A0A087XR51_POEFO Loading...

Heterogeneous nuclear ribonucleoprotein A/B

AlphaFold DB (A0A3B3VG66), UniProt , Accession A0A087XR51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 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
1M39.4Very low42.6Very low234 Ų234163.4 Ų163.4100%1.15382%0.819SS**  086.80-64.4-176.2-172.200105.7
2S41.4Very low42.2Very low89 Ų89158 Ų15862%0.62281%0.808SS**  69.2102.588.556.90000110.6
3E44.5Very low41.9Very low190 Ų190159.6 Ų159.689%0.88881%0.81SS**  95.9141.3103.5-84.6173.9121.900110
4A46.9Very low41.8Very low77 Ų77159.9 Ų159.964%0.63682%0.815SS**  cis-163.4136.8-3.700000108.8
5E49.7Very low41.2Very low170 Ų170154.1 Ų154.179%0.79481%0.811SS**  60.2121.1129.6-64.7-175.2139.100124.3
6Q47.4Very low41.1Very low183 Ų183154.3 Ų154.386%0.85581%0.806SS**  trans-70.6142.5144.6-62.8163.4-1600111
7Q41.3Very low40.9Very low158 Ų158154 Ų15474%0.73880%0.8SS**  trans-162.2115.1153.5-108.7172.414.600108.8
8Y37.5Very low40.9Very low210 Ų210150.1 Ų150.182%0.82479%0.794SS**  57.9115.993-82.1-83.7000115.6
9M39.3Very low40.9Very low179 Ų179150.6 Ų150.688%0.88279%0.791SS**  -173.5128.8114.8-108.6-174.1-102.600112.8
10E41.7Very low40.7Very low185 Ų185150 Ų15086%0.86479%0.788SS**  trans-92.2138.4165.2-178178.9-168.300107.3
11T39.3Very low40.6Very low122 Ų122151 Ų15175%0.74880%0.795SS**  trans-147.2117.8160.244.80000111.7
12S38.1Very low40.5Very low99 Ų99149.1 Ų149.169%0.69278%0.78SS**  trans24.6128.9140.959.40000120.6
13E38.6Very low40.5Very low179 Ų179152.7 Ų152.784%0.83679%0.793SS**  74.2144.370.5-128.1-178168.600115.5
14N39.6Very low39.9Very low163 Ų163146.4 Ų146.487%0.87278%0.779SS**  trans102.1119-176.6-57.6-25.2000114.1
15G33.4Very low39.3Very low74 Ų74146.5 Ų146.576%0.76379%0.787SS**  cis110.4105.415.800000110.9
16H39.8Very low38.4Very low157 Ų157142.2 Ų142.273%0.72779%0.789SS**  trans176.8109.9150.9-126.612.5000108.9
17E37.5Very low37.9Very low149 Ų149140.3 Ų140.370%0.69678%0.784SS**  66.5110.5100.4-69.1172.8-141.500112.3
18A41Very low37.6Very low84 Ų84139.3 Ų139.369%0.69478%0.784SS**  51.1138.884.200000111
19E40.5Very low37.3Very low159 Ų159132.2 Ų132.274%0.74378%0.775SS**  cis-167.1160.828.10.7-157.1137.300108.4
20D36.8Very low37Very low138 Ų138129.1 Ų129.174%0.73877%0.771SS**  trans41.9126.1147.3-57.8-28.3000122.8
21D39.9Very low36.7Very low172 Ų172124.3 Ų124.392%0.9276%0.763SS**  -149123.4122.9-105.2-37.1000112.4
22F36Very low36.4Very low194 Ų194126.7 Ų126.785%0.85177%0.765SS**  trans-81.9136.4175.9-147.8-102.9000108
23N41.6Very low36.2Very low165 Ų165129.1 Ų129.188%0.88277%0.771SS**  trans-146.5116.6144.5-145.32.7000111.2
24G32.2Very low35.9Very low58 Ų58128.2 Ų128.260%0.59877%0.772SS**  trans-102-176.7174.400000112.6
25G33.3Very low35.6Very low78 Ų78126 Ų12680%0.80477%0.767SS**  trans14199.8174.200000107.7
26G31.3Very low35.5Very low81 Ų81125.9 Ų125.984%0.83577%0.767SS**  72.4118.958.100000107.4
27N37.4Very low35.2Very low143 Ų143128 Ų12877%0.76578%0.777SS**  cis-175.3142.847.3-159.635000106.5
28D34Very low34.9Very low136 Ų136124.3 Ų124.373%0.72778%0.779SS**  66.1126.2110.9175.2-4.5000115.5
29G32.2Very low34.5Very low62 Ų62125.5 Ų125.564%0.63979%0.788SS**  cis170.5173.912.200000112.3
30S32.7Very low34.1Very low114 Ų114121.5 Ų121.580%0.79779%0.79SS**  trans40.1126.1151.455.10000123.7
31A35.4Very low34.1Very low84 Ų84122 Ų12269%0.69480%0.798SS**  93.7119.4122.300000121.7
32E33.3Very low34.3Very low171 Ų171121.6 Ų121.680%0.79980%0.796SS**  trans87.2116.9132.9-67.8179.5179.700122.5
33N34.8Very low34.7Very low151 Ų151117.8 Ų117.881%0.80779%0.791SS**  trans40.4119135.9-57.9-30.8000120.6
34D31.4Very low34.4Very low160 Ų160118 Ų11886%0.85679%0.792SS**  -158.7144126.2-162.643.2000111.8
35C33.4Very low34.6Very low115 Ų115118.2 Ų118.278%0.77779%0.794SS**  trans-107.4137.4-178.743.10000109.9
36G32Very low34.6Very low73 Ų73121.3 Ų121.375%0.75379%0.793SS**  trans-163.1121.9173.200000113.8
37E31.8Very low34.9Very low201 Ų201123 Ų12394%0.93979%0.791SS**  trans-53.4164.3177.8-62.5140.9112.400114
38G31.2Very low35.1Very low71 Ų71124.9 Ų124.973%0.73280%0.796SS**  cis165.1174.89.800000109.3
39A33.8Very low35.8Very low109 Ų109124.3 Ų124.390%0.90179%0.793SS**  trans89.582.6167.500000120
40G31.6Very low36.3Very low75 Ų75124.4 Ų124.477%0.77379%0.794SS**  64.2109.7109.800000121.2
41T36.6Very low36.6Very low148 Ų148121 Ų12191%0.90878%0.777SS**  -154.3129122.938.60000109.3
42D44.1Very low37.2Very low164 Ų164125.2 Ų125.288%0.87778%0.782SS**  trans-63.2168.5-175.9-85.3-53.4000115.8
43P44.7Very low38.2Very low115 Ų115118.5 Ų118.575%0.74775%0.751SS**  trans-99.1140.2-152.336.7-29.9000113
44D34.8Very low38.9Very low169 Ų169116.2 Ų116.290%0.90474%0.739SS**  trans-99.5109.7163.8-133.5-41.2000109
45G36.1Very low39.8Very low63 Ų63111.1 Ų111.165%0.64972%0.719SS**  trans-76.5136.6-176.200000111.7
46N34.4Very low40.5Very low143 Ų143110 Ų11077%0.76571%0.713SS**  trans-146.573.8145.3-157.510.6000109.5Q48N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.9Å
47S38.2Very low41.2Very low115 Ų115114.2 Ų114.280%0.80471%0.71SS**  trans-64.593.8164.7-60.30000108.6D49S47-D49 PolarHBondContact O-N 2.94Å
48Q41.1Very low42.2Very low184 Ų184107.5 Ų107.586%0.8670%0.695SS**  trans-66.975.5155.9-82.2176.5-36.900108.5N46N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.9Å
49D48.4Very low43Very low124 Ų124113.5 Ų113.566%0.66370%0.704SS**  trans-115.990.5164.6-172.147000109.4S47 K76S47-D49 PolarHBondContact O-N 2.94Å; D49-K76 IonicContact OD2-NZ 2.74Å
50G43.4Very low43.9Very low64 Ų64114 Ų11466%0.6669%0.688SS**  trans-155.149178.500000109.2Q52G50-Q52 PolarHBondContact O-N 3.32Å; G50-Q52 VanDerWaalsContact O-N 3.08Å
51G38Very low45.3Very low43 Ų43113.1 Ų113.144%0.44367%0.665SS.*  trans-50.9115.6170.700000109.5I53G51-I53 PolarHBondContact O-N 3.29Å; G51-I53 VanDerWaalsContact O-N 3.12Å
52Q49.1Very low46.7Very low171 Ų171109 Ų10980%0.79965%0.646SS**  trans-71.8103.9174.9-159.5171.7-2.200106G50 D54G50-Q52 PolarHBondContact O-N 3.32Å; G50-Q52 VanDerWaalsContact O-N 3.08Å; Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3.25Å
53I52.5Low48.1Very low31 Ų31101.5 Ų101.516%0.15961%0.607CS.*  trans-61.494.4171.148.3171.6000109.4G51 A55 D91 T93 F108G51-I53 PolarHBondContact O-N 3.29Å; G51-I53 VanDerWaalsContact O-N 3.12Å; I53-A55 PolarHBondContact O-N 3.39Å; I53-D91 HydrophobicContact CG2-CB 3.96Å; I53-D91 WeakPolarHBondContact CG2-OD2 3.38Å; I53-T93 HydrophobicContact CD1-CG2 4.22Å; I53-T93 WeakPolarHBondContact CD1-OG1 3.27Å; I53-T93 HydrophobicContact CG1-CG2 4.29Å; I53-T93 WeakPolarHBondContact CG1-OG1 3.15Å; I53-F108 HydrophobicContact CD1-CB 3.69Å; I53-F108 HydrophobicContact CD1-CG 4.44Å
54D49.9Very low50.1Low103 Ų10396.9 Ų96.955%0.55158%0.576SS**  trans-66.1100.9170.3-96.4-36.9000107.8Q52 S56Q52-D54 VanDerWaalsContact C-N 3.27Å; Q52-D54 PolarHBondContact O-N 3.25Å; D54-S56 PolarHBondContact O-N 2.58Å
55A50.4Low52.6Low53 Ų5388.9 Ų88.944%0.43853%0.533SS..THydrogen-bonded Turntrans-66.921.9173.500000113.3I53 K64I53-A55 PolarHBondContact O-N 3.39Å; A55-K64 VanDerWaalsContact CB-NZ 3.31Å
56S49.4Very low55.1Low92 Ų9288.8 Ų88.864%0.64352%0.515SS*.THydrogen-bonded Turntrans-126.6-3.8-171.845.70000114.3D54D54-S56 PolarHBondContact O-N 2.58Å
57K45.7Very low57.8Low161 Ų16182 Ų8270%0.748%0.478SS*.SBendtrans-97.1113.9170.2-82.9-175.4175.1178.70109.6
58G52.5Low60.2Low60 Ų6076.9 Ų76.962%0.61944%0.444SS*.THydrogen-bonded Turntrans-59.8161.3175.800000112.4
59E48.4Very low62.5Low196 Ų19669.5 Ų69.592%0.91642%0.417SS*.THydrogen-bonded Turntrans86-21.5-173.4-65.1-172.814100117.3
60E52Low64.4Low121 Ų12163.6 Ų63.657%0.56539%0.385SS*.THydrogen-bonded Turntrans-92.48.5176.5-63.1-175.4-162.500114.7A62 L110E60-A62 PolarHBondContact O-N 3.02Å; E60-L110 HydrophobicContact CB-CD1 4.23Å; E60-L110 WeakPolarHBondContact O-CD1 3.32Å; E60-L110 VanDerWaalsContact OE2-CD2 3.29Å; E60-L110 WeakPolarHBondContact OE2-CD2 3.29Å
61D62Low66.6Low55 Ų5561.6 Ų61.629%0.29436%0.361SS..THydrogen-bonded Turntrans-72-27-177-80.5-13.7000113.5K64 A140D61-K64 PolarHBondContact O-N 3.08Å; D61-A140 WeakPolarHBondContact OD1-CB 3.31Å; D61-A140 VanDerWaalsContact OD2-CB 3.24Å; D61-A140 WeakPolarHBondContact OD2-CB 3.48Å
62A65.7Low68.9Low61 Ų6165.4 Ų65.450%0.50436%0.363SS..THydrogen-bonded Turntrans-72.1-30.2-176.900000113.1E60E60-A62 PolarHBondContact O-N 3.02Å
63G74Confident70.7Confident7 Ų764 Ų647%0.07236%0.361CS..THydrogen-bonded Turntrans-88.8-7.8176.800000113.6F111G63-F111 PolarHBondContact O-N 3.04Å
64K85.8Confident72.3Confident19 Ų1962.8 Ų62.88%0.08335%0.354CS..EExtended strand (participates in β ladder)trans-87.8131.5-173.1-161.9177.5-171.8159.90112.3A55 D61 I109 L110 A138A55-K64 VanDerWaalsContact CB-NZ 3.31Å; D61-K64 PolarHBondContact O-N 3.08Å; K64-I109 CarbonylContact C-O 3.59Å; K64-I109 WeakPolarHBondContact CA-O 3.22Å; K64-L110 HydrophobicContact CB-CD1 4.08Å; K64-A138 HydrophobicContact CB-CB 3.88Å; K64-A138 HydrophobicContact CD-CB 4.04Å; K64-A138 HydrophobicContact CG-CB 3.61Å; K64-A138 VanDerWaalsContact O-CB 3.24Å; K64-A138 WeakPolarHBondContact O-CB 3.5Å; K64-A138 PolarHBondContact O-N 2.81Å
65M87.3Confident74.1Confident0 Ų060 Ų600%034%0.343CS..EExtended strand (participates in β ladder)trans-124.3136.7-179-78-70.5-87.400111F108 I109 F111 V117 V120 L121 P135 R137M65-F108 CarbonylContact O-C 3.57Å; M65-F108 VanDerWaalsContact O-CA 3.22Å; M65-F108 WeakPolarHBondContact O-CA 3.41Å; M65-I109 HydrophobicContact CB-CB 4.45Å; M65-I109 PolarHBondContact N-O 3.01Å; M65-I109 PolarHBondContact O-N 2.97Å; M65-F111 HydrophobicContact CG-CD2 4.27Å; M65-F111 HydrophobicContact CG-CE2 4.2Å; M65-V117 HydrophobicContact CE-CG1 4Å; M65-V117 HydrophobicContact CG-CB 4.11Å; M65-V117 HydrophobicContact CG-CG1 3.74Å; M65-V117 HydrophobicContact CG-CG2 3.56Å; M65-V117 HydrophobicContact SD-CB 4.23Å; M65-V117 HydrophobicContact SD-CG1 3.25Å; M65-V117 WeakPolarHBondContact SD-CG1 3.43Å; M65-V117 HydrophobicContact SD-CG2 4.28Å; M65-V120 HydrophobicContact CE-CB 4.25Å; M65-V120 HydrophobicContact CE-CG1 3.79Å; M65-L121 HydrophobicContact CE-CD1 4.48Å; M65-L121 HydrophobicContact CE-CD2 3.81Å; M65-L121 HydrophobicContact CE-CG 3.89Å; M65-P135 HydrophobicContact CE-CB 3.8Å; M65-R137 WeakPolarHBondContact SD-CA 3.25Å; M65-R137 HydrophobicContact SD-CB 4.5Å; M65-R137 HydrophobicContact SD-CG 4.31Å; M65-R137 PolarHBondContact SD-N 3.38Å
66F89.6Confident75.9Confident61 Ų6160.7 Ų60.727%0.26834%0.336SS..EExtended strand (participates in β ladder)trans-89.7133166.4170.1-92.7000108.3F106 F108 P135 K136 A138F66-F106 HydrophobicContact CD2-CD2 4.45Å; F66-F106 HydrophobicContact CE2-CB 3.86Å; F66-F106 AromaticContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CE2 4.41Å; F66-F106 AromaticContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CZ-CB 3.84Å; F66-F106 HydrophobicContact CZ-CD2 4.36Å; F66-F106 HydrophobicContact CZ-CG 4.29Å; F66-F108 HydrophobicContact CB-CD1 4.31Å; F66-F108 HydrophobicContact CB-CE1 4.17Å; F66-F108 HydrophobicContact CD2-CD1 4.35Å; F66-F108 AromaticContact CD2-CE1 3.77Å; F66-F108 HydrophobicContact CD2-CE1 3.77Å; F66-F108 AromaticContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CG-CE1 4.48Å; F66-P135 CarbonylContact O-C 3.59Å; F66-P135 VanDerWaalsContact O-CA 3.3Å; F66-P135 WeakPolarHBondContact O-CA 3.3Å; F66-K136 HydrophobicContact CD1-CB 4.35Å; F66-K136 PolarHBondContact N-O 3.38Å; F66-K136 PolarHBondContact O-N 3.33Å; F66-K136 VanDerWaalsContact O-O 3.08Å; F66-A138 HydrophobicContact CB-CB 4.47Å
67V89.8Confident77.8Confident0 Ų063.1 Ų63.10%034%0.335CS..EExtended strand (participates in β ladder)trans-121.5108.7176.1-171.80000108.7L70 F83 F106 G107 I109 I133 P135V67-L70 HydrophobicContact CB-CD2 4.5Å; V67-L70 HydrophobicContact CG1-CD2 3.63Å; V67-L70 HydrophobicContact CG1-CG 4.21Å; V67-F83 HydrophobicContact CB-CZ 4.39Å; V67-F83 HydrophobicContact CG1-CE2 3.99Å; V67-F83 HydrophobicContact CG1-CZ 3.8Å; V67-F83 HydrophobicContact CG2-CE1 4.38Å; V67-F83 HydrophobicContact CG2-CE2 3.9Å; V67-F83 HydrophobicContact CG2-CZ 3.62Å; V67-F106 CarbonylContact O-C 3.43Å; V67-F106 VanDerWaalsContact O-CA 3.23Å; V67-F106 WeakPolarHBondContact O-CA 3.39Å; V67-G107 PolarHBondContact N-O 2.85Å; V67-G107 PolarHBondContact O-N 3.45Å; V67-I109 HydrophobicContact CG2-CD1 3.63Å; V67-I109 HydrophobicContact CG2-CG1 3.93Å; V67-I133 HydrophobicContact CG1-CB 4.11Å; V67-I133 HydrophobicContact CG1-CD1 3.98Å; V67-I133 HydrophobicContact CG1-CG1 4.35Å; V67-P135 HydrophobicContact CG2-CB 4.45Å
68G90.2Very high79.9Confident9 Ų958.3 Ų58.39%0.09332%0.317CS..EExtended strand (participates in β ladder)trans-95162.1175.700000112.5L70 I133 D134G68-L70 VanDerWaalsContact C-N 3.35Å; G68-I133 CarbonylContact O-C 3.55Å; G68-I133 VanDerWaalsContact O-CA 3.29Å; G68-I133 WeakPolarHBondContact O-CA 3.46Å; G68-D134 PolarHBondContact N-O 2.63Å; G68-D134 PolarHBondContact O-N 2.95Å
69G88.3Confident81.6Confident28 Ų2855.4 Ų55.429%0.28929%0.288SS..SBendtrans78.716.617300000114.6G105 R131G69-G105 PolarHBondContact N-O 3.37Å; G69-R131 WeakPolarHBondContact O-CD 3.39Å; G69-R131 WeakPolarHBondContact O-CG 3.2Å; G69-R131 PolarHBondContact O-NE 3.22Å
