175-77-172.3177.6-179.2-0.9111.9L418 H419 K424 E425 N426L418-R422 WeakPolarHBondContact O-CG 3.45Å; L418-R422 PolarHBondContact O-N 3.02Å; H419-R422 PolarHBondContact O-N 2.99Å; R422-K424 PolarHBondContact O-N 3.4Å; R422-E425 PolarHBondContact O-N 3.23Å; R422-N426 VanDerWaalsContact O-CB 3.22Å; R422-N426 WeakPolarHBondContact O-CB 3.5Å; R422-N426 PolarHBondContact O-N 3.28Å; R422-N426 PolarHBondContact O-ND2 2.91Å
423Y91.8Very high90.3Very high87 Ų8766 Ų6634%0.34134%0.336SS..Hα-helixtrans-58.6-46.4177.5173.8-96.8000112N404 Y407 H419 L420 E421 L427 L429N404-Y423 WeakPolarHBondContact ND2-CD2 3.44Å; N404-Y423 VanDerWaalsContact ND2-CE2 3.34Å; N404-Y423 WeakPolarHBondContact ND2-CE2 3.24Å; Y407-Y423 AromaticContact CD2-CD2 3.68Å; Y407-Y423 HydrophobicContact CD2-CD2 3.68Å; Y407-Y423 AromaticContact CD2-CE2 4Å; Y407-Y423 HydrophobicContact CD2-CE2 4Å; Y407-Y423 AromaticContact CE2-CD2 3.6Å; Y407-Y423 HydrophobicContact CE2-CD2 3.6Å; Y407-Y423 AromaticContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CE2 3.81Å; Y407-Y423 HydrophobicContact CE2-CG 4.4Å; H419-Y423 VanDerWaalsContact O-CB 3.23Å; H419-Y423 WeakPolarHBondContact O-CB 3.41Å; H419-Y423 PolarHBondContact O-N 3.25Å; L420-Y423 PolarHBondContact O-N 2.91Å; E421-Y423 VanDerWaalsContact C-N 3.29Å; E421-Y423 PolarHBondContact O-N 3.43Å; Y423-L427 HydrophobicContact CD1-CD1 4.16Å; Y423-L427 HydrophobicContact CD2-CD1 4.27Å; Y423-L427 HydrophobicContact CE1-CD1 3.54Å; Y423-L427 HydrophobicContact CE2-CD1 3.68Å; Y423-L427 HydrophobicContact CG-CD1 4.49Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.31Å; Y423-L427 WeakPolarHBondContact OH-CD1 3.3Å; Y423-L429 HydrophobicContact CE1-CD1 4.39Å
424K91.8Very high90Very high79 Ų7959.7 Ų59.734%0.34332%0.317SS..Hα-helixtrans-68.4-40.3177.3-73.8-177.8176.2175.50112.2L420 E421 R422 L427 G428 L429 Y432L420-K424 HydrophobicContact CD2-CD 3.67Å; L420-K424 HydrophobicContact CD2-CG 4.19Å; L420-K424 WeakPolarHBondContact O-CG 3.31Å; L420-K424 PolarHBondContact O-N 3.49Å; E421-K424 PolarHBondContact O-N 2.64Å; R422-K424 PolarHBondContact O-N 3.4Å; K424-L427 PolarHBondContact O-N 2.84Å; K424-G428 PolarHBondContact O-N 2.71Å; K424-L429 HydrophobicContact CB-CB 4.29Å; K424-L429 HydrophobicContact CG-CB 4.34Å; K424-L429 PolarHBondContact O-N 3.22Å; K424-Y432 HydrophobicContact CB-CD2 3.77Å; K424-Y432 HydrophobicContact CB-CE2 3.94Å
425E92Very high89.8Confident47 Ų4758.7 Ų58.722%0.2231%0.311CS..Hα-helixtrans-62.7-45.3177.3-176.1169176.700111.7K385 E421 R422 L427 G428 Y432 I435 Y436K385-E425 WeakPolarHBondContact CD-OE1 3.48Å; K385-E425 IonicContact NZ-OE1 2.85Å; K385-E425 PolarHBondContact NZ-OE1 3.4Å; K385-E425 IonicContact NZ-OE2 2.7Å; K385-E425 PolarHBondContact NZ-OE2 2.97Å; E421-E425 VanDerWaalsContact O-CB 3.31Å; E421-E425 WeakPolarHBondContact O-CB 3.49Å; E421-E425 PolarHBondContact O-N 3.35Å; R422-E425 PolarHBondContact O-N 3.23Å; E425-L427 VanDerWaalsContact C-N 3.26Å; E425-L427 PolarHBondContact O-N 3.38Å; E425-G428 PolarHBondContact O-N 3.43Å; E425-Y432 