70L89.2Confident83.6Confident0 Ų050.3 Ų50.30%026%0.263CS..  trans-61.6150.2175-59.3177.7000110.9V67 G68 T74 L79 I94 G105 L128 I133V67-L70 HydrophobicContact CB-CD2 4.5Å; V67-L70 HydrophobicContact CG1-CD2 3.63Å; V67-L70 HydrophobicContact CG1-CG 4.21Å; G68-L70 VanDerWaalsContact C-N 3.35Å; L70-T74 HydrophobicContact CD2-CG2 4.38Å; L70-L79 HydrophobicContact CD1-CD1 3.52Å; L70-L79 HydrophobicContact CD2-CD1 3.41Å; L70-L79 VanDerWaalsContact CD2-CD1 3.41Å; L70-L79 HydrophobicContact CG-CD1 4.11Å; L70-I94 HydrophobicContact CD1-CG1 4.49Å; L70-G105 PolarHBondContact N-O 3Å; L70-G105 WeakPolarHBondContact O-CA 3.4Å; L70-L128 HydrophobicContact CD2-CD2 4.08Å; L70-I133 HydrophobicContact CD2-CB 4.46Å; L70-I133 HydrophobicContact CD2-CG2 3.84Å
71S88.5Confident85.4Confident22 Ų2248.8 Ų48.815%0.15426%0.258CS..  trans-66.6157.8169.4-164.90000110D73 T74S71-D73 PolarHBondContact O-N 3.32Å; S71-T74 WeakPolarHBondContact CA-OG1 3.24Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.41Å; S71-T74 PolarHBondContact N-OG1 3.26Å; S71-T74 VanDerWaalsContact N-OG1 3.12Å; S71-T74 PolarHBondContact O-N 3.12Å; S71-T74 PolarHBondContact O-OG1 3.16Å
72W87.2Confident86.7Confident124 Ų12447.9 Ų47.947%0.4725%0.251SS..THydrogen-bonded Turntrans-68.5-24.8176.2-64-40.7000112.4S103W72-S103 VanDerWaalsContact CD1-O 3.32Å; W72-S103 VanDerWaalsContact O-CB 3.3Å; W72-S103 WeakPolarHBondContact O-CB 3.3Å
73D86Confident87.8Confident141 Ų14145 Ų4575%0.75423%0.227SC*.THydrogen-bonded Turntrans-95.4-3.4-178.6-50.6-52.3000112.5S71 S75S71-D73 PolarHBondContact O-N 3.32Å; D73-S75 PolarHBondContact O-N 3.08Å
74T86.1Confident88.5Confident5 Ų547.4 Ų47.43%0.03124%0.243CC..  trans-64.2125.7177.8-60.10000110L70 S71 D78 L79 I94 L128 D129L70-T74 HydrophobicContact CD2-CG2 4.38Å; S71-T74 WeakPolarHBondContact CA-OG1 3.24Å; S71-T74 VanDerWaalsContact CB-OG1 3.23Å; S71-T74 WeakPolarHBondContact CB-OG1 3.41Å; S71-T74 PolarHBondContact N-OG1 3.26Å; S71-T74 VanDerWaalsContact N-OG1 3.12Å; S71-T74 PolarHBondContact O-N 3.12Å; S71-T74 PolarHBondContact O-OG1 3.16Å; T74-D78 HydrophobicContact CG2-CB 4.42Å; T74-L79 HydrophobicContact CG2-CD1 4.41Å; T74-I94 HydrophobicContact CG2-CD1 4.38Å; T74-I94 WeakPolarHBondContact O-CD1 2.92Å; T74-L128 HydrophobicContact CG2-CD2 3.48Å; T74-L128 VanDerWaalsContact CG2-CD2 3.48Å; T74-L128 HydrophobicContact CG2-CG 4.45Å; T74-D129 WeakPolarHBondContact CB-OD2 3.24Å; T74-D129 PolarHBondContact OG1-OD2 3.42Å
75S88.4Confident88.7Confident46 Ų4654.1 Ų54.132%0.32227%0.272SS..  trans-95.4165.4178.278.30000112.9D73 K77 D78 L79D73-S75 PolarHBondContact O-N 3.08Å; S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 PolarHBondContact OG-N 3.38Å; S75-D78 VanDerWaalsContact CB-OD2 3.29Å; S75-D78 WeakPolarHBondContact CB-OD2 3.31Å; S75-D78 PolarHBondContact N-OD2 2.78Å; S75-D78 PolarHBondContact O-N 3.2Å; S75-D78 PolarHBondContact OG-N 2.98Å; S75-D78 PolarHBondContact OG-OD2 2.97Å; S75-L79 PolarHBondContact O-N 2.85Å; S75-L79 VanDerWaalsContact O-N 3.16Å
76K88.4Confident88.7Confident67 Ų6755.4 Ų55.429%0.29128%0.277SS..Hα-helixtrans-55.5-36.1173.4-177.3179.1172.51690110.9D49 K80 D91 C92D49-K76 IonicContact OD2-NZ 2.74Å; K76-K80 WeakPolarHBondContact O-CB 3.27Å; K76-K80 PolarHBondContact O-N 3.08Å; K76-D91 IonicContact NZ-OD1 3.9Å; K76-D91 PolarHBondContact NZ-OD1 3.03Å; K76-C92 VanDerWaalsContact CD-O 3.24Å; K76-C92 WeakPolarHBondContact CD-O 3.25Å; K76-C92 WeakPolarHBondContact CE-O 3.23Å; K76-C92 WeakPolarHBondContact CE-SG 3.45Å; K76-C92 HydrophobicContact CG-CB 4.18Å; K76-C92 WeakPolarHBondContact CG-SG 3.49Å; K76-C92 PolarHBondContact NZ-O 3.44Å
77K89.6Confident88.5Confident143 Ų14353.1 Ų53.162%0.62227%0.272SS*.Hα-helixtrans-67.7-49.3-179.7-172.7-178.8176.6-175.40111.7S75 L79 K80 D81S75-K77 PolarHBondContact O-N 3.21Å; S75-K77 PolarHBondContact OG-N 3.38Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.43Å; K77-K80 WeakPolarHBondContact O-CB 3.23Å; K77-K80 PolarHBondContact O-N 3Å; K77-K80 VanDerWaalsContact O-N 3.08Å; K77-D81 WeakPolarHBondContact O-CB 3.01Å; K77-D81 VanDerWaalsContact O-CG 3.25Å; K77-D81 PolarHBondContact O-N 3.29Å
78D89.6Confident88.5Confident59 Ų5958.4 Ų58.432%0.31630%0.296SS..Hα-helixtrans-61.5-39.5-179.6-51.3-47.6000111.3T74 S75 Y82T74-D78 HydrophobicContact CG2-CB 4.42Å; S75-D78 VanDerWaalsContact CB-OD2 3.29Å; S75-D78 WeakPolarHBondContact CB-OD2 3.31Å; S75-D78 PolarHBondContact N-OD2 2.78Å; S75-D78 PolarHBondContact O-N 3.2Å; S75-D78 PolarHBondContact OG-N 2.98Å; S75-D78 PolarHBondContact OG-OD2 2.97Å; D78-Y82 VanDerWaalsContact O-CB 3.31Å; D78-Y82 WeakPolarHBondContact O-CB 3.27Å; D78-Y82 PolarHBondContact O-N 3.22Å
79L88.5Confident88.5Confident0 Ų058.3 Ų58.30%029%0.294CS..Hα-helixtrans-61.4-50.9173.9-159.9100.3000110.6L70 T74 S75 K77 Y82 F83 C92 I109 L128L70-L79 HydrophobicContact CD1-CD1 3.52Å; L70-L79 HydrophobicContact CD2-CD1 3.41Å; L70-L79 VanDerWaalsContact CD2-CD1 3.41Å; L70-L79 HydrophobicContact CG-CD1 4.11Å; T74-L79 HydrophobicContact CG2-CD1 4.41Å; S75-L79 PolarHBondContact O-N 2.85Å; S75-L79 VanDerWaalsContact O-N 3.16Å; K77-L79 VanDerWaalsContact C-N 3.25Å; K77-L79 PolarHBondContact O-N 3.43Å; L79-Y82 PolarHBondContact O-N 3.27Å; L79-F83 HydrophobicContact CD1-CE2 4.21Å; L79-F83 HydrophobicContact CG-CD2 4.05Å; L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.36Å; L79-F83 PolarHBondContact O-N 2.95Å; L79-C92 HydrophobicContact CD2-CB 3.76Å; L79-I109 HydrophobicContact CD1-CD1 4.41Å; L79-I109 HydrophobicContact CD2-CD1 3.39Å; L79-I109 HydrophobicContact CD2-CG1 3.35Å; L79-I109 HydrophobicContact CG-CD1 3.68Å; L79-I109 HydrophobicContact CG-CG1 4.21Å; L79-L128 HydrophobicContact CD1-CD2 4.33Å
80K89.6Confident88.4Confident89 Ų8960.9 Ų60.939%0.38730%0.304SS..Hα-helixtrans-58.6-51.7178.3-168.8174.1-178.6174.10111.1K76 K77 Y82 F83 S84 V89K76-K80 WeakPolarHBondContact O-CB 3.27Å; K76-K80 PolarHBondContact O-N 3.08Å; K77-K80 WeakPolarHBondContact O-CB 3.23Å; K77-K80 PolarHBondContact O-N 3Å; K77-K80 VanDerWaalsContact O-N 3.08Å; K80-Y82 VanDerWaalsContact C-N 3.28Å; K80-Y82 PolarHBondContact O-N 2.95Å; K80-F83 PolarHBondContact O-N 2.69Å; K80-S84 VanDerWaalsContact O-CB 3.27Å; K80-S84 WeakPolarHBondContact O-CB 3.49Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.35Å; K80-V89 HydrophobicContact CG-CB 4.17Å; K80-V89 HydrophobicContact CG-CG1 4.24Å
81D90.3Very high88.2Confident88 Ų8862.1 Ų62.147%0.47131%0.31SS..Hα-helixtrans-60.4-37-177.6-67.9-11.8000112K77K77-D81 WeakPolarHBondContact O-CB 3.01Å; K77-D81 VanDerWaalsContact O-CG 3.25Å; K77-D81 PolarHBondContact O-N 3.29Å
82Y89.5Confident88.2Confident36 Ų3661.1 Ų61.114%0.14130%0.304CS..Hα-helixtrans-68.8-49.2175.5-177.3-96.9000112.4D78 L79 K80 S84 K85 F86 H126 R127 L128 I133D78-Y82 VanDerWaalsContact O-CB 3.31Å; D78-Y82 WeakPolarHBondContact O-CB 3.27Å; D78-Y82 PolarHBondContact O-N 3.22Å; L79-Y82 PolarHBondContact O-N 3.27Å; K80-Y82 VanDerWaalsContact C-N 3.28Å; K80-Y82 PolarHBondContact O-N 2.95Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; Y82-K85 WeakPolarHBondContact O-CB 3.23Å; Y82-K85 WeakPolarHBondContact O-CG 3.45Å; Y82-K85 PolarHBondContact O-N 2.84Å; Y82-F86 HydrophobicContact CD1-CE2 4.48Å; Y82-F86 HydrophobicContact CE1-CE2 4.04Å; Y82-H126 HydrophobicContact CE1-CB 4.27Å; Y82-H126 AromaticContact CE1-ND1 3.78Å; Y82-H126 AromaticContact CZ-ND1 3.92Å; Y82-H126 WeakPolarHBondContact OH-CA 3.47Å; Y82-H126 WeakPolarHBondContact OH-CB 3.49Å; Y82-H126 PolarHBondContact OH-ND1 2.79Å; Y82-H126 VanDerWaalsContact OH-ND1 3.15Å; Y82-R127 VanDerWaalsContact CE2-O 3.27Å; Y82-R127 WeakPolarHBondContact CE2-O 3.36Å; Y82-R127 PolarHBondContact OH-N 3.32Å; Y82-L128 HydrophobicContact CD2-CD1 3.8Å; Y82-L128 HydrophobicContact CG-CD1 3.74Å; Y82-I133 HydrophobicContact CD1-CD1 4.18Å; Y82-I133 HydrophobicContact CE1-CD1 3.82Å
83F88.8Confident88.2Confident0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-77.2-20.2-175.9-77.5-78.4000113.3V67 L79 K80 K85 F86 G87 V89 I109 F111 V120 I133 P135V67-F83 HydrophobicContact CB-CZ 4.39Å; V67-F83 HydrophobicContact CG1-CE2 3.99Å; V67-F83 HydrophobicContact CG1-CZ 3.8Å; V67-F83 HydrophobicContact CG2-CE1 4.38Å; V67-F83 HydrophobicContact CG2-CE2 3.9Å; V67-F83 HydrophobicContact CG2-CZ 3.62Å; L79-F83 HydrophobicContact CD1-CE2 4.21Å; L79-F83 HydrophobicContact CG-CD2 4.05Å; L79-F83 HydrophobicContact CG-CE2 4.15Å; L79-F83 VanDerWaalsContact O-CD2 3.23Å; L79-F83 WeakPolarHBondContact O-CD2 3.36Å; L79-F83 PolarHBondContact O-N 2.95Å; K80-F83 PolarHBondContact O-N 2.69Å; F83-K85 PolarHBondContact O-N 2.78Å; F83-K85 VanDerWaalsContact O-N 3.08Å; F83-F86 HydrophobicContact CD1-CD2 4.45Å; F83-F86 PolarHBondContact O-N 3.48Å; F83-G87 PolarHBondContact O-N 3.11Å; F83-V89 HydrophobicContact CB-CG2 3.91Å; F83-I109 HydrophobicContact CB-CD1 3.94Å; F83-I109 HydrophobicContact CD1-CD1 4.01Å; F83-I109 HydrophobicContact CD2-CD1 2.98Å; F83-I109 HydrophobicContact CD2-CG1 4.49Å; F83-I109 HydrophobicContact CE1-CD1 4.25Å; F83-I109 HydrophobicContact CE2-CD1 3.31Å; F83-I109 HydrophobicContact CG-CD1 3.36Å; F83-I109 HydrophobicContact CZ-CD1 3.93Å; F83-F111 HydrophobicContact CB-CE1 4.3Å; F83-F111 HydrophobicContact CB-CZ 3.87Å; F83-F111 HydrophobicContact CD1-CE2 4.48Å; F83-F111 AromaticContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CG-CZ 4.29Å; F83-V120 HydrophobicContact CD1-CG1 4.39Å; F83-V120 HydrophobicContact CD1-CG2 4Å; F83-V120 HydrophobicContact CE1-CG1 3.83Å; F83-V120 HydrophobicContact CE1-CG2 4.26Å; F83-I133 HydrophobicContact CE2-CD1 3.83Å; F83-I133 HydrophobicContact CZ-CD1 3.58Å; F83-P135 HydrophobicContact CE1-CB 4.32Å; F83-P135 HydrophobicContact CZ-CB 4.4Å
84S88.8Confident88.4Confident58 Ų5850.8 Ų50.841%0.40626%0.258SS..THydrogen-bonded Turntrans-57.4-19.6170.9-78.70000113.9K80 Y82 F86 G87K80-S84 VanDerWaalsContact O-CB 3.27Å; K80-S84 WeakPolarHBondContact O-CB 3.49Å; K80-S84 PolarHBondContact O-N 3.08Å; K80-S84 PolarHBondContact O-OG 3.35Å; Y82-S84 VanDerWaalsContact C-N 3.33Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.28Å; S84-G87 VanDerWaalsContact CA-O 3.27Å; S84-G87 WeakPolarHBondContact CA-O 3.37Å
85K88.9Confident88.4Confident160 Ų16054.5 Ų54.570%0.69627%0.274SS*.THydrogen-bonded Turntrans-70-23.4174.6-61.7177-176.6177.40113.6Y82 F83Y82-K85 WeakPolarHBondContact O-CB 3.23Å; Y82-K85 WeakPolarHBondContact O-CG 3.45Å; Y82-K85 PolarHBondContact O-N 2.84Å; F83-K85 PolarHBondContact O-N 2.78Å; F83-K85 VanDerWaalsContact O-N 3.08Å
86F86.8Confident88.4Confident27 Ų2757.7 Ų57.712%0.11829%0.285CS..THydrogen-bonded Turntrans-102.5-22.3-177-56.7-86.4000112.1Y82 F83 S84 S116 V120 Q123 H126Y82-F86 HydrophobicContact CD1-CE2 4.48Å; Y82-F86 HydrophobicContact CE1-CE2 4.04Å; F83-F86 HydrophobicContact CD1-CD2 4.45Å; F83-F86 PolarHBondContact O-N 3.48Å; S84-F86 VanDerWaalsContact C-N 3.28Å; S84-F86 PolarHBondContact O-N 3.28Å; F86-S116 PolarHBondContact O-OG 2.85Å; F86-V120 HydrophobicContact CB-CG2 3.54Å; F86-V120 HydrophobicContact CD1-CG2 4.1Å; F86-V120 HydrophobicContact CD2-CG2 3.98Å; F86-V120 HydrophobicContact CG-CG2 3.61Å; F86-Q123 VanDerWaalsContact CE1-CD 3.45Å; F86-Q123 HydrophobicContact CE1-CG 4.2Å; F86-Q123 VanDerWaalsContact CZ-OE1 3.26Å; F86-H126 AromaticContact CZ-CE1 3.73Å; F86-H126 AromaticContact CZ-ND1 3.94Å
87G86.9Confident88.2Confident14 Ų1457.3 Ų57.314%0.14429%0.287CS..SBendtrans177.3169.4-179.600000114.4F83 S84 V89 S116F83-G87 PolarHBondContact O-N 3.11Å; S84-G87 VanDerWaalsContact CA-O 3.27Å; S84-G87 WeakPolarHBondContact CA-O 3.37Å; G87-V89 PolarHBondContact O-N 3.37Å; G87-S116 WeakPolarHBondContact CA-OG 3.3Å
88E88.8Confident87.7Confident111 Ų11160 Ų6052%0.51930%0.301SS..  trans-69.2116173.2-166.7-179.3152.400109.8F111 K112E88-F111 WeakPolarHBondContact O-CA 3.4Å; E88-K112 HydrophobicContact CB-CB 4.22Å; E88-K112 HydrophobicContact CB-CD 4.3Å; E88-K112 HydrophobicContact CG-CD 4.19Å; E88-K112 PolarHBondContact O-N 3.39Å; E88-K112 WeakPolarHBondContact OE1-CD 3.23Å; E88-K112 IonicContact OE1-NZ 2.79Å; E88-K112 PolarHBondContact OE1-NZ 2.87Å; E88-K112 VanDerWaalsContact OE2-CD 3.23Å; E88-K112 WeakPolarHBondContact OE2-CD 3.29Å; E88-K112 IonicContact OE2-NZ 2.85Å; E88-K112 PolarHBondContact OE2-NZ 2.85Å
89V89.8Confident87.2Confident7 Ų766 Ų664%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-88.5111.7177.2176.30000108.9K80 F83 G87 D91 C92 I109 L110 F111K80-V89 HydrophobicContact CG-CB 4.17Å; K80-V89 HydrophobicContact CG-CG1 4.24Å; F83-V89 HydrophobicContact CB-CG2 3.91Å; G87-V89 PolarHBondContact O-N 3.37Å; V89-D91 WeakPolarHBondContact CG1-O 3.39Å; V89-C92 HydrophobicContact CG1-CB 4.35Å; V89-I109 HydrophobicContact CB-CG2 4.43Å; V89-I109 HydrophobicContact CG1-CG2 3.63Å; V89-I109 HydrophobicContact CG2-CG2 3.99Å; V89-L110 CarbonylContact C-O 3.52Å; V89-F111 HydrophobicContact CG2-CD1 3.96Å; V89-F111 HydrophobicContact CG2-CE1 3.61Å; V89-F111 HydrophobicContact CG2-CZ 4.28Å
90T87.8Confident86.9Confident82 Ų8270.5 Ų70.550%0.50336%0.355SS..EExtended strand (participates in β ladder)trans-69.5-49.1175.7-51.40000110.6L110 K112T90-L110 HydrophobicContact CG2-CD2 4.33Å; T90-L110 PolarHBondContact N-O 2.91Å; T90-K112 WeakPolarHBondContact OG1-CA 3.38Å; T90-K112 PolarHBondContact OG1-N 2.89Å
91D84.6Confident86.5Confident25 Ų2568.9 Ų68.913%0.13436%0.364CS..EExtended strand (participates in β ladder)trans-148.7157.5178.6-157.84.3000112.5I53 K76 V89 I109 L110I53-D91 HydrophobicContact CG2-CB 3.96Å; I53-D91 WeakPolarHBondContact CG2-OD2 3.38Å; K76-D91 IonicContact NZ-OD1 3.9Å; K76-D91 PolarHBondContact NZ-OD1 3.03Å; V89-D91 WeakPolarHBondContact CG1-O 3.39Å; D91-I109 CarbonylContact O-C 3.52Å; D91-L110 HydrophobicContact CB-CB 4.33Å; D91-L110 PolarHBondContact N-O 3.17Å; D91-L110 PolarHBondContact O-N 3.4Å
92C87.9Confident86.1Confident2 Ų270.9 Ų70.91%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-145.2142175.441.80000110.7K76 L79 V89 F108 I109K76-C92 VanDerWaalsContact CD-O 3.24Å; K76-C92 WeakPolarHBondContact CD-O 3.25Å; K76-C92 WeakPolarHBondContact CE-O 3.23Å; K76-C92 WeakPolarHBondContact CE-SG 3.45Å; K76-C92 HydrophobicContact CG-CB 4.18Å; K76-C92 WeakPolarHBondContact CG-SG 3.49Å; K76-C92 PolarHBondContact NZ-O 3.44Å; L79-C92 HydrophobicContact CD2-CB 3.76Å; V89-C92 HydrophobicContact CG1-CB 4.35Å; C92-F108 CarbonylContact C-O 3.56Å; C92-F108 WeakPolarHBondContact CA-O 3.48Å; C92-I109 HydrophobicContact CB-CG1 4.35Å
93T87.1Confident85.9Confident30 Ų3069.6 Ų69.618%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-143.1123.9-177.5-68.90000109.8I53 K95 G107 F108I53-T93 HydrophobicContact CD1-CG2 4.22Å; I53-T93 WeakPolarHBondContact CD1-OG1 3.27Å; I53-T93 HydrophobicContact CG1-CG2 4.29Å; I53-T93 WeakPolarHBondContact CG1-OG1 3.15Å; T93-K95 HydrophobicContact CG2-CD 4.44Å; T93-G107 CarbonylContact O-C 3.46Å; T93-G107 WeakPolarHBondContact O-CA 3.24Å; T93-F108 PolarHBondContact N-O 3.31Å; T93-F108 PolarHBondContact O-N 3.12Å
94I89.6Confident85.7Confident17 Ų1777 Ų779%0.08739%0.389CS..EExtended strand (participates in β ladder)trans-95.9130.2173.8-60.6-178.4000108.2L70 T74 M96L70-I94 HydrophobicContact CD1-CG1 4.49Å; T74-I94 HydrophobicContact CG2-CD1 4.38Å; T74-I94 WeakPolarHBondContact O-CD1 2.92Å; I94-M96 PolarHBondContact O-N 3.23Å
95K86.9Confident85.6Confident84 Ų8474.7 Ų74.737%0.36537%0.374SS..EExtended strand (participates in β ladder)trans-83.1113.8176.9-68-58.1-173.6-1740109T93 R104 F106 F108T93-K95 HydrophobicContact CG2-CD 4.44Å; K95-R104 VanDerWaalsContact O-CB 3.25Å; K95-R104 WeakPolarHBondContact O-CB 3.46Å; K95-R104 WeakPolarHBondContact O-CG 3.37Å; K95-R104 PolarHBondContact O-N 2.77Å; K95-F106 HydrophobicContact CB-CD2 4.09Å; K95-F106 HydrophobicContact CB-CE1 4.47Å; K95-F106 HydrophobicContact CB-CE2 3.58Å; K95-F106 HydrophobicContact CB-CZ 3.79Å; K95-F106 HydrophobicContact CG-CD2 4.16Å; K95-F106 HydrophobicContact CG-CE2 3.57Å; K95-F106 HydrophobicContact CG-CZ 4.17Å; K95-F106 PolarHBondContact N-O 2.89Å; K95-F108 HydrophobicContact CG-CD2 4.29Å; K95-F108 HydrophobicContact CG-CE2 4.06Å
96M87.4Confident85.7Confident112 Ų11269.1 Ų69.155%0.55235%0.35SS*.EExtended strand (participates in β ladder)trans-99.1151.5174-58174.7-174.600109.6I94 R102I94-M96 PolarHBondContact O-N 3.23Å; M96-R102 CarbonylContact C-O 3.55Å; M96-R102 WeakPolarHBondContact CA-O 3.29Å
97D84.3Confident85.9Confident60 Ų6067.8 Ų67.832%0.32134%0.344SS..  trans-71.4125.6171.6176.811.4000109.3Q99 T100 G101 R102 R104D97-Q99 PolarHBondContact O-N 3.15Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; D97-Q99 VanDerWaalsContact OD1-N 3.08Å; D97-T100 WeakPolarHBondContact CB-OG1 3.47Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D97-T100 PolarHBondContact OD2-OG1 3.46Å; D97-G101 VanDerWaalsContact O-CA 3.25Å; D97-G101 WeakPolarHBondContact O-CA 3.49Å; D97-G101 PolarHBondContact O-N 2.82Å; D97-R102 PolarHBondContact N-O 2.87Å; D97-R104 HydrophobicContact CB-CG 4.24Å
98Q80.4Confident86.1Confident199 Ų19969.3 Ų69.393%0.9335%0.347SS*.THydrogen-bonded Turntrans-68.7-22.7-177.8-73.8-174.7-24.600113.1
99Q78.7Confident86.1Confident184 Ų18464 Ų6486%0.8632%0.323SS*.THydrogen-bonded Turntrans-86.5-38.1-179.6-63.5-170.812.900112.5D97D97-Q99 PolarHBondContact O-N 3.15Å; D97-Q99 PolarHBondContact OD1-N 3.05Å; D97-Q99 VanDerWaalsContact OD1-N 3.08Å
100T82.6Confident86.1Confident96 Ų9664.5 Ų64.559%0.58933%0.325SS*.THydrogen-bonded Turntrans-107.6-10.4-173.263.60000113.7D97 R102D97-T100 WeakPolarHBondContact CB-OG1 3.47Å; D97-T100 VanDerWaalsContact CG-OG1 3.31Å; D97-T100 WeakPolarHBondContact OD2-CG2 3.38Å; D97-T100 PolarHBondContact OD2-OG1 3.46Å; T100-R102 PolarHBondContact O-N 2.78Å; T100-R102 VanDerWaalsContact O-N 3.11Å; T100-R102 PolarHBondContact OG1-N 2.85Å
101G80.9Confident86.2Confident55 Ų5560.8 Ų60.857%0.56730%0.302SS*.  trans67.61.5-173.700000114D97D97-G101 VanDerWaalsContact O-CA 3.25Å; D97-G101 WeakPolarHBondContact O-CA 3.49Å; D97-G101 PolarHBondContact O-N 2.82Å
102R81.9Confident86.3Confident129 Ų12965.4 Ų65.449%0.48732%0.32SS..  trans-81.3142-175.8-163.3-179.6-166177.311.6111M96 D97 T100 R104M96-R102 CarbonylContact C-O 3.55Å; M96-R102 WeakPolarHBondContact CA-O 3.29Å; D97-R102 PolarHBondContact N-O 2.87Å; T100-R102 PolarHBondContact O-N 2.78Å; T100-R102 VanDerWaalsContact O-N 3.11Å; T100-R102 PolarHBondContact OG1-N 2.85Å; R102-R104 PolarHBondContact O-N 3.15Å
103S86.1Confident86.2Confident10 Ų1069.6 Ų69.67%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-56.5133.9170.5174.60000110.9W72 G105W72-S103 VanDerWaalsContact CD1-O 3.32Å; W72-S103 VanDerWaalsContact O-CB 3.3Å; W72-S103 WeakPolarHBondContact O-CB 3.3Å; S103-G105 PolarHBondContact O-N 2.77Å; S103-G105 PolarHBondContact OG-N 2.81Å; S103-G105 VanDerWaalsContact OG-N 3.17Å
104R84.5Confident86.2Confident155 Ų15571 Ų7159%0.58535%0.354SS*.EExtended strand (participates in β ladder)trans-78.12.6174.8-60.4178.564.3-174.4-3.6112.3K95 D97 R102 F106K95-R104 VanDerWaalsContact O-CB 3.25Å; K95-R104 WeakPolarHBondContact O-CB 3.46Å; K95-R104 WeakPolarHBondContact O-CG 3.37Å; K95-R104 PolarHBondContact O-N 2.77Å; D97-R104 HydrophobicContact CB-CG 4.24Å; R102-R104 PolarHBondContact O-N 3.15Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 HydrophobicContact CB-CD1 3.67Å; R104-F106 HydrophobicContact CB-CE1 3.39Å; R104-F106 HydrophobicContact CB-CZ 4.27Å; R104-F106 HydrophobicContact CG-CE1 4.28Å; R104-F106 WeakPolarHBondContact O-CD1 3.22Å
105G86.7Confident86.1Confident9 Ų972.6 Ų72.69%0.09337%0.369CS..EExtended strand (participates in β ladder)trans73.820.5-179.600000113.6G69 L70 S103G69-G105 PolarHBondContact N-O 3.37Å; L70-G105 PolarHBondContact N-O 3Å; L70-G105 WeakPolarHBondContact O-CA 3.4Å; S103-G105 PolarHBondContact O-N 2.77Å; S103-G105 PolarHBondContact OG-N 2.81Å; S103-G105 VanDerWaalsContact OG-N 3.17Å
106F89.8Confident86.1Confident43 Ų4368.8 Ų68.819%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-148.8156.5172.971-91.1000111.9F66 V67 K95 R104 F108F66-F106 HydrophobicContact CD2-CD2 4.45Å; F66-F106 HydrophobicContact CE2-CB 3.86Å; F66-F106 AromaticContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CD2 3.6Å; F66-F106 HydrophobicContact CE2-CE2 4.41Å; F66-F106 AromaticContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CE2-CG 3.98Å; F66-F106 HydrophobicContact CZ-CB 3.84Å; F66-F106 HydrophobicContact CZ-CD2 4.36Å; F66-F106 HydrophobicContact CZ-CG 4.29Å; V67-F106 CarbonylContact O-C 3.43Å; V67-F106 VanDerWaalsContact O-CA 3.23Å; V67-F106 WeakPolarHBondContact O-CA 3.39Å; K95-F106 HydrophobicContact CB-CD2 4.09Å; K95-F106 HydrophobicContact CB-CE1 4.47Å; K95-F106 HydrophobicContact CB-CE2 3.58Å; K95-F106 HydrophobicContact CB-CZ 3.79Å; K95-F106 HydrophobicContact CG-CD2 4.16Å; K95-F106 HydrophobicContact CG-CE2 3.57Å; K95-F106 HydrophobicContact CG-CZ 4.17Å; K95-F106 PolarHBondContact N-O 2.89Å; R104-F106 VanDerWaalsContact C-N 3.3Å; R104-F106 HydrophobicContact CB-CD1 3.67Å; R104-F106 HydrophobicContact CB-CE1 3.39Å; R104-F106 HydrophobicContact CB-CZ 4.27Å; R104-F106 HydrophobicContact CG-CE1 4.28Å; R104-F106 WeakPolarHBondContact O-CD1 3.22Å; F106-F108 HydrophobicContact CD2-CE2 4.48Å; F106-F108 HydrophobicContact CE2-CE2 4.3Å
107G90.6Very high86Confident0 Ų063.5 Ų63.50%033%0.327CS..EExtended strand (participates in β ladder)trans-151.7-179.5-179.700000112.5V67 T93V67-G107 PolarHBondContact N-O 2.85Å; V67-G107 PolarHBondContact O-N 3.45Å; T93-G107 CarbonylContact O-C 3.46Å; T93-G107 WeakPolarHBondContact O-CA 3.24Å
108F90.9Very high86.1Confident45 Ų4564 Ų6420%0.19733%0.33CS..EExtended strand (participates in β ladder)trans-126.5145.8174.8-63.1-86.5000109.5I53 M65 F66 C92 T93 K95 F106 A138I53-F108 HydrophobicContact CD1-CB 3.69Å; I53-F108 HydrophobicContact CD1-CG 4.44Å; M65-F108 CarbonylContact O-C 3.57Å; M65-F108 VanDerWaalsContact O-CA 3.22Å; M65-F108 WeakPolarHBondContact O-CA 3.41Å; F66-F108 HydrophobicContact CB-CD1 4.31Å; F66-F108 HydrophobicContact CB-CE1 4.17Å; F66-F108 HydrophobicContact CD2-CD1 4.35Å; F66-F108 AromaticContact CD2-CE1 3.77Å; F66-F108 HydrophobicContact CD2-CE1 3.77Å; F66-F108 AromaticContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CD2-CZ 3.96Å; F66-F108 HydrophobicContact CG-CE1 4.48Å; C92-F108 CarbonylContact C-O 3.56Å; C92-F108 WeakPolarHBondContact CA-O 3.48Å; T93-F108 PolarHBondContact N-O 3.31Å; T93-F108 PolarHBondContact O-N 3.12Å; K95-F108 HydrophobicContact CG-CD2 4.29Å; K95-F108 HydrophobicContact CG-CE2 4.06Å; F106-F108 HydrophobicContact CD2-CE2 4.48Å; F106-F108 HydrophobicContact CE2-CE2 4.3Å; F108-A138 HydrophobicContact CD1-CB 4.29Å
109I89.9Confident86.5Confident1 Ų159.9 Ų59.91%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-128.1141.3176.3-57.2-176.6000107.3K64 M65 V67 L79 F83 V89 D91 C92 F111K64-I109 CarbonylContact C-O 3.59Å; K64-I109 WeakPolarHBondContact CA-O 3.22Å; M65-I109 HydrophobicContact CB-CB 4.45Å; M65-I109 PolarHBondContact N-O 3.01Å; M65-I109 PolarHBondContact O-N 2.97Å; V67-I109 HydrophobicContact CG2-CD1 3.63Å; V67-I109 HydrophobicContact CG2-CG1 3.93Å; L79-I109 HydrophobicContact CD1-CD1 4.41Å; L79-I109 HydrophobicContact CD2-CD1 3.39Å; L79-I109 HydrophobicContact CD2-CG1 3.35Å; L79-I109 HydrophobicContact CG-CD1 3.68Å; L79-I109 HydrophobicContact CG-CG1 4.21Å; F83-I109 HydrophobicContact CB-CD1 3.94Å; F83-I109 HydrophobicContact CD1-CD1 4.01Å; F83-I109 HydrophobicContact CD2-CD1 2.98Å; F83-I109 HydrophobicContact CD2-CG1 4.49Å; F83-I109 HydrophobicContact CE1-CD1 4.25Å; F83-I109 HydrophobicContact CE2-CD1 3.31Å; F83-I109 HydrophobicContact CG-CD1 3.36Å; F83-I109 HydrophobicContact CZ-CD1 3.93Å; V89-I109 HydrophobicContact CB-CG2 4.43Å; V89-I109 HydrophobicContact CG1-CG2 3.63Å; V89-I109 HydrophobicContact CG2-CG2 3.99Å; D91-I109 CarbonylContact O-C 3.52Å; C92-I109 HydrophobicContact CB-CG1 4.35Å; I109-F111 HydrophobicContact CG2-CD2 4.27Å; I109-F111 HydrophobicContact CG2-CE2 4.04Å; I109-F111 HydrophobicContact CG2-CZ 4.31Å
110L88.4Confident86.9Confident17 Ų1751.1 Ų51.19%0.08927%0.268CS..EExtended strand (participates in β ladder)trans-116.1114.4171.5-17865.9000107.8E60 K64 V89 T90 D91E60-L110 HydrophobicContact CB-CD1 4.23Å; E60-L110 WeakPolarHBondContact O-CD1 3.32Å; E60-L110 VanDerWaalsContact OE2-CD2 3.29Å; E60-L110 WeakPolarHBondContact OE2-CD2 3.29Å; K64-L110 HydrophobicContact CB-CD1 4.08Å; V89-L110 CarbonylContact C-O 3.52Å; T90-L110 HydrophobicContact CG2-CD2 4.33Å; T90-L110 PolarHBondContact N-O 2.91Å; D91-L110 HydrophobicContact CB-CB 4.33Å; D91-L110 PolarHBondContact N-O 3.17Å; D91-L110 PolarHBondContact O-N 3.4Å
111F89.9Confident87.1Confident4 Ų449.6 Ų49.62%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-83.5150.9168.6-72.4-79.3000110.4G63 M65 F83 E88 V89 I109 D113 V117 V120G63-F111 PolarHBondContact O-N 3.04Å; M65-F111 HydrophobicContact CG-CD2 4.27Å; M65-F111 HydrophobicContact CG-CE2 4.2Å; F83-F111 HydrophobicContact CB-CE1 4.3Å; F83-F111 HydrophobicContact CB-CZ 3.87Å; F83-F111 HydrophobicContact CD1-CE2 4.48Å; F83-F111 AromaticContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CD1-CZ 3.93Å; F83-F111 HydrophobicContact CG-CZ 4.29Å; E88-F111 WeakPolarHBondContact O-CA 3.4Å; V89-F111 HydrophobicContact CG2-CD1 3.96Å; V89-F111 HydrophobicContact CG2-CE1 3.61Å; V89-F111 HydrophobicContact CG2-CZ 4.28Å; I109-F111 HydrophobicContact CG2-CD2 4.27Å; I109-F111 HydrophobicContact CG2-CE2 4.04Å; I109-F111 HydrophobicContact CG2-CZ 4.31Å; F111-D113 WeakPolarHBondContact CB-O 3.34Å; F111-V117 HydrophobicContact CB-CG2 4.49Å; F111-V117 HydrophobicContact CD2-CG2 3.77Å; F111-V117 HydrophobicContact CE2-CG2 4.5Å; F111-V117 HydrophobicContact CG-CG2 4.49Å; F111-V120 HydrophobicContact CE2-CG2 4.2Å; F111-V120 HydrophobicContact CZ-CG2 3.93Å
112K87.8Confident87.4Confident121 Ų12155 Ų5553%0.52627%0.267SS..SBendtrans-66.2-40.8170.3-173.2175-179.3176.80111.6E88 T90E88-K112 HydrophobicContact CB-CB 4.22Å; E88-K112 HydrophobicContact CB-CD 4.3Å; E88-K112 HydrophobicContact CG-CD 4.19Å; E88-K112 PolarHBondContact O-N 3.39Å; E88-K112 WeakPolarHBondContact OE1-CD 3.23Å; E88-K112 IonicContact OE1-NZ 2.79Å; E88-K112 PolarHBondContact OE1-NZ 2.87Å; E88-K112 VanDerWaalsContact OE2-CD 3.23Å; E88-K112 WeakPolarHBondContact OE2-CD 3.29Å; E88-K112 IonicContact OE2-NZ 2.85Å; E88-K112 PolarHBondContact OE2-NZ 2.85Å; T90-K112 WeakPolarHBondContact OG1-CA 3.38Å; T90-K112 PolarHBondContact OG1-N 2.89Å
113D86.7Confident87.4Confident91 Ų9153.3 Ų53.349%0.48726%0.264SS..SBendtrans-111.5134.8179.8-61.4-46.7000111.3F111 A115 S116F111-D113 WeakPolarHBondContact CB-O 3.34Å; D113-A115 PolarHBondContact O-N 2.96Å; D113-S116 WeakPolarHBondContact O-CB 3.22Å; D113-S116 PolarHBondContact O-N 2.87Å
114S85.6Confident86.9Confident60 Ų6062.3 Ų62.342%0.4230%0.302SS..Hα-helixtrans-65.4-26.5172.558.60000112.6S116 V117 D118S114-S116 PolarHBondContact O-N 2.79Å; S114-V117 VanDerWaalsContact O-CB 3.23Å; S114-V117 WeakPolarHBondContact O-CB 3.15Å; S114-V117 PolarHBondContact O-N 3.49Å; S114-D118 PolarHBondContact O-N 3.45Å
115A87.3Confident86.8Confident49 Ų4960.9 Ų60.941%0.40530%0.302SS..Hα-helixtrans-61.6-28175.600000112.7D113 V117 D118 K119D113-A115 PolarHBondContact O-N 2.96Å; A115-V117 VanDerWaalsContact C-N 3.3Å; A115-D118 PolarHBondContact O-N 3.45Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 2.81Å