HydrophobicContact CB-CD1 3.79Å; E425-Y432 HydrophobicContact CB-CD2 4.26Å; E425-Y432 HydrophobicContact CB-CE1 4.02Å; E425-Y432 HydrophobicContact CB-CE2 4.46Å; E425-Y432 HydrophobicContact CB-CG 3.91Å; E425-Y432 HydrophobicContact CG-CD1 3.82Å; E425-Y432 HydrophobicContact CG-CE1 4.18Å; E425-Y432 HydrophobicContact CG-CG 4.3Å; E425-I435 HydrophobicContact CG-CD1 3.98Å; E425-Y436 WeakPolarHBondContact O-CE2 3.42Å; E425-Y436 PolarHBondContact O-OH 3.3Å
426N90.8Very high89.5Confident47 Ų4758 Ų5825%0.25130%0.3SS..Hα-helixtrans-63.8-31.7175.6-74.8-9.7000112.7R399 P403 N404 R422 Y436R399-N426 PolarHBondContact NE-O 2.81Å; P403-N426 HydrophobicContact CB-CB 4.04Å; P403-N426 VanDerWaalsContact CB-O 3.31Å; P403-N426 WeakPolarHBondContact CB-O 3.23Å; P403-N426 WeakPolarHBondContact CG-O 3.35Å; P403-N426 PolarHBondContact O-ND2 3.06Å; N404-N426 WeakPolarHBondContact OD1-CB 3.47Å; N404-N426 PolarHBondContact OD1-ND2 3.23Å; R422-N426 VanDerWaalsContact O-CB 3.22Å; R422-N426 WeakPolarHBondContact O-CB 3.5Å; R422-N426 PolarHBondContact O-N 3.28Å; R422-N426 PolarHBondContact O-ND2 2.91Å; N426-Y436 PolarHBondContact O-OH 3.35Å
427L89.2Confident89.1Confident40 Ų4058.4 Ų58.421%0.20929%0.291CS..Hα-helixtrans-88.2-11.4179.1-70.1177000114.8R399 P403 N404 Y423 K424 E425 L429R399-L427 PolarHBondContact NH1-O 3.5Å; R399-L427 PolarHBondContact NH2-O 2.89Å; P403-L427 HydrophobicContact CG-CD2 4.02Å; N404-L427 WeakPolarHBondContact ND2-CG 3.31Å; Y423-L427 HydrophobicContact CD1-CD1 4.16Å; Y423-L427 HydrophobicContact CD2-CD1 4.27Å; Y423-L427 HydrophobicContact CE1-CD1 3.54Å; Y423-L427 HydrophobicContact CE2-CD1 3.68Å; Y423-L427 HydrophobicContact CG-CD1 4.49Å; Y423-L427 WeakPolarHBondContact O-CG 3.4Å; Y423-L427 PolarHBondContact O-N 3.31Å; Y423-L427 WeakPolarHBondContact OH-CD1 3.3Å; K424-L427 PolarHBondContact O-N 2.84Å; E425-L427 VanDerWaalsContact C-N 3.26Å; E425-L427 PolarHBondContact O-N 3.38Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 HydrophobicContact CB-CD1 3.86Å; L427-L429 HydrophobicContact CB-CG 3.68Å; L427-L429 HydrophobicContact CD1-CD1 3.74Å; L427-L429 HydrophobicContact CD1-CG 4.45Å; L427-L429 HydrophobicContact CG-CD1 4.47Å
428G88.3Confident88.3Confident11 Ų1155.7 Ų55.711%0.11328%0.283CS..THydrogen-bonded Turntrans65.334.2-171.800000112.7K424 E425 K433K424-G428 PolarHBondContact O-N 2.71Å; E425-G428 PolarHBondContact O-N 3.43Å; G428-K433 VanDerWaalsContact O-CA 3.31Å; G428-K433 WeakPolarHBondContact O-CA 3.37Å; G428-K433 WeakPolarHBondContact O-CB 3.33Å; G428-K433 PolarHBondContact O-N 3.16Å
429L87.9Confident86.9Confident82 Ų8258.8 Ų58.843%0.42931%0.306SS..  trans-86.7136.6-178.5-67173.9000111.7Y423 K424 L427 K431 Y432Y423-L429 HydrophobicContact CE1-CD1 4.39Å; K424-L429 HydrophobicContact CB-CB 4.29Å; K424-L429 HydrophobicContact CG-CB 4.34Å; K424-L429 PolarHBondContact O-N 3.22Å; L427-L429 VanDerWaalsContact C-N 3.31Å; L427-L429 HydrophobicContact CB-CD1 3.86Å; L427-L429 HydrophobicContact CB-CG 3.68Å; L427-L429 HydrophobicContact CD1-CD1 3.74Å; L427-L429 HydrophobicContact CD1-CG 4.45Å; L427-L429 HydrophobicContact CG-CD1 4.47Å; L429-K431 PolarHBondContact O-N 2.68Å; L429-Y432 PolarHBondContact O-N 2.86Å