116S87.6Confident86.8Confident4 Ų460.5 Ų60.53%0.02830%0.298CS..Hα-helixtrans-68.1-32.8175.4-61.50000112.2F86 G87 D113 S114 D118 K119 V120F86-S116 PolarHBondContact O-OG 2.85Å; G87-S116 WeakPolarHBondContact CA-OG 3.3Å; D113-S116 WeakPolarHBondContact O-CB 3.22Å; D113-S116 PolarHBondContact O-N 2.87Å; S114-S116 PolarHBondContact O-N 2.79Å; S116-D118 VanDerWaalsContact C-N 3.33Å; S116-K119 PolarHBondContact O-N 3.15Å; S116-V120 WeakPolarHBondContact O-CG2 3.42Å; S116-V120 PolarHBondContact O-N 2.81Å; S116-V120 VanDerWaalsContact O-N 3.13Å
117V85.8Confident86.7Confident1 Ų165.5 Ų65.51%0.00632%0.315CS..Hα-helixtrans-62.4-43.3173.1171.90000110.8M65 F111 S114 A115 K119 V120 L121 R137M65-V117 HydrophobicContact CE-CG1 4Å; M65-V117 HydrophobicContact CG-CB 4.11Å; M65-V117 HydrophobicContact CG-CG1 3.74Å; M65-V117 HydrophobicContact CG-CG2 3.56Å; M65-V117 HydrophobicContact SD-CB 4.23Å; M65-V117 HydrophobicContact SD-CG1 3.25Å; M65-V117 WeakPolarHBondContact SD-CG1 3.43Å; M65-V117 HydrophobicContact SD-CG2 4.28Å; F111-V117 HydrophobicContact CB-CG2 4.49Å; F111-V117 HydrophobicContact CD2-CG2 3.77Å; F111-V117 HydrophobicContact CE2-CG2 4.5Å; F111-V117 HydrophobicContact CG-CG2 4.49Å; S114-V117 VanDerWaalsContact O-CB 3.23Å; S114-V117 WeakPolarHBondContact O-CB 3.15Å; S114-V117 PolarHBondContact O-N 3.49Å; A115-V117 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.5Å; V117-V120 PolarHBondContact O-N 2.74Å; V117-L121 HydrophobicContact CG1-CD1 3.75Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.02Å; V117-R137 HydrophobicContact CG1-CG 4.13Å
118D86.8Confident86.5Confident72 Ų7266.1 Ų66.139%0.38532%0.319SS..Hα-helixtrans-64-41.7-179.3-58.7-25.4000111.4S114 A115 S116 V120 L121 E122 R137S114-D118 PolarHBondContact O-N 3.45Å; A115-D118 PolarHBondContact O-N 3.45Å; S116-D118 VanDerWaalsContact C-N 3.33Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 3.5Å; D118-L121 PolarHBondContact O-N 3.49Å; D118-E122 WeakPolarHBondContact O-CB 3.49Å; D118-E122 PolarHBondContact O-N 3.19Å; D118-R137 IonicContact OD1-CZ 2.67Å; D118-R137 IonicContact OD1-NH1 2.95Å; D118-R137 PolarHBondContact OD1-NH1 2.96Å; D118-R137 IonicContact OD1-NH2 3.98Å; D118-R137 PolarHBondContact OD1-NH2 2.98Å
119K88.1Confident86.1Confident112 Ų11268.1 Ų68.149%0.48733%0.331SS..Hα-helixtrans-62.6-37.7175.4-67.7173.6-174.2174.90113.1A115 S116 V117A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 2.81Å; S116-K119 PolarHBondContact O-N 3.15Å; V117-K119 PolarHBondContact O-N 3.5Å
120V87.3Confident85.7Confident0 Ų071.6 Ų71.60%037%0.367CS..Hα-helixtrans-64.7-49173.3171.80000109.2M65 F83 F86 F111 S116 V117 D118 E122 Q123 H126 P135M65-V120 HydrophobicContact CE-CB 4.25Å; M65-V120 HydrophobicContact CE-CG1 3.79Å; F83-V120 HydrophobicContact CD1-CG1 4.39Å; F83-V120 HydrophobicContact CD1-CG2 4Å; F83-V120 HydrophobicContact CE1-CG1 3.83Å; F83-V120 HydrophobicContact CE1-CG2 4.26Å; F86-V120 HydrophobicContact CB-CG2 3.54Å; F86-V120 HydrophobicContact CD1-CG2 4.1Å; F86-V120 HydrophobicContact CD2-CG2 3.98Å; F86-V120 HydrophobicContact CG-CG2 3.61Å; F111-V120 HydrophobicContact CE2-CG2 4.2Å; F111-V120 HydrophobicContact CZ-CG2 3.93Å; S116-V120 WeakPolarHBondContact O-CG2 3.42Å; S116-V120 PolarHBondContact O-N 2.81Å; S116-V120 VanDerWaalsContact O-N 3.13Å; V117-V120 PolarHBondContact O-N 2.74Å; D118-V120 VanDerWaalsContact C-N 3.34Å; D118-V120 PolarHBondContact O-N 3.5Å; V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 3Å; V120-Q123 WeakPolarHBondContact O-CB 3.48Å; V120-Q123 PolarHBondContact O-N 2.97Å; V120-H126 PolarHBondContact O-CE1 3.38Å; V120-H126 PolarHBondContact O-NE2 3.35Å; V120-P135 HydrophobicContact CG1-CB 3.65Å; V120-P135 HydrophobicContact CG1-CG 3.59Å
121L86.5Confident85.6Confident63 Ų6375.9 Ų75.933%0.3338%0.382SS..Hα-helixtrans-66.9-25.6-178.6-66.8168000114M65 V117 D118 Q123 R137M65-L121 HydrophobicContact CE-CD1 4.48Å; M65-L121 HydrophobicContact CE-CD2 3.81Å; M65-L121 HydrophobicContact CE-CG 3.89Å; V117-L121 HydrophobicContact CG1-CD1 3.75Å; V117-L121 HydrophobicContact CG1-CG 4.37Å; V117-L121 VanDerWaalsContact O-CG 3.31Å; V117-L121 WeakPolarHBondContact O-CG 3.34Å; V117-L121 PolarHBondContact O-N 3.02Å; D118-L121 PolarHBondContact O-N 3.49Å; L121-Q123 PolarHBondContact O-N 3.29Å; L121-R137 HydrophobicContact CD1-CG 3.56Å
122E86.6Confident85.5Confident170 Ų17080.6 Ų80.679%0.79440%0.404SS*.Hα-helixtrans-64.8-31.6172.2-171.6172.6-163.100111.4D118 V120 K124D118-E122 WeakPolarHBondContact O-CB 3.49Å; D118-E122 PolarHBondContact O-N 3.19Å; V120-E122 VanDerWaalsContact C-N 3.26Å; V120-E122 PolarHBondContact O-N 3Å; E122-K124 PolarHBondContact O-N 3.45Å
123Q83.4Confident85.7Confident93 Ų9375.1 Ų75.144%0.43538%0.381SS..  trans-78.1113.1168.6-81.5-166.510.900111.1F86 V120 L121 E125 H126F86-Q123 VanDerWaalsContact CE1-CD 3.45Å; F86-Q123 HydrophobicContact CE1-CG 4.2Å; F86-Q123 VanDerWaalsContact CZ-OE1 3.26Å; V120-Q123 WeakPolarHBondContact O-CB 3.48Å; V120-Q123 PolarHBondContact O-N 2.97Å; L121-Q123 PolarHBondContact O-N 3.29Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.26Å; Q123-H126 VanDerWaalsContact CB-CE1 3.42Å; Q123-H126 WeakPolarHBondContact CB-CE1 3.25Å; Q123-H126 WeakPolarHBondContact CB-NE2 3.24Å; Q123-H126 PolarHBondContact O-CD2 3.13Å; Q123-H126 PolarHBondContact O-NE2 3.23Å; Q123-H126 VanDerWaalsContact O-NE2 3.15Å; Q123-H126 PolarHBondContact OE1-CE1 3.46Å
124K73.9Confident85.7Confident198 Ų19874.4 Ų74.486%0.86138%0.377SS*.SBendtrans-73.9-22.2-179.3-163174.2-179179.40113.7E122E122-K124 PolarHBondContact O-N 3.45Å
125E83.3Confident85.8Confident125 Ų12572.1 Ų72.158%0.58436%0.361SS*.  trans-130.8119.8-179.4-69.4-168.5-170.700111.4Q123Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.26Å
126H86.4Confident85.9Confident2 Ų275 Ų751%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-117139.6171.8-65.9-82.7000110Y82 F86 V120 Q123 Q132 I133 P135Y82-H126 HydrophobicContact CE1-CB 4.27Å; Y82-H126 AromaticContact CE1-ND1 3.78Å; Y82-H126 AromaticContact CZ-ND1 3.92Å; Y82-H126 WeakPolarHBondContact OH-CA 3.47Å; Y82-H126 WeakPolarHBondContact OH-CB 3.49Å; Y82-H126 PolarHBondContact OH-ND1 2.79Å; Y82-H126 VanDerWaalsContact OH-ND1 3.15Å; F86-H126 AromaticContact CZ-CE1 3.73Å; F86-H126 AromaticContact CZ-ND1 3.94Å; V120-H126 PolarHBondContact O-CE1 3.38Å; V120-H126 PolarHBondContact O-NE2 3.35Å; Q123-H126 VanDerWaalsContact CB-CE1 3.42Å; Q123-H126 WeakPolarHBondContact CB-CE1 3.25Å; Q123-H126 WeakPolarHBondContact CB-NE2 3.24Å; Q123-H126 PolarHBondContact O-CD2 3.13Å; Q123-H126 PolarHBondContact O-NE2 3.23Å; Q123-H126 VanDerWaalsContact O-NE2 3.15Å; Q123-H126 PolarHBondContact OE1-CE1 3.46Å; H126-Q132 CarbonylContact O-C 3.54Å; H126-Q132 WeakPolarHBondContact O-CA 3.23Å; H126-I133 HydrophobicContact CB-CD1 3.74Å; H126-I133 HydrophobicContact CB-CG1 3.22Å; H126-I133 PolarHBondContact O-N 2.67Å; H126-P135 HydrophobicContact CB-CG 4.49Å; H126-P135 WeakPolarHBondContact CD2-CG 3.12Å
127R87.1Confident85.8Confident147 Ų14781.3 Ų81.356%0.55539%0.387SS*.EExtended strand (participates in β ladder)trans-132.5130.1177-71.3-179.7-179.3-120.81.4110.2Y82 R131 Q132Y82-R127 VanDerWaalsContact CE2-O 3.27Å; Y82-R127 WeakPolarHBondContact CE2-O 3.36Å; Y82-R127 PolarHBondContact OH-N 3.32Å; R127-R131 CarbonylContact C-O 3.55Å; R127-R131 VanDerWaalsContact CA-O 3.24Å; R127-R131 WeakPolarHBondContact CA-O 3.49Å; R127-Q132 HydrophobicContact CG-CB 4.47Å
128L86.4Confident85.4Confident14 Ų1481.8 Ų81.87%0.07339%0.392CS..EExtended strand (participates in β ladder)trans-134.9133.2176.8-169.470.4000108.4L70 T74 L79 Y82 G130 R131 I133L70-L128 HydrophobicContact CD2-CD2 4.08Å; T74-L128 HydrophobicContact CG2-CD2 3.48Å; T74-L128 VanDerWaalsContact CG2-CD2 3.48Å; T74-L128 HydrophobicContact CG2-CG 4.45Å; L79-L128 HydrophobicContact CD1-CD2 4.33Å; Y82-L128 HydrophobicContact CD2-CD1 3.8Å; Y82-L128 HydrophobicContact CG-CD1 3.74Å; L128-G130 PolarHBondContact O-N 3.48Å; L128-G130 VanDerWaalsContact O-N 3.15Å; L128-R131 PolarHBondContact N-O 3.23Å; L128-R131 PolarHBondContact O-N 3.04Å; L128-R131 VanDerWaalsContact O-O 3.06Å; L128-I133 HydrophobicContact CB-CD1 4.23Å; L128-I133 HydrophobicContact CB-CG2 3.82Å
129D82.8Confident84.4Confident87 Ų8786.8 Ų86.847%0.46542%0.415SS..THydrogen-bonded Turntrans52.436.7-179.9-50.7-32.7000114T74 R131T74-D129 WeakPolarHBondContact CB-OD2 3.24Å; T74-D129 PolarHBondContact OG1-OD2 3.42Å; D129-R131 PolarHBondContact O-N 3.45Å
130G81.9Confident83Confident73 Ų7382.5 Ų82.575%0.75340%0.4SS*.THydrogen-bonded Turntrans73.91.9-177.500000114.8L128L128-G130 PolarHBondContact O-N 3.48Å; L128-G130 VanDerWaalsContact O-N 3.15Å
131R87Confident81.6Confident107 Ų10790.7 Ų90.740%0.40444%0.44SS..EExtended strand (participates in β ladder)trans-108.1141.7178.6-161.2166.4178.4163.4-2.2111.1G69 R127 L128 D129G69-R131 WeakPolarHBondContact O-CD 3.39Å; G69-R131 WeakPolarHBondContact O-CG 3.2Å; G69-R131 PolarHBondContact O-NE 3.22Å; R127-R131 CarbonylContact C-O 3.55Å; R127-R131 VanDerWaalsContact CA-O 3.24Å; R127-R131 WeakPolarHBondContact CA-O 3.49Å; L128-R131 PolarHBondContact N-O 3.23Å; L128-R131 PolarHBondContact O-N 3.04Å; L128-R131 VanDerWaalsContact O-O 3.06Å; D129-R131 PolarHBondContact O-N 3.45Å
132Q87.9Confident79.9Confident104 Ų10494.9 Ų94.949%0.48646%0.456SS..EExtended strand (participates in β ladder)trans-76.8124.6174.5-172.1172.3-0.300109.5H126 R127H126-Q132 CarbonylContact O-C 3.54Å; H126-Q132 WeakPolarHBondContact O-CA 3.23Å; R127-Q132 HydrophobicContact CG-CB 4.47Å
133I91Very high78.3Confident5 Ų596.2 Ų96.23%0.02646%0.459CS..EExtended strand (participates in β ladder)trans-102.6149.1177.771.9178.5000109.2V67 G68 L70 Y82 F83 H126 L128 P135V67-I133 HydrophobicContact CG1-CB 4.11Å; V67-I133 HydrophobicContact CG1-CD1 3.98Å; V67-I133 HydrophobicContact CG1-CG1 4.35Å; G68-I133 CarbonylContact O-C 3.55Å; G68-I133 VanDerWaalsContact O-CA 3.29Å; G68-I133 WeakPolarHBondContact O-CA 3.46Å; L70-I133 HydrophobicContact CD2-CB 4.46Å; L70-I133 HydrophobicContact CD2-CG2 3.84Å; Y82-I133 HydrophobicContact CD1-CD1 4.18Å; Y82-I133 HydrophobicContact CE1-CD1 3.82Å; F83-I133 HydrophobicContact CE2-CD1 3.83Å; F83-I133 HydrophobicContact CZ-CD1 3.58Å; H126-I133 HydrophobicContact CB-CD1 3.74Å; H126-I133 HydrophobicContact CB-CG1 3.22Å; H126-I133 PolarHBondContact O-N 2.67Å; L128-I133 HydrophobicContact CB-CD1 4.23Å; L128-I133 HydrophobicContact CB-CG2 3.82Å; I133-P135 WeakPolarHBondContact O-CD 3.12Å
134D87.9Confident76.9Confident77 Ų7798.6 Ų98.641%0.41247%0.47SS..EExtended strand (participates in β ladder)trans-121.286.9-177-176.622.5000108.7G68 K136G68-D134 PolarHBondContact N-O 2.63Å; G68-D134 PolarHBondContact O-N 2.95Å; D134-K136 IonicContact OD1-NZ 2.83Å; D134-K136 WeakPolarHBondContact OD2-CE 3.24Å; D134-K136 IonicContact OD2-NZ 2.83Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å
135P87.8Confident76Confident12 Ų1292.1 Ų92.18%0.07845%0.448CS..EExtended strand (participates in β ladder)trans-76129.4175.528.5-27.7000110.3M65 F66 V67 F83 V120 H126 I133M65-P135 HydrophobicContact CE-CB 3.8Å; F66-P135 CarbonylContact O-C 3.59Å; F66-P135 VanDerWaalsContact O-CA 3.3Å; F66-P135 WeakPolarHBondContact O-CA 3.3Å; V67-P135 HydrophobicContact CG2-CB 4.45Å; F83-P135 HydrophobicContact CE1-CB 4.32Å; F83-P135 HydrophobicContact CZ-CB 4.4Å; V120-P135 HydrophobicContact CG1-CB 3.65Å; V120-P135 HydrophobicContact CG1-CG 3.59Å; H126-P135 HydrophobicContact CB-CG 4.49Å; H126-P135 WeakPolarHBondContact CD2-CG 3.12Å; I133-P135 WeakPolarHBondContact O-CD 3.12Å
136K87.7Confident75.1Confident109 Ų10988.1 Ų88.147%0.47443%0.433SS..EExtended strand (participates in β ladder)trans-131.7150.8178-74170.9169.7153.70108.9F66 D134 A138F66-K136 HydrophobicContact CD1-CB 4.35Å; F66-K136 PolarHBondContact N-O 3.38Å; F66-K136 PolarHBondContact O-N 3.33Å; F66-K136 VanDerWaalsContact O-O 3.08Å; D134-K136 IonicContact OD1-NZ 2.83Å; D134-K136 WeakPolarHBondContact OD2-CE 3.24Å; D134-K136 IonicContact OD2-NZ 2.83Å; D134-K136 PolarHBondContact OD2-NZ 3.16Å; K136-A138 PolarHBondContact O-N 3.34Å; K136-A138 VanDerWaalsContact O-N 3.16Å
137R85.5Confident74.7Confident136 Ų13692.7 Ų92.751%0.51345%0.452SS..EExtended strand (participates in β ladder)trans-51.9127.8169.6-65.3-165.7-168.5-98.41.8108.7M65 V117 D118 L121 M139M65-R137 WeakPolarHBondContact SD-CA 3.25Å; M65-R137 HydrophobicContact SD-CB 4.5Å; M65-R137 HydrophobicContact SD-CG 4.31Å; M65-R137 PolarHBondContact SD-N 3.38Å; V117-R137 HydrophobicContact CG1-CG 4.13Å; D118-R137 IonicContact OD1-CZ 2.67Å; D118-R137 IonicContact OD1-NH1 2.95Å; D118-R137 PolarHBondContact OD1-NH1 2.96Å; D118-R137 IonicContact OD1-NH2 3.98Å; D118-R137 PolarHBondContact OD1-NH2 2.98Å; L121-R137 HydrophobicContact CD1-CG 3.56Å; R137-M139 PolarHBondContact O-N 2.86Å
138A77.5Confident74.6Confident12 Ų1288.5 Ų88.510%0.09944%0.438CS..  trans-65.4113.1176.600000106.9K64 F66 F108 K136 A140K64-A138 HydrophobicContact CB-CB 3.88Å; K64-A138 HydrophobicContact CD-CB 4.04Å; K64-A138 HydrophobicContact CG-CB 3.61Å; K64-A138 VanDerWaalsContact O-CB 3.24Å; K64-A138 WeakPolarHBondContact O-CB 3.5Å; K64-A138 PolarHBondContact O-N 2.81Å; F66-A138 HydrophobicContact CB-CB 4.47Å; F108-A138 HydrophobicContact CD1-CB 4.29Å; K136-A138 PolarHBondContact O-N 3.34Å; K136-A138 VanDerWaalsContact O-N 3.16Å; A138-A140 VanDerWaalsContact C-N 3.25Å; A138-A140 PolarHBondContact O-N 2.61Å
139M66.3Low74.7Confident177 Ų17787.8 Ų87.887%0.87243%0.434SS*.  trans-68101.3157.9-66.9-179.7174.800104.5R137 M141R137-M139 PolarHBondContact O-N 2.86Å; M139-M141 PolarHBondContact O-N 2.97Å
140A59.6Low74.9Confident21 Ų2186 Ų8617%0.17442%0.423CS..  trans-51.3116.8159.400000105.1D61 A138 K142D61-A140 WeakPolarHBondContact OD1-CB 3.31Å; D61-A140 VanDerWaalsContact OD2-CB 3.24Å; D61-A140 WeakPolarHBondContact OD2-CB 3.48Å; A138-A140 VanDerWaalsContact C-N 3.25Å; A138-A140 PolarHBondContact O-N 2.61Å; A140-K142 PolarHBondContact O-N 2.79Å
141M56.2Low75.2Confident173 Ų17382.5 Ų82.585%0.85239%0.387SS*.  trans-62.684159.6-75.9179.2158.300103.8M139 K143M139-M141 PolarHBondContact O-N 2.97Å; M141-K143 PolarHBondContact O-N 3.33Å
142K51Low75.1Confident151 Ų15177.7 Ų77.766%0.65737%0.37SS*.  trans-51.5105.8157.7-67.7-177.2-178.7-178.30101.2A140 E144A140-K142 PolarHBondContact O-N 2.79Å; K142-E144 HydrophobicContact CB-CG 3.98Å; K142-E144 PolarHBondContact O-N 3.21Å
143K53.1Low74.9Confident198 Ų19875 Ų7586%0.86137%0.37SS*.  trans-59.583.4145.5-82.5-179.3176.8175.20101.6M141 P145M141-K143 PolarHBondContact O-N 3.33Å; K143-P145 VanDerWaalsContact O-N 3.07Å
144E53.8Low74.4Confident142 Ų14275.1 Ų75.166%0.66437%0.371SS*.  trans-49.6126.8174-81.6179.8162.100103.5K142 V146K142-E144 HydrophobicContact CB-CG 3.98Å; K142-E144 PolarHBondContact O-N 3.21Å; E144-V146 PolarHBondContact O-N 3.39Å
145P55.7Low74Confident63 Ų6374.3 Ų74.341%0.40937%0.367SS..  trans-56.6103.6175.222.2-30.4000105.1K143 K147 E198K143-P145 VanDerWaalsContact O-N 3.07Å; P145-K147 VanDerWaalsContact C-N 3.3Å; P145-K147 PolarHBondContact O-N 3.38Å; P145-E198 HydrophobicContact CB-CB 4.43Å; P145-E198 HydrophobicContact CB-CG 3.64Å; P145-E198 VanDerWaalsContact CB-OE2 3.28Å; P145-E198 WeakPolarHBondContact CB-OE2 3.36Å; P145-E198 HydrophobicContact CG-CG 4.42Å; P145-E198 VanDerWaalsContact CG-OE2 3.27Å; P145-E198 WeakPolarHBondContact CG-OE2 3.4Å
146V64.2Low73.3Confident41 Ų4176.2 Ų76.225%0.24838%0.379CS..  trans-64.4101.2-176.2-81.50000105.8E144 K148 I221E144-V146 PolarHBondContact O-N 3.39Å; V146-K148 PolarHBondContact O-N 3.32Å; V146-K148 VanDerWaalsContact O-N 3.09Å; V146-I221 HydrophobicContact CB-CG2 4.18Å; V146-I221 HydrophobicContact CG1-CG2 4.13Å; V146-I221 HydrophobicContact CG2-CB 3.93Å; V146-I221 HydrophobicContact CG2-CD1 4.28Å; V146-I221 HydrophobicContact CG2-CG1 3.79Å; V146-I221 HydrophobicContact CG2-CG2 3.26Å
147K79.1Confident72.8Confident98 Ų9877.5 Ų77.543%0.42639%0.391SS..  trans-61.7-14.5171.6-63.8-169.7179.8-161.40111.5P145 T194 Y195 K196P145-K147 VanDerWaalsContact C-N 3.3Å; P145-K147 PolarHBondContact O-N 3.38Å; K147-T194 HydrophobicContact CB-CG2 4.14Å; K147-T194 CarbonylContact O-C 3.53Å; K147-T194 WeakPolarHBondContact O-CA 3.39Å; K147-Y195 WeakPolarHBondContact CB-O 3.23Å; K147-Y195 PolarHBondContact O-N 3.44Å; K147-K196 PolarHBondContact NZ-O 3.01Å; K147-K196 VanDerWaalsContact NZ-O 3.08Å
148K85.4Confident72.5Confident58 Ų5871.6 Ų71.625%0.25237%0.37SS..EExtended strand (participates in β ladder)trans-97125.7179.2-163.1167.7-175.4164.60111.3V146 E177 F192 I193 A222V146-K148 PolarHBondContact O-N 3.32Å; V146-K148 VanDerWaalsContact O-N 3.09Å; K148-E177 IonicContact NZ-OE1 2.65Å; K148-E177 PolarHBondContact NZ-OE1 3.29Å; K148-E177 IonicContact NZ-OE2 2.69Å; K148-E177 PolarHBondContact NZ-OE2 3.4Å; K148-F192 HydrophobicContact CD-CB 4.48Å; K148-F192 HydrophobicContact CG-CB 4.38Å; K148-I193 CarbonylContact C-O 3.57Å; K148-I193 VanDerWaalsContact CA-O 3.31Å; K148-I193 WeakPolarHBondContact CA-O 3.48Å; K148-A222 HydrophobicContact CB-CB 3.89Å; K148-A222 HydrophobicContact CD-CB 4.34Å; K148-A222 HydrophobicContact CG-CB 3.69Å; K148-A222 WeakPolarHBondContact O-CB 3.28Å; K148-A222 PolarHBondContact O-N 3.41Å; K148-A222 VanDerWaalsContact O-N 3.13Å
149I87.6Confident72.7Confident0 Ų072.5 Ų72.50%038%0.377CS..EExtended strand (participates in β ladder)trans-109150171.863.6163.4000110.6V151 F167 F192 I193 Y195 V201 V204 M205 I219I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 4.23Å; I149-F167 HydrophobicContact CD1-CD1 4.43Å; I149-F167 HydrophobicContact CD1-CE1 4.42Å; I149-F192 VanDerWaalsContact O-CA 3.31Å; I149-F192 WeakPolarHBondContact O-CA 3.35Å; I149-I193 HydrophobicContact CD1-CB 4.17Å; I149-I193 HydrophobicContact CD1-CD1 4.41Å; I149-I193 HydrophobicContact CG1-CB 3.73Å; I149-I193 WeakPolarHBondContact CG1-O 3.43Å; I149-I193 PolarHBondContact N-O 2.8Å; I149-I193 PolarHBondContact O-N 3.03Å; I149-Y195 HydrophobicContact CD1-CE2 3.65Å; I149-Y195 HydrophobicContact CG1-CD2 4.49Å; I149-Y195 HydrophobicContact CG1-CE2 3.98Å; I149-V201 HydrophobicContact CG2-CB 4.15Å; I149-V201 HydrophobicContact CG2-CG1 3.49Å; I149-V201 VanDerWaalsContact CG2-CG1 3.49Å; I149-V201 HydrophobicContact CG2-CG2 3.91Å; I149-V204 HydrophobicContact CD1-CG1 3.85Å; I149-M205 HydrophobicContact CG2-CE 3.75Å; I149-I219 HydrophobicContact CB-CG2 4.18Å; I149-I219 HydrophobicContact CD1-CG2 4.05Å
150F87.6Confident73.5Confident49 Ų4968.2 Ų68.222%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-102.5124.8168.9170.4-91.2000108.3F190 F192 I219 K220 A222F150-F190 HydrophobicContact CD2-CB 4.34Å; F150-F190 HydrophobicContact CD2-CD2 4.3Å; F150-F190 HydrophobicContact CE2-CB 3.43Å; F150-F190 VanDerWaalsContact CE2-CB 3.43Å; F150-F190 HydrophobicContact CE2-CD1 4.31Å; F150-F190 AromaticContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CE2 4.44Å; F150-F190 AromaticContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CZ-CB 3.54Å; F150-F190 HydrophobicContact CZ-CG 4Å; F150-F192 HydrophobicContact CB-CD1 4.17Å; F150-F192 HydrophobicContact CB-CE1 4.03Å; F150-F192 HydrophobicContact CD2-CD1 4.14Å; F150-F192 AromaticContact CD2-CE1 3.57Å; F150-F192 HydrophobicContact CD2-CE1 3.57Å; F150-F192 AromaticContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CE2-CZ 4.35Å; F150-F192 HydrophobicContact CG-CE1 4.29Å; F150-I219 CarbonylContact O-C 3.43Å; F150-I219 WeakPolarHBondContact O-CA 3.37Å; F150-K220 HydrophobicContact CB-CB 4.41Å; F150-K220 HydrophobicContact CD1-CB 4.13Å; F150-K220 PolarHBondContact N-O 2.65Å; F150-K220 PolarHBondContact O-N 2.75Å; F150-A222 HydrophobicContact CB-CB 4.42Å
151V87.1Confident74.8Confident0 Ų074.2 Ų74.20%038%0.378CS..EExtended strand (participates in β ladder)trans-113.5104.7175.3-175.20000107.6I149 L154 F167 F190 V191 I193 C217 E218 I219I149-V151 HydrophobicContact CD1-CG2 3.76Å; I149-V151 HydrophobicContact CG1-CG2 4.23Å; V151-L154 HydrophobicContact CB-CD1 4.16Å; V151-L154 HydrophobicContact CG1-CD1 3.64Å; V151-L154 HydrophobicContact CG1-CD2 4.33Å; V151-L154 HydrophobicContact CG1-CG 3.94Å; V151-F167 HydrophobicContact CB-CZ 4.35Å; V151-F167 HydrophobicContact CG1-CE2 3.99Å; V151-F167 HydrophobicContact CG1-CZ 3.67Å; V151-F167 HydrophobicContact CG2-CE1 4.11Å; V151-F167 HydrophobicContact CG2-CE2 4.19Å; V151-F167 HydrophobicContact CG2-CZ 3.73Å; V151-F190 CarbonylContact O-C 3.57Å; V151-F190 WeakPolarHBondContact O-CA 3.37Å; V151-F190 WeakPolarHBondContact O-CB 3.26Å; V151-V191 PolarHBondContact N-O 3.23Å; V151-V191 PolarHBondContact O-N 3.47Å; V151-I193 HydrophobicContact CG2-CD1 4Å; V151-I193 HydrophobicContact CG2-CG1 4.43Å; V151-C217 HydrophobicContact CG1-CB 3.71Å; V151-E218 CarbonylContact C-O 3.56Å; V151-E218 WeakPolarHBondContact CA-O 3.47Å; V151-I219 HydrophobicContact CG1-CG1 4.44Å; V151-I219 HydrophobicContact CG2-CD1 4.45Å; V151-I219 HydrophobicContact CG2-CG1 4.31Å
152G86.1Confident76.3Confident6 Ų668.9 Ų68.96%0.06236%0.355CS..EExtended strand (participates in β ladder)trans-102.1161.4178.600000112.7G189 C217 E218G152-G189 CarbonylContact C-O 3.6Å; G152-C217 CarbonylContact O-C 3.56Å; G152-C217 WeakPolarHBondContact O-CA 3.33Å; G152-C217 VanDerWaalsContact O-CB 3.22Å; G152-C217 WeakPolarHBondContact O-CB 3.28Å; G152-E218 PolarHBondContact N-O 3.16Å; G152-E218 PolarHBondContact O-N 3.31Å
153G81.9Confident77.9Confident46 Ų4661.8 Ų61.847%0.47433%0.325SS..SBendtrans79.819.4179.200000114.2G189G153-G189 PolarHBondContact N-O 2.71Å
154L82.1Confident79.5Confident9 Ų956.2 Ų56.25%0.04730%0.301CS..  trans-79144.3171.4-70.4168.4000110V151 I163 G189 V191 V212 C217V151-L154 HydrophobicContact CB-CD1 4.16Å; V151-L154 HydrophobicContact CG1-CD1 3.64Å; V151-L154 HydrophobicContact CG1-CD2 4.33Å; V151-L154 HydrophobicContact CG1-CG 3.94Å; L154-I163 HydrophobicContact CD1-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CG1 4.39Å; L154-G189 PolarHBondContact N-O 3.34Å; L154-G189 CarbonylContact O-C 3.58Å; L154-G189 WeakPolarHBondContact O-CA 3.46Å; L154-V191 HydrophobicContact CD1-CB 3.83Å; L154-V191 HydrophobicContact CD1-CG2 3.56Å; L154-V212 HydrophobicContact CD2-CB 3.78Å; L154-V212 HydrophobicContact CD2-CG1 4.23Å; L154-V212 HydrophobicContact CD2-CG2 4.45Å; L154-C217 HydrophobicContact CD2-CB 3.76Å; L154-C217 HydrophobicContact CG-CB 3.98Å
155N77.9Confident81.1Confident60 Ų6056.6 Ų56.632%0.32130%0.303SS..  trans-67.4134173.9-161.3-22.4000108.7D157 T158 S215N155-D157 PolarHBondContact O-N 2.68Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.43Å; N155-T158 WeakPolarHBondContact CB-OG1 3.27Å; N155-T158 WeakPolarHBondContact O-CB 3.44Å; N155-T158 PolarHBondContact O-N 2.78Å; N155-T158 PolarHBondContact O-OG1 2.66Å; N155-S215 WeakPolarHBondContact CB-OG 3.41Å
156P74.1Confident82.6Confident52 Ų5257 Ų5734%0.33830%0.297SS..THydrogen-bonded Turntrans-53.3-2617220.2-35.9000114T158 R187P156-T158 VanDerWaalsContact C-N 3.3Å; P156-T158 PolarHBondContact O-N 3.4Å; P156-R187 HydrophobicContact CB-CB 3.92Å; P156-R187 WeakPolarHBondContact O-CD 3.47Å; P156-R187 PolarHBondContact O-NH1 3.01Å
157D77.7Confident83.6Confident136 Ų13655 Ų5573%0.72729%0.285SS*.THydrogen-bonded Turntrans-78.8-13.7179.3-60.6-29.9000113.2N155 A159N155-D157 PolarHBondContact O-N 2.68Å; N155-D157 VanDerWaalsContact O-N 3.08Å; N155-D157 PolarHBondContact OD1-N 3.43Å; D157-A159 PolarHBondContact O-N 3.42Å
158T79.1Confident83.9Confident11 Ų1152.1 Ų52.17%0.06728%0.283CS..  trans-67.7121179.3-53.70000110.8N155 P156 V162 I163 R187 V212N155-T158 WeakPolarHBondContact CB-OG1 3.27Å; N155-T158 WeakPolarHBondContact O-CB 3.44Å; N155-T158 PolarHBondContact O-N 2.78Å; N155-T158 PolarHBondContact O-OG1 2.66Å; P156-T158 VanDerWaalsContact C-N 3.3Å; P156-T158 PolarHBondContact O-N 3.4Å; T158-V162 HydrophobicContact CG2-CB 4.24Å; T158-V162 HydrophobicContact CG2-CG1 4.37Å; T158-I163 HydrophobicContact CG2-CD1 4.09Å; T158-I163 HydrophobicContact CG2-CG1 3.79Å; T158-R187 PolarHBondContact O-NH1 2.87Å; T158-V212 HydrophobicContact CG2-CG1 4.16Å
159A81.6Confident84Confident31 Ų3154.5 Ų54.526%0.25630%0.303SS..  trans-71.2152.8177.200000112.2D157 E161 V162 I163D157-A159 PolarHBondContact O-N 3.42Å; A159-E161 PolarHBondContact O-N 3.11Å; A159-V162 PolarHBondContact O-N 2.74Å; A159-I163 PolarHBondContact O-N 3.45Å
160K83.6Confident83.8Confident88 Ų8856.1 Ų56.138%0.38331%0.309SS..Hα-helixtrans-54.7-40.1174.8177.4-176177.2-87.90111.5V162 I163 E164 I176 L178K160-V162 PolarHBondContact O-N 2.83Å; K160-I163 WeakPolarHBondContact O-CB 3.38Å; K160-I163 PolarHBondContact O-N 3.34Å; K160-I163 VanDerWaalsContact O-N 3.15Å; K160-E164 IonicContact NZ-OE1 3.96Å; K160-E164 IonicContact NZ-OE2 2.7Å; K160-E164 PolarHBondContact NZ-OE2 2.85Å; K160-E164 WeakPolarHBondContact O-CB 3.02Å; K160-E164 PolarHBondContact O-N 3.19Å; K160-I176 HydrophobicContact CG-CD1 4.26Å; K160-I176 HydrophobicContact CG-CG2 4.45Å; K160-L178 HydrophobicContact CB-CD1 4.2Å; K160-L178 HydrophobicContact CD-CD1 4.33Å; K160-L178 HydrophobicContact CG-CD1 4.12Å
161E86.4Confident83.6Confident147 Ų14754.6 Ų54.669%0.68731%0.308SS*.Hα-helixtrans-57.4-45.9-177.9-67.5142.7-155.700112.1A159 I163 E164 E165A159-E161 PolarHBondContact O-N 3.11Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 PolarHBondContact O-N 3.14Å; E161-E164 PolarHBondContact O-N 3.34Å; E161-E165 WeakPolarHBondContact O-CB 3.45Å; E161-E165 PolarHBondContact O-N 3.25Å
162V86.4Confident83.6Confident61 Ų6160 Ų6037%0.3733%0.333SS..Hα-helixtrans-64.8-37.6179-178.20000111.3T158 A159 K160 Y166 V212T158-V162 HydrophobicContact CG2-CB 4.24Å; T158-V162 HydrophobicContact CG2-CG1 4.37Å; A159-V162 PolarHBondContact O-N 2.74Å; K160-V162 PolarHBondContact O-N 2.83Å; V162-Y166 WeakPolarHBondContact O-CB 3.11Å; V162-Y166 PolarHBondContact O-N 3.05Å; V162-Y166 VanDerWaalsContact O-N 3.1Å; V162-V212 HydrophobicContact CG1-CG1 4.03Å
163I84.6Confident83.8Confident2 Ų261 Ų611%0.0134%0.336CS..Hα-helixtrans-67.8-46.4176.9-62.8168.9000109L154 T158 A159 K160 E161 Y166 F167 L178 V191 I193 V212L154-I163 HydrophobicContact CD1-CD1 3.86Å; L154-I163 HydrophobicContact CD1-CG1 4.39Å; T158-I163 HydrophobicContact CG2-CD1 4.09Å; T158-I163 HydrophobicContact CG2-CG1 3.79Å; A159-I163 PolarHBondContact O-N 3.45Å; K160-I163 WeakPolarHBondContact O-CB 3.38Å; K160-I163 PolarHBondContact O-N 3.34Å; K160-I163 VanDerWaalsContact O-N 3.15Å; E161-I163 VanDerWaalsContact C-N 3.3Å; E161-I163 PolarHBondContact O-N 3.14Å; I163-Y166 PolarHBondContact O-N 2.96Å; I163-F167 HydrophobicContact CB-CD2 4.43Å; I163-F167 HydrophobicContact CG2-CD2 3.51Å; I163-F167 HydrophobicContact CG2-CE2 3.95Å; I163-F167 VanDerWaalsContact O-CB 3.23Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 VanDerWaalsContact O-CD2 3.23Å; I163-F167 WeakPolarHBondContact O-CD2 3.39Å; I163-F167 PolarHBondContact O-N 3.14Å; I163-L178 HydrophobicContact CD1-CD2 4.22Å; I163-V191 HydrophobicContact CD1-CG2 3.92Å; I163-V191 HydrophobicContact CG2-CG1 4.43Å; I163-I193 HydrophobicContact CG2-CD1 3.84Å; I163-V212 HydrophobicContact CG1-CG1 4.1Å