430G85.7Confident85.4Confident65 Ų6565.2 Ų65.267%0.6734%0.34SS*.G310 helixtrans61.5-127.6177.400000111.7Y432 K433G430-Y432 PolarHBondContact O-N 3.3Å; G430-Y432 VanDerWaalsContact O-N 3.14Å; G430-K433 WeakPolarHBondContact O-CB 3.26Å; G430-K433 PolarHBondContact O-N 3.08Å
431K85.5Confident83.5Confident67 Ų6770.2 Ų70.229%0.29137%0.368SS..G310 helixtrans-56.8-30-179.470.3180-179.6179.20113.8D370 I378 L382 L429 K433D370-K431 IonicContact OD2-NZ 3.5Å; D370-K431 PolarHBondContact OD2-NZ 3.17Å; I378-K431 HydrophobicContact CG2-CD 4.13Å; L382-K431 HydrophobicContact CD1-CB 4.15Å; L382-K431 VanDerWaalsContact CD1-O 3.26Å; L382-K431 WeakPolarHBondContact CD1-O 3.39Å; L429-K431 PolarHBondContact O-N 2.68Å; K431-K433 PolarHBondContact O-N 2.8Å
432Y90.2Very high83.2Confident6 Ų671.8 Ų71.82%0.02438%0.377CS..G310 helixtrans-76.2-6.3-178.8-58.4-71.5000114.2L382 K424 E425 L429 G430 A434 I435L382-Y432 HydrophobicContact CD2-CD1 3.8Å; L382-Y432 HydrophobicContact CD2-CE1 4.22Å; K424-Y432 HydrophobicContact CB-CD2 3.77Å; K424-Y432 HydrophobicContact CB-CE2 3.94Å; E425-Y432 HydrophobicContact CB-CD1 3.79Å; E425-Y432 HydrophobicContact CB-CD2 4.26Å; E425-Y432 HydrophobicContact CB-CE1 4.02Å; E425-Y432 HydrophobicContact CB-CE2 4.46Å; E425-Y432 HydrophobicContact CB-CG 3.91Å; E425-Y432 HydrophobicContact CG-CD1 3.82Å; E425-Y432 HydrophobicContact CG-CE1 4.18Å; E425-Y432 HydrophobicContact CG-CG 4.3Å; L429-Y432 PolarHBondContact O-N 2.86Å; G430-Y432 PolarHBondContact O-N 3.3Å; G430-Y432 VanDerWaalsContact O-N 3.14Å; Y432-A434 PolarHBondContact O-N 2.84Å; Y432-I435 HydrophobicContact CD1-CD1 3.72Å; Y432-I435 HydrophobicContact CG-CD1 4.49Å; Y432-I435 WeakPolarHBondContact O-CB 3.46Å; Y432-I435 PolarHBondContact O-N 3.28Å; Y432-I435 VanDerWaalsContact O-N 3.1Å
433K88.2Confident82.8Confident104 Ų10469.7 Ų69.745%0.45238%0.375SS..Hα-helixtrans-56.6-39.7174.1-168.3177.3177.3-161.50111.3G428 G430 K431 I435 Y436 E437G428-K433 VanDerWaalsContact O-CA 3.31Å; G428-K433 WeakPolarHBondContact O-CA 3.37Å; G428-K433 WeakPolarHBondContact O-CB 3.33Å; G428-K433 PolarHBondContact O-N 3.16Å; G430-K433 WeakPolarHBondContact O-CB 3.26Å; G430-K433 PolarHBondContact O-N 3.08Å; K431-K433 PolarHBondContact O-N 2.8Å; K433-I435 PolarHBondContact O-N 3.12Å; K433-Y436 PolarHBondContact O-N 3.34Å; K433-E437 WeakPolarHBondContact CE-OE1 3.12Å; K433-E437 WeakPolarHBondContact CE-OE2 3.23Å; K433-E437 IonicContact NZ-OE1 3.35Å; K433-E437 IonicContact NZ-OE2 2.79Å; K433-E437 PolarHBondContact NZ-OE2 3.26Å; K433-E437 PolarHBondContact O-N 3.47Å
434A85.9Confident82.3Confident42 Ų4268.8 Ų68.835%0.34738%0.376SS..Hα-helixtrans-61.4-13177.700000114.9R386 Y432 E437R386-A434 WeakPolarHBondContact CD-O 3.12Å; Y432-A434 PolarHBondContact O-N 2.84Å; A434-E437 WeakPolarHBondContact CA-O 3.48Å