164E87.1Confident84Confident80 Ų8064 Ų6437%0.37434%0.338SS..Hα-helixtrans-63.8-43179.6-172.3164.7-173.900112.5K160 E161 G168 I173 I176K160-E164 IonicContact NZ-OE1 3.96Å; K160-E164 IonicContact NZ-OE2 2.7Å; K160-E164 PolarHBondContact NZ-OE2 2.85Å; K160-E164 WeakPolarHBondContact O-CB 3.02Å; K160-E164 PolarHBondContact O-N 3.19Å; E161-E164 PolarHBondContact O-N 3.34Å; E164-G168 WeakPolarHBondContact O-CA 3.25Å; E164-G168 PolarHBondContact O-N 3Å; E164-I173 HydrophobicContact CG-CD1 4.31Å; E164-I176 HydrophobicContact CB-CD1 3.67Å; E164-I176 HydrophobicContact CG-CD1 3.92Å
165E87.6Confident84.1Confident150 Ų15066.6 Ų66.670%0.70135%0.354SS*.Hα-helixtrans-61.7-49175.6-174.7178.8-174.500110.8E161 T169E161-E165 WeakPolarHBondContact O-CB 3.45Å; E161-E165 PolarHBondContact O-N 3.25Å; E165-T169 WeakPolarHBondContact O-CG2 3.36Å; E165-T169 PolarHBondContact O-N 2.92Å
166Y87.6Confident84.4Confident72 Ų7264.9 Ų64.928%0.28235%0.345SS..Hα-helixtrans-67.1-50.6-179.5-175.3-95.1000112.3V162 I163 G168 T169 F170 H210 V212V162-Y166 WeakPolarHBondContact O-CB 3.11Å; V162-Y166 PolarHBondContact O-N 3.05Å; V162-Y166 VanDerWaalsContact O-N 3.1Å; I163-Y166 PolarHBondContact O-N 2.96Å; Y166-G168 VanDerWaalsContact C-N 3.3Å; Y166-G168 PolarHBondContact O-N 3.13Å; Y166-T169 PolarHBondContact O-N 3.37Å; Y166-T169 PolarHBondContact O-OG1 2.8Å; Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 AromaticContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CZ 4.14Å; Y166-F170 AromaticContact CZ-CE2 3.89Å; Y166-F170 VanDerWaalsContact O-CD2 3.3Å; Y166-F170 WeakPolarHBondContact O-CD2 3.46Å; Y166-F170 WeakPolarHBondContact O-CE2 3.44Å; Y166-H210 HydrophobicContact CE1-CB 3.82Å; Y166-H210 AromaticContact CE1-CG 3.91Å; Y166-H210 AromaticContact CE1-ND1 3.35Å; Y166-H210 WeakPolarHBondContact CE1-ND1 3.21Å; Y166-H210 AromaticContact CZ-ND1 3.6Å; Y166-H210 PolarHBondContact OH-ND1 2.81Å; Y166-V212 HydrophobicContact CD1-CG2 3.42Å; Y166-V212 VanDerWaalsContact CD1-CG2 3.42Å; Y166-V212 HydrophobicContact CD2-CG2 4.47Å; Y166-V212 HydrophobicContact CE1-CG2 3.74Å; Y166-V212 HydrophobicContact CG-CG2 3.82Å
167F85.8Confident84.9Confident0 Ų066.5 Ų66.50%035%0.348CS..Hα-helixtrans-74.4-22.3-178-77.8-71.6000113.1I149 V151 I163 T169 F170 I173 I193 Y195 V204 V212 I219I149-F167 HydrophobicContact CD1-CD1 4.43Å; I149-F167 HydrophobicContact CD1-CE1 4.42Å; V151-F167 HydrophobicContact CB-CZ 4.35Å; V151-F167 HydrophobicContact CG1-CE2 3.99Å; V151-F167 HydrophobicContact CG1-CZ 3.67Å; V151-F167 HydrophobicContact CG2-CE1 4.11Å; V151-F167 HydrophobicContact CG2-CE2 4.19Å; V151-F167 HydrophobicContact CG2-CZ 3.73Å; I163-F167 HydrophobicContact CB-CD2 4.43Å; I163-F167 HydrophobicContact CG2-CD2 3.51Å; I163-F167 HydrophobicContact CG2-CE2 3.95Å; I163-F167 VanDerWaalsContact O-CB 3.23Å; I163-F167 WeakPolarHBondContact O-CB 3.33Å; I163-F167 VanDerWaalsContact O-CD2 3.23Å; I163-F167 WeakPolarHBondContact O-CD2 3.39Å; I163-F167 PolarHBondContact O-N 3.14Å; F167-T169 VanDerWaalsContact C-N 3.29Å; F167-F170 PolarHBondContact O-N 3.09Å; F167-I173 HydrophobicContact CB-CD1 3.78Å; F167-I193 HydrophobicContact CB-CD1 3.75Å; F167-I193 HydrophobicContact CD1-CD1 3.99Å; F167-I193 HydrophobicContact CD2-CD1 3.41Å; F167-I193 VanDerWaalsContact CD2-CD1 3.41Å; F167-I193 HydrophobicContact CE1-CD1 4.5Å; F167-I193 HydrophobicContact CE2-CD1 3.97Å; F167-I193 HydrophobicContact CG-CD1 3.41Å; F167-I193 VanDerWaalsContact CG-CD1 3.41Å; F167-I193 HydrophobicContact CZ-CD1 4.49Å; F167-Y195 WeakPolarHBondContact CB-OH 3.35Å; F167-Y195 WeakPolarHBondContact CD1-OH 3.32Å; F167-Y195 PolarHBondContact O-OH 2.81Å; F167-V204 HydrophobicContact CD1-CG1 4.18Å; F167-V204 HydrophobicContact CD1-CG2 4.4Å; F167-V204 HydrophobicContact CE1-CG1 3.88Å; F167-V212 HydrophobicContact CE2-CG2 4Å; F167-V212 HydrophobicContact CZ-CG2 4.38Å; F167-I219 HydrophobicContact CE1-CD1 3.51Å; F167-I219 HydrophobicContact CZ-CD1 3.91Å
168G84.4Confident85.2Confident36 Ų3662.1 Ų62.137%0.37132%0.324SS..Hα-helixtrans-67.6-27172.300000112.7E164 Y166 F170 G171E164-G168 WeakPolarHBondContact O-CA 3.25Å; E164-G168 PolarHBondContact O-N 3Å; Y166-G168 VanDerWaalsContact C-N 3.3Å; Y166-G168 PolarHBondContact O-N 3.13Å; G168-F170 PolarHBondContact O-N 2.68Å; G168-G171 WeakPolarHBondContact CA-O 3.46Å; G168-G171 PolarHBondContact O-N 2.97Å
169T87.3Confident85.1Confident109 Ų10963.5 Ų63.567%0.66933%0.334SS*.THydrogen-bonded Turntrans-63.6-25.9173.468.60000113.2E165 Y166 F167E165-T169 WeakPolarHBondContact O-CG2 3.36Å; E165-T169 PolarHBondContact O-N 2.92Å; Y166-T169 PolarHBondContact O-N 3.37Å; Y166-T169 PolarHBondContact O-OG1 2.8Å; F167-T169 VanDerWaalsContact C-N 3.29Å
170F84.1Confident85Confident33 Ų3366.7 Ų66.715%0.14534%0.343CS..THydrogen-bonded Turntrans-89.2-20.1-179.2-60.8-88000112.9Y166 F167 G168 V204 H210Y166-F170 AromaticContact CD1-CE2 3.97Å; Y166-F170 HydrophobicContact CD1-CE2 3.97Å; Y166-F170 AromaticContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CE2 3.57Å; Y166-F170 HydrophobicContact CE1-CZ 4.14Å; Y166-F170 AromaticContact CZ-CE2 3.89Å; Y166-F170 VanDerWaalsContact O-CD2 3.3Å; Y166-F170 WeakPolarHBondContact O-CD2 3.46Å; Y166-F170 WeakPolarHBondContact O-CE2 3.44Å; F167-F170 PolarHBondContact O-N 3.09Å; G168-F170 PolarHBondContact O-N 2.68Å; F170-V204 HydrophobicContact CB-CG2 3.33Å; F170-V204 HydrophobicContact CD1-CG2 4.12Å; F170-V204 HydrophobicContact CD2-CG2 4.13Å; F170-V204 HydrophobicContact CG-CG2 3.6Å; F170-H210 AromaticContact CE1-CE1 3.88Å; F170-H210 AromaticContact CZ-CE1 3.53Å; F170-H210 AromaticContact CZ-ND1 3.75Å
171G84.3Confident84.5Confident17 Ų1764.9 Ų64.918%0.17534%0.338CS..SBendtrans164.8173.8173.400000113.5G168 I173 Y195 S200G168-G171 WeakPolarHBondContact CA-O 3.46Å; G168-G171 PolarHBondContact O-N 2.97Å; G171-I173 PolarHBondContact O-N 3.07Å; G171-Y195 WeakPolarHBondContact O-CE1 3.41Å; G171-S200 WeakPolarHBondContact CA-OG 3.41Å
172E86.9Confident83.6Confident114 Ų11463.9 Ų63.953%0.53334%0.344SS..  trans-73.6118.8-175-164.4179.1174.500111.7Y195 K196E172-Y195 WeakPolarHBondContact O-CD1 3.38Å; E172-K196 HydrophobicContact CG-CD 3.97Å; E172-K196 HydrophobicContact CG-CG 4.46Å; E172-K196 PolarHBondContact O-N 3.01Å; E172-K196 WeakPolarHBondContact OE1-CE 3.31Å; E172-K196 IonicContact OE1-NZ 2.68Å; E172-K196 PolarHBondContact OE1-NZ 2.98Å
173I88.6Confident82.7Confident26 Ų2670.2 Ų70.213%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-83.3131.5179.8-59.1171.7000109.1E164 F167 G171 I176 I193 Y195E164-I173 HydrophobicContact CG-CD1 4.31Å; F167-I173 HydrophobicContact CB-CD1 3.78Å; G171-I173 PolarHBondContact O-N 3.07Å; I173-I176 HydrophobicContact CD1-CD1 4.03Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.51Å; I173-I193 HydrophobicContact CB-CG2 4.39Å; I173-I193 HydrophobicContact CD1-CG2 4.09Å; I173-I193 HydrophobicContact CG1-CG2 3.92Å; I173-I193 HydrophobicContact CG2-CG2 3.66Å; I173-Y195 HydrophobicContact CG1-CD1 4.09Å; I173-Y195 HydrophobicContact CG1-CE1 3.68Å
174E87.1Confident82Confident110 Ų11074.2 Ų74.251%0.51439%0.391SS..EExtended strand (participates in β ladder)trans-87.4-50.6173.4-167.7-177.4-17600111T194 K196E174-T194 WeakPolarHBondContact CA-O 3.31Å; E174-T194 WeakPolarHBondContact CB-O 3.45Å; E174-T194 PolarHBondContact N-O 2.8Å; E174-K196 HydrophobicContact CB-CG 3.78Å; E174-K196 HydrophobicContact CG-CG 4.2Å
175T83.4Confident80.9Confident63 Ų6378.2 Ų78.239%0.38741%0.41SS..EExtended strand (participates in β ladder)trans-145.6146-178.655.50000111.9T194T175-T194 PolarHBondContact N-O 3.47Å; T175-T194 VanDerWaalsContact N-O 3.16Å; T175-T194 PolarHBondContact O-N 2.81Å; T175-T194 WeakPolarHBondContact OG1-CB 3.15Å; T175-T194 PolarHBondContact OG1-OG1 3.47Å
176I85Confident79.9Confident24 Ų2478.3 Ų78.312%0.12341%0.408CS..EExtended strand (participates in β ladder)trans-124.8119.2173-51.9-179.4000108.2K160 E164 I173 L178 V191 F192 I193K160-I176 HydrophobicContact CG-CD1 4.26Å; K160-I176 HydrophobicContact CG-CG2 4.45Å; E164-I176 HydrophobicContact CB-CD1 3.67Å; E164-I176 HydrophobicContact CG-CD1 3.92Å; I173-I176 HydrophobicContact CD1-CD1 4.03Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.51Å; I176-L178 HydrophobicContact CB-CD1 4.45Å; I176-L178 HydrophobicContact CG2-CD1 3.58Å; I176-L178 HydrophobicContact CG2-CG 4.4Å; I176-V191 HydrophobicContact CG2-CG1 3.44Å; I176-V191 VanDerWaalsContact CG2-CG1 3.44Å; I176-F192 CarbonylContact C-O 3.52Å; I176-F192 WeakPolarHBondContact CA-O 3.38Å; I176-I193 HydrophobicContact CG2-CG1 4.31Å
177E84.3Confident78.9Confident87 Ų8779.1 Ų79.141%0.40741%0.411SS..EExtended strand (participates in β ladder)trans-108124.3175.3-65.1167.8-146.100109.2K148 P179 V191 F192K148-E177 IonicContact NZ-OE1 2.65Å; K148-E177 PolarHBondContact NZ-OE1 3.29Å; K148-E177 IonicContact NZ-OE2 2.69Å; K148-E177 PolarHBondContact NZ-OE2 3.4Å; E177-P179 VanDerWaalsContact O-CD 3.28Å; E177-P179 WeakPolarHBondContact O-CD 3.27Å; E177-V191 WeakPolarHBondContact O-CG1 3.09Å; E177-F192 HydrophobicContact CB-CB 4.24Å; E177-F192 PolarHBondContact N-O 2.79Å; E177-F192 PolarHBondContact O-N 2.76Å
178L83.8Confident78Confident43 Ų4385 Ų8523%0.22543%0.433CS..  trans-114.286175.4-63.989.7000109.5K160 I163 I176 Q180 V191K160-L178 HydrophobicContact CB-CD1 4.2Å; K160-L178 HydrophobicContact CD-CD1 4.33Å; K160-L178 HydrophobicContact CG-CD1 4.12Å; I163-L178 HydrophobicContact CD1-CD2 4.22Å; I176-L178 HydrophobicContact CB-CD1 4.45Å; I176-L178 HydrophobicContact CG2-CD1 3.58Å; I176-L178 HydrophobicContact CG2-CG 4.4Å; L178-Q180 PolarHBondContact O-N 3.49Å; L178-V191 HydrophobicContact CB-CG2 4.36Å; L178-V191 HydrophobicContact CD1-CG1 4.45Å; L178-V191 HydrophobicContact CD2-CG2 3.77Å; L178-V191 HydrophobicContact CG-CB 4.42Å; L178-V191 HydrophobicContact CG-CG1 4.01Å; L178-V191 HydrophobicContact CG-CG2 3.64Å
179P78.3Confident77.6Confident41 Ų4184.7 Ų84.727%0.26643%0.43SS..PPolyproline II helixtrans-62.3121.4177.6-26.138.3000111.5E177 R188 F190 F192E177-P179 VanDerWaalsContact O-CD 3.28Å; E177-P179 WeakPolarHBondContact O-CD 3.27Å; P179-R188 WeakPolarHBondContact O-CB 3.22Å; P179-R188 WeakPolarHBondContact O-CG 3.41Å; P179-R188 PolarHBondContact O-N 3.49Å; P179-F190 HydrophobicContact CB-CE2 3.89Å; P179-F190 HydrophobicContact CB-CZ 4.25Å; P179-F190 HydrophobicContact CG-CE2 3.83Å; P179-F192 HydrophobicContact CG-CD2 3.94Å; P179-F192 HydrophobicContact CG-CE2 3.99Å
180Q79.4Confident77.4Confident98 Ų9881.3 Ų81.346%0.45841%0.406SS..BIsolated β-bridgetrans-93151.3172.8-55.5-176.98.100109.4L178 P182 E185 R187L178-Q180 PolarHBondContact O-N 3.49Å; Q180-P182 WeakPolarHBondContact O-CD 3.4Å; Q180-E185 PolarHBondContact OE1-O 3.39Å; Q180-R187 HydrophobicContact CG-CG 4.22Å
181D72.8Confident77.6Confident49 Ų4979.9 Ų79.926%0.26240%0.4SS..PPolyproline II helixtrans-73.3120.7177.9-163.9-44.6000108.6K183 T184 E185 K186 R188D181-K183 PolarHBondContact O-N 3.08Å; D181-K183 VanDerWaalsContact O-N 3.08Å; D181-K183 PolarHBondContact OD1-N 3.13Å; D181-T184 WeakPolarHBondContact CB-OG1 3.39Å; D181-T184 PolarHBondContact O-N 3.4Å; D181-E185 WeakPolarHBondContact O-CA 3.09Å; D181-E185 PolarHBondContact O-N 3.02Å; D181-K186 PolarHBondContact N-O 3.04Å; D181-R188 HydrophobicContact CB-CG 3.85Å
182P66.9Low77.7Confident126 Ų12681.2 Ų81.282%0.81840%0.401SS*.THydrogen-bonded Turntrans-64.5-15.2-177.326.4-35.3000113.4Q180Q180-P182 WeakPolarHBondContact O-CD 3.4Å
183K68.7Low77.8Confident195 Ų19575.8 Ų75.885%0.84838%0.375SS*.THydrogen-bonded Turntrans-94.1-31.6-178.8-65-176.8179.5-177.40113.8D181D181-K183 PolarHBondContact O-N 3.08Å; D181-K183 VanDerWaalsContact O-N 3.08Å; D181-K183 PolarHBondContact OD1-N 3.13Å
184T69.4Low77.7Confident86 Ų8675.5 Ų75.553%0.52838%0.375SS..THydrogen-bonded Turntrans-113.3-6.8-175.457.80000113.1D181 K186D181-T184 WeakPolarHBondContact CB-OG1 3.39Å; D181-T184 PolarHBondContact O-N 3.4Å; T184-K186 PolarHBondContact O-N 3.34Å
185E62.5Low77.8Confident163 Ų16370.2 Ų70.276%0.76235%0.35SS*.  trans54.5-3.8-173.4-152.4170.3-161.700114.6Q180 D181Q180-E185 PolarHBondContact OE1-O 3.39Å; D181-E185 WeakPolarHBondContact O-CA 3.09Å; D181-E185 PolarHBondContact O-N 3.02Å
186K67.1Low77.9Confident152 Ų15271.5 Ų71.566%0.66135%0.35SS*.SBendtrans-69139.2170-68.9-177.4179.3-173.40109.6D181 T184 R188D181-K186 PolarHBondContact N-O 3.04Å; T184-K186 PolarHBondContact O-N 3.34Å; K186-R188 PolarHBondContact O-N 2.99Å
187R66.6Low77.8Confident90 Ų9075.5 Ų75.534%0.3437%0.369SS..BIsolated β-bridgetrans-58130174.6-53.9-161.1-177.2131.8-10.5108.8P156 T158 Q180 G189P156-R187 HydrophobicContact CB-CB 3.92Å; P156-R187 WeakPolarHBondContact O-CD 3.47Å; P156-R187 PolarHBondContact O-NH1 3.01Å; T158-R187 PolarHBondContact O-NH1 2.87Å; Q180-R187 HydrophobicContact CG-CG 4.22Å; R187-G189 PolarHBondContact O-N 3.47Å
188R66.2Low77.6Confident123 Ų12374.6 Ų74.646%0.46437%0.365SS..PPolyproline II helixtrans-68.6131.1166.7-53.7179.976.8-171.3-2.9104.2P179 D181 K186 F190P179-R188 WeakPolarHBondContact O-CB 3.22Å; P179-R188 WeakPolarHBondContact O-CG 3.41Å; P179-R188 PolarHBondContact O-N 3.49Å; D181-R188 HydrophobicContact CB-CG 3.85Å; K186-R188 PolarHBondContact O-N 2.99Å; R188-F190 HydrophobicContact CB-CD1 3.6Å; R188-F190 HydrophobicContact CB-CE1 3.22Å; R188-F190 HydrophobicContact CB-CE2 4.5Å; R188-F190 HydrophobicContact CB-CG 4.42Å; R188-F190 HydrophobicContact CB-CZ 3.73Å; R188-F190 HydrophobicContact CG-CE1 4.02Å; R188-F190 HydrophobicContact CG-CZ 4.26Å; R188-F190 PolarHBondContact O-N 3.45Å
189G76.4Confident77.5Confident30 Ų3075.7 Ų75.731%0.30937%0.374SS..SBendtrans-67.542-173.900000114.2G152 G153 L154 R187G152-G189 CarbonylContact C-O 3.6Å; G153-G189 PolarHBondContact N-O 2.71Å; L154-G189 PolarHBondContact N-O 3.34Å; L154-G189 CarbonylContact O-C 3.58Å; L154-G189 WeakPolarHBondContact O-CA 3.46Å; R187-G189 PolarHBondContact O-N 3.47Å
190F84.4Confident77.9Confident37 Ų3774 Ų7416%0.16236%0.364CS..EExtended strand (participates in β ladder)trans-145152.3176.264.9-100.3000111.3F150 V151 P179 R188 F192F150-F190 HydrophobicContact CD2-CB 4.34Å; F150-F190 HydrophobicContact CD2-CD2 4.3Å; F150-F190 HydrophobicContact CE2-CB 3.43Å; F150-F190 VanDerWaalsContact CE2-CB 3.43Å; F150-F190 HydrophobicContact CE2-CD1 4.31Å; F150-F190 AromaticContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CD2 3.63Å; F150-F190 HydrophobicContact CE2-CE2 4.44Å; F150-F190 AromaticContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CE2-CG 3.55Å; F150-F190 HydrophobicContact CZ-CB 3.54Å; F150-F190 HydrophobicContact CZ-CG 4Å; V151-F190 CarbonylContact O-C 3.57Å; V151-F190 WeakPolarHBondContact O-CA 3.37Å; V151-F190 WeakPolarHBondContact O-CB 3.26Å; P179-F190 HydrophobicContact CB-CE2 3.89Å; P179-F190 HydrophobicContact CB-CZ 4.25Å; P179-F190 HydrophobicContact CG-CE2 3.83Å; R188-F190 HydrophobicContact CB-CD1 3.6Å; R188-F190 HydrophobicContact CB-CE1 3.22Å; R188-F190 HydrophobicContact CB-CE2 4.5Å; R188-F190 HydrophobicContact CB-CG 4.42Å; R188-F190 HydrophobicContact CB-CZ 3.73Å; R188-F190 HydrophobicContact CG-CE1 4.02Å; R188-F190 HydrophobicContact CG-CZ 4.26Å; R188-F190 PolarHBondContact O-N 3.45Å; F190-F192 HydrophobicContact CD2-CD2 4.45Å; F190-F192 AromaticContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CZ 4.48Å; F190-F192 HydrophobicContact CE2-CD2 4.46Å; F190-F192 AromaticContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CZ 4.34Å
191V86.7Confident78Confident4 Ų469.8 Ų69.82%0.02434%0.344CS..EExtended strand (participates in β ladder)trans-135.6145.9-178.3174.20000108.8V151 L154 I163 I176 E177 L178 I193V151-V191 PolarHBondContact N-O 3.23Å; V151-V191 PolarHBondContact O-N 3.47Å; L154-V191 HydrophobicContact CD1-CB 3.83Å; L154-V191 HydrophobicContact CD1-CG2 3.56Å; I163-V191 HydrophobicContact CD1-CG2 3.92Å; I163-V191 HydrophobicContact CG2-CG1 4.43Å; I176-V191 HydrophobicContact CG2-CG1 3.44Å; I176-V191 VanDerWaalsContact CG2-CG1 3.44Å; E177-V191 WeakPolarHBondContact O-CG1 3.09Å; L178-V191 HydrophobicContact CB-CG2 4.36Å; L178-V191 HydrophobicContact CD1-CG1 4.45Å; L178-V191 HydrophobicContact CD2-CG2 3.77Å; L178-V191 HydrophobicContact CG-CB 4.42Å; L178-V191 HydrophobicContact CG-CG1 4.01Å; L178-V191 HydrophobicContact CG-CG2 3.64Å; V191-I193 HydrophobicContact CG1-CG1 3.99Å
192F88.4Confident78.5Confident44 Ų4473.8 Ų73.819%0.19336%0.359CS..EExtended strand (participates in β ladder)trans-106.1132.1167.9-62.3-85.8000110K148 I149 F150 I176 E177 P179 F190 A222K148-F192 HydrophobicContact CD-CB 4.48Å; K148-F192 HydrophobicContact CG-CB 4.38Å; I149-F192 VanDerWaalsContact O-CA 3.31Å; I149-F192 WeakPolarHBondContact O-CA 3.35Å; F150-F192 HydrophobicContact CB-CD1 4.17Å; F150-F192 HydrophobicContact CB-CE1 4.03Å; F150-F192 HydrophobicContact CD2-CD1 4.14Å; F150-F192 AromaticContact CD2-CE1 3.57Å; F150-F192 HydrophobicContact CD2-CE1 3.57Å; F150-F192 AromaticContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CD2-CZ 3.77Å; F150-F192 HydrophobicContact CE2-CZ 4.35Å; F150-F192 HydrophobicContact CG-CE1 4.29Å; I176-F192 CarbonylContact C-O 3.52Å; I176-F192 WeakPolarHBondContact CA-O 3.38Å; E177-F192 HydrophobicContact CB-CB 4.24Å; E177-F192 PolarHBondContact N-O 2.79Å; E177-F192 PolarHBondContact O-N 2.76Å; P179-F192 HydrophobicContact CG-CD2 3.94Å; P179-F192 HydrophobicContact CG-CE2 3.99Å; F190-F192 HydrophobicContact CD2-CD2 4.45Å; F190-F192 AromaticContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CE2 3.95Å; F190-F192 HydrophobicContact CD2-CZ 4.48Å; F190-F192 HydrophobicContact CE2-CD2 4.46Å; F190-F192 AromaticContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CE2 3.7Å; F190-F192 HydrophobicContact CE2-CZ 4.34Å; F192-A222 HydrophobicContact CD1-CB 3.97Å; F192-A222 HydrophobicContact CE1-CB 4.18Å
193I87.7Confident79.4Confident0 Ų073.5 Ų73.50%035%0.345CS..EExtended strand (participates in β ladder)trans-121.9126.1178.7-55.5178.1000107.5K148 I149 V151 I163 F167 I173 I176 V191 Y195K148-I193 CarbonylContact C-O 3.57Å; K148-I193 VanDerWaalsContact CA-O 3.31Å; K148-I193 WeakPolarHBondContact CA-O 3.48Å; I149-I193 HydrophobicContact CD1-CB 4.17Å; I149-I193 HydrophobicContact CD1-CD1 4.41Å; I149-I193 HydrophobicContact CG1-CB 3.73Å; I149-I193 WeakPolarHBondContact CG1-O 3.43Å; I149-I193 PolarHBondContact N-O 2.8Å; I149-I193 PolarHBondContact O-N 3.03Å; V151-I193 HydrophobicContact CG2-CD1 4Å; V151-I193 HydrophobicContact CG2-CG1 4.43Å; I163-I193 HydrophobicContact CG2-CD1 3.84Å; F167-I193 HydrophobicContact CB-CD1 3.75Å; F167-I193 HydrophobicContact CD1-CD1 3.99Å; F167-I193 HydrophobicContact CD2-CD1 3.41Å; F167-I193 VanDerWaalsContact CD2-CD1 3.41Å; F167-I193 HydrophobicContact CE1-CD1 4.5Å; F167-I193 HydrophobicContact CE2-CD1 3.97Å; F167-I193 HydrophobicContact CG-CD1 3.41Å; F167-I193 VanDerWaalsContact CG-CD1 3.41Å; F167-I193 HydrophobicContact CZ-CD1 4.49Å; I173-I193 HydrophobicContact CB-CG2 4.39Å; I173-I193 HydrophobicContact CD1-CG2 4.09Å; I173-I193 HydrophobicContact CG1-CG2 3.92Å; I173-I193 HydrophobicContact CG2-CG2 3.66Å; I176-I193 HydrophobicContact CG2-CG1 4.31Å; V191-I193 HydrophobicContact CG1-CG1 3.99Å; I193-Y195 HydrophobicContact CB-CE2 4.5Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.85Å
194T87.5Confident80.1Confident20 Ų2064.2 Ų64.212%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-103.9123.2171.9-45.30000108.1K147 E174 T175K147-T194 HydrophobicContact CB-CG2 4.14Å; K147-T194 CarbonylContact O-C 3.53Å; K147-T194 WeakPolarHBondContact O-CA 3.39Å; E174-T194 WeakPolarHBondContact CA-O 3.31Å; E174-T194 WeakPolarHBondContact CB-O 3.45Å; E174-T194 PolarHBondContact N-O 2.8Å; T175-T194 PolarHBondContact N-O 3.47Å; T175-T194 VanDerWaalsContact N-O 3.16Å; T175-T194 PolarHBondContact O-N 2.81Å; T175-T194 WeakPolarHBondContact OG1-CB 3.15Å; T175-T194 PolarHBondContact OG1-OG1 3.47Å
195Y89Confident80.7Confident0 Ų062.8 Ų62.80%029%0.293CS..EExtended strand (participates in β ladder)trans-92150.1175-73.8-83.8000111.3K147 I149 F167 G171 E172 I173 I193 E197 V201 V204K147-Y195 WeakPolarHBondContact CB-O 3.23Å; K147-Y195 PolarHBondContact O-N 3.44Å; I149-Y195 HydrophobicContact CD1-CE2 3.65Å; I149-Y195 HydrophobicContact CG1-CD2 4.49Å; I149-Y195 HydrophobicContact CG1-CE2 3.98Å; F167-Y195 WeakPolarHBondContact CB-OH 3.35Å; F167-Y195 WeakPolarHBondContact CD1-OH 3.32Å; F167-Y195 PolarHBondContact O-OH 2.81Å; G171-Y195 WeakPolarHBondContact O-CE1 3.41Å; E172-Y195 WeakPolarHBondContact O-CD1 3.38Å; I173-Y195 HydrophobicContact CG1-CD1 4.09Å; I173-Y195 HydrophobicContact CG1-CE1 3.68Å; I193-Y195 HydrophobicContact CB-CE2 4.5Å; I193-Y195 HydrophobicContact CG2-CD2 4.23Å; I193-Y195 HydrophobicContact CG2-CE2 3.85Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 WeakPolarHBondContact CB-O 3.35Å; Y195-V201 HydrophobicContact CD2-CG2 3.7Å; Y195-V201 HydrophobicContact CG-CG2 4.29Å; Y195-V204 HydrophobicContact CE2-CG2 4.27Å; Y195-V204 WeakPolarHBondContact OH-CG2 3.12Å
196K85.6Confident81.7Confident89 Ų8962.7 Ų62.739%0.38729%0.292SS..SBendtrans-65.9-41.7170.3-66.4-169.1-175.51760111.3K147 E172 E174K147-K196 PolarHBondContact NZ-O 3.01Å; K147-K196 VanDerWaalsContact NZ-O 3.08Å; E172-K196 HydrophobicContact CG-CD 3.97Å; E172-K196 HydrophobicContact CG-CG 4.46Å; E172-K196 PolarHBondContact O-N 3.01Å; E172-K196 WeakPolarHBondContact OE1-CE 3.31Å; E172-K196 IonicContact OE1-NZ 2.68Å; E172-K196 PolarHBondContact OE1-NZ 2.98Å; E174-K196 HydrophobicContact CB-CG 3.78Å; E174-K196 HydrophobicContact CG-CG 4.2Å
197E82Confident82.3Confident108 Ų10861 Ų6151%0.50529%0.285SS..SBendtrans-104.4132.1-173.8-67.7-59.3152.100112.2Y195 P199 S200Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 WeakPolarHBondContact CB-O 3.35Å; E197-P199 HydrophobicContact CB-CG 4.04Å; E197-S200 WeakPolarHBondContact O-CB 3.3Å; E197-S200 PolarHBondContact O-N 2.81Å; E197-S200 PolarHBondContact O-OG 3.31Å
198E80.6Confident82.6Confident69 Ų6964.4 Ų64.432%0.32230%0.302SS..Hα-helixtrans-57.4-43170.5178.8-175.7159.200114.3P145 S200 V201 K202P145-E198 HydrophobicContact CB-CB 4.43Å; P145-E198 HydrophobicContact CB-CG 3.64Å; P145-E198 VanDerWaalsContact CB-OE2 3.28Å; P145-E198 WeakPolarHBondContact CB-OE2 3.36Å; P145-E198 HydrophobicContact CG-CG 4.42Å; P145-E198 VanDerWaalsContact CG-OE2 3.27Å; P145-E198 WeakPolarHBondContact CG-OE2 3.4Å; E198-S200 PolarHBondContact O-N 3.01Å; E198-S200 VanDerWaalsContact O-N 3.13Å; E198-V201 WeakPolarHBondContact O-CB 3.43Å; E198-V201 PolarHBondContact O-N 2.79Å; E198-V201 VanDerWaalsContact O-N 3.08Å; E198-K202 PolarHBondContact O-N 3.29Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.48Å; E198-K202 IonicContact OE1-NZ 2.97Å; E198-K202 PolarHBondContact OE1-NZ 3.47Å
199P82.3Confident83.4Confident65 Ų6564.7 Ų64.742%0.42230%0.304SS..Hα-helixtrans-60.7-25.8-178.422.2-35.3000113.2E197 V201 K202 K203E197-P199 HydrophobicContact CB-CG 4.04Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 2.84Å; P199-K202 PolarHBondContact O-N 3.26Å; P199-K203 WeakPolarHBondContact O-CG 3.46Å; P199-K203 PolarHBondContact O-N 2.96Å
200S85.3Confident83.8Confident7 Ų763.3 Ų63.35%0.04929%0.29CS..Hα-helixtrans-61.1-43.3175.5-48.40000111.4G171 E197 E198 K202 K203 V204G171-S200 WeakPolarHBondContact CA-OG 3.41Å; E197-S200 WeakPolarHBondContact O-CB 3.3Å; E197-S200 PolarHBondContact O-N 2.81Å; E197-S200 PolarHBondContact O-OG 3.31Å; E198-S200 PolarHBondContact O-N 3.01Å; E198-S200 VanDerWaalsContact O-N 3.13Å; S200-K202 PolarHBondContact O-N 3.3Å; S200-K203 PolarHBondContact O-N 3.27Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.08Å; S200-V204 VanDerWaalsContact O-N 3.07Å
201V82.9Confident83.8Confident8 Ų866 Ų665%0.04831%0.309CS..Hα-helixtrans-62.4-43.6176.7174.70000111.1I149 Y195 E198 P199 V204 M205I149-V201 HydrophobicContact CG2-CB 4.15Å; I149-V201 HydrophobicContact CG2-CG1 3.49Å; I149-V201 VanDerWaalsContact CG2-CG1 3.49Å; I149-V201 HydrophobicContact CG2-CG2 3.91Å; Y195-V201 HydrophobicContact CD2-CG2 3.7Å; Y195-V201 HydrophobicContact CG-CG2 4.29Å; E198-V201 WeakPolarHBondContact O-CB 3.43Å; E198-V201 PolarHBondContact O-N 2.79Å; E198-V201 VanDerWaalsContact O-N 3.08Å; P199-V201 VanDerWaalsContact C-N 3.34Å; P199-V201 PolarHBondContact O-N 2.84Å; V201-V204 PolarHBondContact O-N 2.67Å; V201-M205 HydrophobicContact CG1-CE 3.75Å; V201-M205 HydrophobicContact CG1-CG 4.44Å; V201-M205 HydrophobicContact CG1-SD 3.95Å; V201-M205 WeakPolarHBondContact O-CB 3.42Å; V201-M205 VanDerWaalsContact O-CG 3.32Å; V201-M205 WeakPolarHBondContact O-CG 3.34Å; V201-M205 PolarHBondContact O-N 3.41Å
202K83.4Confident83.5Confident133 Ų13365.9 Ų65.958%0.57831%0.309SS*.Hα-helixtrans-62.4-45178.9-75.3171.91691620111.9E198 P199 S200 V204 M205 E206E198-K202 PolarHBondContact O-N 3.29Å; E198-K202 VanDerWaalsContact OE1-CE 3.26Å; E198-K202 WeakPolarHBondContact OE1-CE 3.48Å; E198-K202 IonicContact OE1-NZ 2.97Å; E198-K202 PolarHBondContact OE1-NZ 3.47Å; P199-K202 PolarHBondContact O-N 3.26Å; S200-K202 PolarHBondContact O-N 3.3Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 3.42Å; K202-M205 PolarHBondContact O-N 2.99Å; K202-E206 PolarHBondContact O-N 3.36Å
203K84.4Confident82.6Confident121 Ų12165.9 Ų65.953%0.52632%0.321SS..Hα-helixtrans-61.8-41.1177.1-72.4175.2-178.6179.60112.4P199 S200 E206P199-K203 WeakPolarHBondContact O-CG 3.46Å; P199-K203 PolarHBondContact O-N 2.96Å; S200-K203 PolarHBondContact O-N 3.27Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 3.1Å
204V83.9Confident82.1Confident0 Ų069.4 Ų69.40%036%0.358CS..Hα-helixtrans-67.8-39.3176.5176.20000110.8I149 F167 F170 Y195 S200 V201 K202 E206 K207 H210 I219I149-V204 HydrophobicContact CD1-CG1 3.85Å; F167-V204 HydrophobicContact CD1-CG1 4.18Å; F167-V204 HydrophobicContact CD1-CG2 4.4Å; F167-V204 HydrophobicContact CE1-CG1 3.88Å; F170-V204 HydrophobicContact CB-CG2 3.33Å; F170-V204 HydrophobicContact CD1-CG2 4.12Å; F170-V204 HydrophobicContact CD2-CG2 4.13Å; F170-V204 HydrophobicContact CG-CG2 3.6Å; Y195-V204 HydrophobicContact CE2-CG2 4.27Å; Y195-V204 WeakPolarHBondContact OH-CG2 3.12Å; S200-V204 VanDerWaalsContact O-CG2 3.25Å; S200-V204 WeakPolarHBondContact O-CG2 3.47Å; S200-V204 PolarHBondContact O-N 3.08Å; S200-V204 VanDerWaalsContact O-N 3.07Å; V201-V204 PolarHBondContact O-N 2.67Å; K202-V204 VanDerWaalsContact C-N 3.34Å; K202-V204 PolarHBondContact O-N 3.42Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 3Å; V204-K207 PolarHBondContact O-N 2.65Å; V204-H210 PolarHBondContact O-NE2 3.24Å; V204-I219 HydrophobicContact CG1-CD1 3.12Å; V204-I219 HydrophobicContact CG1-CG1 4.38Å; V204-I219 HydrophobicContact CG1-CG2 4.04Å