435I88Confident81.8Confident1 Ų168.2 Ų68.21%0.00538%0.378CS..Hα-helixtrans-77.4-31.9175.2-54.6-178.7000110.7L382 K385 R386 R389 E425 Y432 K433L382-I435 HydrophobicContact CD2-CD1 3.98Å; L382-I435 HydrophobicContact CD2-CG1 3.99Å; K385-I435 HydrophobicContact CB-CD1 4.2Å; K385-I435 HydrophobicContact CD-CD1 4.19Å; R386-I435 HydrophobicContact CB-CG2 4.42Å; R389-I435 VanDerWaalsContact NH1-CG2 3.27Å; E425-I435 HydrophobicContact CG-CD1 3.98Å; Y432-I435 HydrophobicContact CD1-CD1 3.72Å; Y432-I435 HydrophobicContact CG-CD1 4.49Å; Y432-I435 WeakPolarHBondContact O-CB 3.46Å; Y432-I435 PolarHBondContact O-N 3.28Å; Y432-I435 VanDerWaalsContact O-N 3.1Å; K433-I435 PolarHBondContact O-N 3.12Å
436Y86Confident81.1Confident55 Ų5569.5 Ų69.522%0.21639%0.388CS..Hα-helixtrans-104.4-32.5-177.5-57-89.4000113.3R389 R399 E425 N426 K433R389-Y436 VanDerWaalsContact NH1-CZ 3.32Å; R399-Y436 HydrophobicContact CB-CD1 3.87Å; R399-Y436 HydrophobicContact CB-CE1 3.86Å; R399-Y436 HydrophobicContact CG-CD1 4.09Å; R399-Y436 HydrophobicContact CG-CE1 3.71Å; E425-Y436 WeakPolarHBondContact O-CE2 3.42Å; E425-Y436 PolarHBondContact O-OH 3.3Å; N426-Y436 PolarHBondContact O-OH 3.35Å; K433-Y436 PolarHBondContact O-N 3.34Å
437E82.4Confident80.5Confident109 Ų10971 Ų7151%0.50940%0.397SS..SBendtrans-107125.3178.6-71.3176.4-138.800108.9K433 A434K433-E437 WeakPolarHBondContact CE-OE1 3.12Å; K433-E437 WeakPolarHBondContact CE-OE2 3.23Å; K433-E437 IonicContact NZ-OE1 3.35Å; K433-E437 IonicContact NZ-OE2 2.79Å; K433-E437 PolarHBondContact NZ-OE2 3.26Å; K433-E437 PolarHBondContact O-N 3.47Å; A434-E437 WeakPolarHBondContact CA-O 3.48Å
438N73Confident79.9Confident35 Ų3573.2 Ų73.219%0.18741%0.411CS..  trans-78.2126.6170.4-157.4-1.5000108.4R386 L440 D441R386-N438 PolarHBondContact NH1-OD1 2.79Å; R386-N438 PolarHBondContact NH2-ND2 3.35Å; N438-L440 PolarHBondContact O-N 3.35Å; N438-L440 VanDerWaalsContact O-N 3.16Å; N438-D441 HydrophobicContact CB-CB 3.79Å; N438-D441 VanDerWaalsContact CB-CG 3.48Å; N438-D441 WeakPolarHBondContact CB-OD2 3.18Å; N438-D441 VanDerWaalsContact ND2-CG 3.3Å; N438-D441 PolarHBondContact ND2-OD1 3.39Å; N438-D441 PolarHBondContact ND2-OD2 3.12Å; N438-D441 PolarHBondContact O-N 3.28Å; N438-D441 VanDerWaalsContact O-OXT 3.08Å
439P64Low79.2Confident113 Ų11378 Ų7873%0.73443%0.434SS*.THydrogen-bonded Turntrans-65.5-12.7170.924.2-31.7000113.3
440L60.1Low78.5Confident154 Ų15477.7 Ų77.781%0.80643%0.434SS*.THydrogen-bonded Turntrans-95.4-13.9178.1-61.6175.7000114.2N438N438-L440 PolarHBondContact O-N 3.35Å; N438-L440 VanDerWaalsContact O-N 3.16Å
441D53Low77.8Confident181 Ų18178.8 Ų78.897%0.96841%0.413SS*.  trans-97.90174.3-57.2-33.7000108.8N438N438-D441 HydrophobicContact CB-CB 3.79Å; N438-D441 VanDerWaalsContact CB-CG 3.48Å; N438-D441 WeakPolarHBondContact CB-OD2 3.18Å; N438-D441 VanDerWaalsContact ND2-CG 3.3Å; N438-D441 PolarHBondContact ND2-OD1 3.39Å; N438-D441 PolarHBondContact ND2-OD2 3.12Å; N438-D441 PolarHBondContact O-N 3.28Å; N438-D441 VanDerWaalsContact O-OXT 3.08Å

Retrieved 441 of 441 residues in 2259.2 ms (Link to these results)