205M82Confident81.7Confident56 Ų5669.8 Ų69.828%0.27636%0.361SS..Hα-helixtrans-72.4-17.5178.3-74.2-174.317900114.6I149 V201 K202 K207 I219 I221I149-M205 HydrophobicContact CG2-CE 3.75Å; V201-M205 HydrophobicContact CG1-CE 3.75Å; V201-M205 HydrophobicContact CG1-CG 4.44Å; V201-M205 HydrophobicContact CG1-SD 3.95Å; V201-M205 WeakPolarHBondContact O-CB 3.42Å; V201-M205 VanDerWaalsContact O-CG 3.32Å; V201-M205 WeakPolarHBondContact O-CG 3.34Å; V201-M205 PolarHBondContact O-N 3.41Å; K202-M205 PolarHBondContact O-N 2.99Å; M205-K207 PolarHBondContact O-N 3.22Å; M205-I219 HydrophobicContact CE-CG2 4.49Å; M205-I219 HydrophobicContact CG-CG2 4.48Å; M205-I221 HydrophobicContact CE-CB 4.06Å; M205-I221 HydrophobicContact CE-CD1 4.48Å; M205-I221 HydrophobicContact CE-CG1 3.29Å; M205-I221 HydrophobicContact SD-CD1 4.22Å; M205-I221 HydrophobicContact SD-CG1 3.6Å; M205-I221 VanDerWaalsContact SD-CG1 3.6Å
206E82.4Confident81.5Confident161 Ų16176 Ų7675%0.75239%0.388SS*.Hα-helixtrans-58.8-35.1174.2-166.6175.3176.700111.2K202 K203 V204K202-E206 PolarHBondContact O-N 3.36Å; K203-E206 WeakPolarHBondContact O-CB 3.23Å; K203-E206 PolarHBondContact O-N 3.1Å; V204-E206 VanDerWaalsContact C-N 3.27Å; V204-E206 PolarHBondContact O-N 3Å
207K79.8Confident81.6Confident116 Ų11671.8 Ų71.850%0.50437%0.37SS..SBendtrans-98108.5173.6-70.8177.6-175.4176.50109.6V204 M205 Y209 H210V204-K207 PolarHBondContact O-N 2.65Å; M205-K207 PolarHBondContact O-N 3.22Å; K207-Y209 PolarHBondContact O-N 2.83Å; K207-Y209 VanDerWaalsContact O-N 3.14Å; K207-H210 WeakPolarHBondContact CB-NE2 3.43Å; K207-H210 PolarHBondContact O-CD2 2.82Å; K207-H210 PolarHBondContact O-NE2 2.84Å
208K74.3Confident81.7Confident162 Ų16270.1 Ų70.170%0.70436%0.362SS*.SBendtrans-59.5-26.8178.9-69-175.8177.8178.60114
209Y83.6Confident82Confident128 Ų12867.7 Ų67.750%0.50235%0.351SS..EExtended strand (participates in β ladder)trans-135.9136.3-179.7-57.5-73000110.6K207 K216 C217 E218K207-Y209 PolarHBondContact O-N 2.83Å; K207-Y209 VanDerWaalsContact O-N 3.14Å; Y209-K216 VanDerWaalsContact CB-CE 3.42Å; Y209-K216 HydrophobicContact CD1-CD 4.37Å; Y209-K216 HydrophobicContact CD1-CG 4.39Å; Y209-K216 HydrophobicContact CG-CD 4.48Å; Y209-C217 WeakPolarHBondContact CA-O 3.15Å; Y209-E218 HydrophobicContact CE1-CG 4.4Å
210H83.8Confident82.1Confident2 Ų269.4 Ų69.41%0.00935%0.352CS..EExtended strand (participates in β ladder)trans-119.6160.7173.2-69-103.2000109.5Y166 F170 V204 K207 K216 C217 I219Y166-H210 HydrophobicContact CE1-CB 3.82Å; Y166-H210 AromaticContact CE1-CG 3.91Å; Y166-H210 AromaticContact CE1-ND1 3.35Å; Y166-H210 WeakPolarHBondContact CE1-ND1 3.21Å; Y166-H210 AromaticContact CZ-ND1 3.6Å; Y166-H210 PolarHBondContact OH-ND1 2.81Å; F170-H210 AromaticContact CE1-CE1 3.88Å; F170-H210 AromaticContact CZ-CE1 3.53Å; F170-H210 AromaticContact CZ-ND1 3.75Å; V204-H210 PolarHBondContact O-NE2 3.24Å; K207-H210 WeakPolarHBondContact CB-NE2 3.43Å; K207-H210 PolarHBondContact O-CD2 2.82Å; K207-H210 PolarHBondContact O-NE2 2.84Å; H210-K216 CarbonylContact O-C 3.53Å; H210-K216 WeakPolarHBondContact O-CA 3.46Å; H210-C217 VanDerWaalsContact C-SG 3.55Å; H210-C217 WeakPolarHBondContact CB-SG 3.37Å; H210-C217 PolarHBondContact N-O 2.69Å; H210-C217 PolarHBondContact O-N 2.74Å; H210-C217 PolarHBondContact O-SG 3.1Å; H210-I219 HydrophobicContact CB-CD1 4.49Å; H210-I219 WeakPolarHBondContact CD2-CD1 3.48Å; H210-I219 WeakPolarHBondContact NE2-CD1 3.19Å
211T83.4Confident82Confident92 Ų9273.7 Ų73.756%0.56437%0.373SS*.EExtended strand (participates in β ladder)trans-122.6114176-55.90000107.7S215T211-S215 WeakPolarHBondContact CA-O 3.44Å
212V80.6Confident81.5Confident3 Ų373.7 Ų73.72%0.01837%0.374CS..EExtended strand (participates in β ladder)trans-131.7129.3-176.7-174.80000108.2L154 T158 V162 I163 Y166 F167 G214 S215L154-V212 HydrophobicContact CD2-CB 3.78Å; L154-V212 HydrophobicContact CD2-CG1 4.23Å; L154-V212 HydrophobicContact CD2-CG2 4.45Å; T158-V212 HydrophobicContact CG2-CG1 4.16Å; V162-V212 HydrophobicContact CG1-CG1 4.03Å; I163-V212 HydrophobicContact CG1-CG1 4.1Å; Y166-V212 HydrophobicContact CD1-CG2 3.42Å; Y166-V212 VanDerWaalsContact CD1-CG2 3.42Å; Y166-V212 HydrophobicContact CD2-CG2 4.47Å; Y166-V212 HydrophobicContact CE1-CG2 3.74Å; Y166-V212 HydrophobicContact CG-CG2 3.82Å; F167-V212 HydrophobicContact CE2-CG2 4Å; F167-V212 HydrophobicContact CZ-CG2 4.38Å; V212-G214 PolarHBondContact O-N 2.8Å; V212-S215 PolarHBondContact N-O 2.97Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 VanDerWaalsContact O-N 3.1Å
213G70.2Confident80.8Confident44 Ų4472.2 Ų72.245%0.45437%0.369SS..THydrogen-bonded Turntrans5931.1-179.300000114.2S215G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.81Å
214G76.4Confident79.7Confident74 Ų7470.2 Ų70.276%0.76337%0.368SS*.THydrogen-bonded Turntrans76.74.2-178.500000115.2V212V212-G214 PolarHBondContact O-N 2.8Å
215S80.5Confident78.4Confident28 Ų2878.4 Ų78.420%0.19640%0.404CS..EExtended strand (participates in β ladder)trans-113.8142.5175.2-68.90000111.9N155 T211 V212 G213 C217N155-S215 WeakPolarHBondContact CB-OG 3.41Å; T211-S215 WeakPolarHBondContact CA-O 3.44Å; V212-S215 PolarHBondContact N-O 2.97Å; V212-S215 PolarHBondContact O-N 3.41Å; V212-S215 VanDerWaalsContact O-N 3.1Å; G213-S215 VanDerWaalsContact C-N 3.27Å; G213-S215 PolarHBondContact O-N 2.81Å; S215-C217 PolarHBondContact O-N 2.83Å
216K84.7Confident77.2Confident131 Ų13183.5 Ų83.557%0.5743%0.427SS*.EExtended strand (participates in β ladder)trans-79.9114.3176.3-176178.9178-177.80109.3Y209 H210Y209-K216 VanDerWaalsContact CB-CE 3.42Å; Y209-K216 HydrophobicContact CD1-CD 4.37Å; Y209-K216 HydrophobicContact CD1-CG 4.39Å; Y209-K216 HydrophobicContact CG-CD 4.48Å; H210-K216 CarbonylContact O-C 3.53Å; H210-K216 WeakPolarHBondContact O-CA 3.46Å
217C86.5Confident75.9Confident0 Ų078.8 Ų78.80%041%0.409CS..EExtended strand (participates in β ladder)trans-101.2146.3176.556.20000112.7V151 G152 L154 Y209 H210 S215V151-C217 HydrophobicContact CG1-CB 3.71Å; G152-C217 CarbonylContact O-C 3.56Å; G152-C217 WeakPolarHBondContact O-CA 3.33Å; G152-C217 VanDerWaalsContact O-CB 3.22Å; G152-C217 WeakPolarHBondContact O-CB 3.28Å; L154-C217 HydrophobicContact CD2-CB 3.76Å; L154-C217 HydrophobicContact CG-CB 3.98Å; Y209-C217 WeakPolarHBondContact CA-O 3.15Å; H210-C217 VanDerWaalsContact C-SG 3.55Å; H210-C217 WeakPolarHBondContact CB-SG 3.37Å; H210-C217 PolarHBondContact N-O 2.69Å; H210-C217 PolarHBondContact O-N 2.74Å; H210-C217 PolarHBondContact O-SG 3.1Å; S215-C217 PolarHBondContact O-N 2.83Å
218E84.7Confident74.9Confident72 Ų7279.8 Ų79.834%0.33641%0.411SS..EExtended strand (participates in β ladder)trans-106.8138.5176.5-175.9-171-161.600109.1V151 G152 Y209 K220V151-E218 CarbonylContact C-O 3.56Å; V151-E218 WeakPolarHBondContact CA-O 3.47Å; G152-E218 PolarHBondContact N-O 3.16Å; G152-E218 PolarHBondContact O-N 3.31Å; Y209-E218 HydrophobicContact CE1-CG 4.4Å; E218-K220 VanDerWaalsContact CD-CE 3.44Å; E218-K220 WeakPolarHBondContact OE1-CE 3.35Å; E218-K220 IonicContact OE1-NZ 2.61Å; E218-K220 PolarHBondContact OE1-NZ 3.31Å; E218-K220 IonicContact OE2-NZ 3.2Å; E218-K220 PolarHBondContact OE2-NZ 3.26Å
219I87.2Confident73.7Confident18 Ų1876.9 Ų76.99%0.09240%0.401CS..EExtended strand (participates in β ladder)trans-114.3130.7-178.1-52.1-172.8000110.4I149 F150 V151 F167 V204 M205 H210I149-I219 HydrophobicContact CB-CG2 4.18Å; I149-I219 HydrophobicContact CD1-CG2 4.05Å; F150-I219 CarbonylContact O-C 3.43Å; F150-I219 WeakPolarHBondContact O-CA 3.37Å; V151-I219 HydrophobicContact CG1-CG1 4.44Å; V151-I219 HydrophobicContact CG2-CD1 4.45Å; V151-I219 HydrophobicContact CG2-CG1 4.31Å; F167-I219 HydrophobicContact CE1-CD1 3.51Å; F167-I219 HydrophobicContact CZ-CD1 3.91Å; V204-I219 HydrophobicContact CG1-CD1 3.12Å; V204-I219 HydrophobicContact CG1-CG1 4.38Å; V204-I219 HydrophobicContact CG1-CG2 4.04Å; M205-I219 HydrophobicContact CE-CG2 4.49Å; M205-I219 HydrophobicContact CG-CG2 4.48Å; H210-I219 HydrophobicContact CB-CD1 4.49Å; H210-I219 WeakPolarHBondContact CD2-CD1 3.48Å; H210-I219 WeakPolarHBondContact NE2-CD1 3.19Å
220K84.7Confident72.4Confident101 Ų10178 Ų7844%0.43941%0.411SS..EExtended strand (participates in β ladder)trans-131.2154.3177.4-69.8176.4168.4140.30110.2F150 E218 A222F150-K220 HydrophobicContact CB-CB 4.41Å; F150-K220 HydrophobicContact CD1-CB 4.13Å; F150-K220 PolarHBondContact N-O 2.65Å; F150-K220 PolarHBondContact O-N 2.75Å; E218-K220 VanDerWaalsContact CD-CE 3.44Å; E218-K220 WeakPolarHBondContact OE1-CE 3.35Å; E218-K220 IonicContact OE1-NZ 2.61Å; E218-K220 PolarHBondContact OE1-NZ 3.31Å; E218-K220 IonicContact OE2-NZ 3.2Å; E218-K220 PolarHBondContact OE2-NZ 3.26Å; K220-A222 PolarHBondContact O-N 3.08Å
221I81.7Confident71.1Confident98 Ų9884.4 Ų84.450%0.50344%0.441SS..EExtended strand (participates in β ladder)trans-58123.4166.3-77.8173.4000107.5V146 M205 Q223V146-I221 HydrophobicContact CB-CG2 4.18Å; V146-I221 HydrophobicContact CG1-CG2 4.13Å; V146-I221 HydrophobicContact CG2-CB 3.93Å; V146-I221 HydrophobicContact CG2-CD1 4.28Å; V146-I221 HydrophobicContact CG2-CG1 3.79Å; V146-I221 HydrophobicContact CG2-CG2 3.26Å; M205-I221 HydrophobicContact CE-CB 4.06Å; M205-I221 HydrophobicContact CE-CD1 4.48Å; M205-I221 HydrophobicContact CE-CG1 3.29Å; M205-I221 HydrophobicContact SD-CD1 4.22Å; M205-I221 HydrophobicContact SD-CG1 3.6Å; M205-I221 VanDerWaalsContact SD-CG1 3.6Å; I221-Q223 PolarHBondContact O-N 2.83Å; I221-Q223 VanDerWaalsContact O-N 3.14Å
222A73.3Confident69.5Low7 Ų785.8 Ų85.86%0.05844%0.441CS..PPolyproline II helixtrans-69116.3174.700000108.1K148 F150 F192 K220K148-A222 HydrophobicContact CB-CB 3.89Å; K148-A222 HydrophobicContact CD-CB 4.34Å; K148-A222 HydrophobicContact CG-CB 3.69Å; K148-A222 WeakPolarHBondContact O-CB 3.28Å; K148-A222 PolarHBondContact O-N 3.41Å; K148-A222 VanDerWaalsContact O-N 3.13Å; F150-A222 HydrophobicContact CB-CB 4.42Å; F192-A222 HydrophobicContact CD1-CB 3.97Å; F192-A222 HydrophobicContact CE1-CB 4.18Å; K220-A222 PolarHBondContact O-N 3.08Å
223Q68.4Low67.9Low102 Ų10293.8 Ų93.848%0.47747%0.472SS..PPolyproline II helixtrans-78.8139.6169.4-66.1-174.4-6.800108.8I221 K225I221-Q223 PolarHBondContact O-N 2.83Å; I221-Q223 VanDerWaalsContact O-N 3.14Å; Q223-K225 PolarHBondContact O-N 3.49Å
224P62.7Low66.7Low80 Ų8094.8 Ų94.852%0.51948%0.482SS..PPolyproline II helixtrans-59.4141.717324.2-31.5000109.5E226 V227 Y228P224-E226 PolarHBondContact O-N 3.25Å; P224-V227 HydrophobicContact CG-CB 4.24Å; P224-V227 HydrophobicContact CG-CG2 3.76Å; P224-V227 PolarHBondContact O-N 2.98Å; P224-Y228 PolarHBondContact O-N 3.26Å
225K56.7Low65.3Low171 Ų17195.5 Ų95.574%0.74348%0.481SS*.Hα-helixtrans-52.4-30.8-175.6-172.4178.5177.3-176.70113Q223 Y228 M229Q223-K225 PolarHBondContact O-N 3.49Å; K225-Y228 PolarHBondContact O-N 2.96Å; K225-M229 PolarHBondContact O-N 3.41Å
226E55.4Low63.5Low163 Ų163105.5 Ų105.576%0.76252%0.515SS*.Hα-helixtrans-67-40.8179.4-165.5161.4-162.300113P224 M229 Q230P224-E226 PolarHBondContact O-N 3.25Å; E226-M229 PolarHBondContact O-N 3.3Å; E226-Q230 PolarHBondContact O-N 3.43Å
227V56.4Low61.8Low63 Ų63101.9 Ų101.938%0.38251%0.514SS..Hα-helixtrans-69.8-38.5176.3175.70000110.8P224 Q230 Q231P224-V227 HydrophobicContact CG-CB 4.24Å; P224-V227 HydrophobicContact CG-CG2 3.76Å; P224-V227 PolarHBondContact O-N 2.98Å; V227-Q230 PolarHBondContact O-N 3.21Å; V227-Q231 WeakPolarHBondContact O-CB 3.43Å; V227-Q231 PolarHBondContact O-N 3.4Å
228Y57Low59.8Low136 Ų136113.4 Ų113.453%0.53356%0.559SS.*Hα-helixtrans-66.5-40.7176.8-169.2-93.7000112.3P224 K225 Q231 Q232P224-Y228 PolarHBondContact O-N 3.26Å; K225-Y228 PolarHBondContact O-N 2.96Å; Y228-Q231 PolarHBondContact O-N 3.28Å; Y228-Q232 PolarHBondContact O-N 2.7Å; Y228-Q232 VanDerWaalsContact O-N 3.11Å
229M50.5Low57.5Low101 Ų101113.7 Ų113.750%0.49858%0.582SS.*Hα-helixtrans-64.1-41.8173.2-83.2-176.568.700111.7K225 E226 Q231 Q232 Y233K225-M229 PolarHBondContact O-N 3.41Å; E226-M229 PolarHBondContact O-N 3.3Å; M229-Q231 VanDerWaalsContact C-N 3.31Å; M229-Q231 PolarHBondContact O-N 3.15Å; M229-Q232 PolarHBondContact O-N 2.73Å; M229-Y233 WeakPolarHBondContact O-CB 3.35Å; M229-Y233 VanDerWaalsContact O-CD2 3.27Å; M229-Y233 WeakPolarHBondContact O-CD2 3.4Å; M229-Y233 PolarHBondContact O-N 3.38Å
230Q55.3Low55.3Low151 Ų151116.1 Ų116.171%0.70661%0.611SS**Hα-helixtrans-65.9-34.6179.5-164.4169.147.500112.6E226 V227 G234E226-Q230 PolarHBondContact O-N 3.43Å; V227-Q230 PolarHBondContact O-N 3.21Å; Q230-G234 WeakPolarHBondContact O-CA 3.37Å; Q230-G234 PolarHBondContact O-N 3.02Å
231Q56.9Low53.1Low137 Ų137123.8 Ų123.864%0.6464%0.637SS**Hα-helixtrans-76.1-32.9179.8-152.8162.664.200112.8V227 Y228 M229V227-Q231 WeakPolarHBondContact O-CB 3.43Å; V227-Q231 PolarHBondContact O-N 3.4Å; Y228-Q231 PolarHBondContact O-N 3.28Å; M229-Q231 VanDerWaalsContact C-N 3.31Å; M229-Q231 PolarHBondContact O-N 3.15Å
232Q49.6Very low50.9Low122 Ų122122.3 Ų122.357%0.5765%0.646SS**Hα-helixtrans-79.5-27.5176.4-160.6168.122.800113Y228 M229Y228-Q232 PolarHBondContact O-N 2.7Å; Y228-Q232 VanDerWaalsContact O-N 3.11Å; M229-Q232 PolarHBondContact O-N 2.73Å
233Y47.9Very low49.4Very low170 Ų170134.3 Ų134.367%0.66769%0.69SS**Hα-helixtrans-98.3-13.6178.7-75.5-91.2000114.4M229 A235M229-Y233 WeakPolarHBondContact O-CB 3.35Å; M229-Y233 VanDerWaalsContact O-CD2 3.27Å; M229-Y233 WeakPolarHBondContact O-CD2 3.4Å; M229-Y233 PolarHBondContact O-N 3.38Å; Y233-A235 VanDerWaalsContact C-N 3.3Å; Y233-A235 PolarHBondContact O-N 3.08Å
234G44.3Very low47.8Very low65 Ų65132.8 Ų132.867%0.6770%0.702SS**THydrogen-bonded Turntrans-73.2-16.2176.200000114.9Q230Q230-G234 WeakPolarHBondContact O-CA 3.37Å; Q230-G234 PolarHBondContact O-N 3.02Å
235A46.8Very low46.6Very low90 Ų90141 Ų14174%0.74472%0.722SS**THydrogen-bonded Turntrans-923-177.200000114.6Y233Y233-A235 VanDerWaalsContact C-N 3.3Å; Y233-A235 PolarHBondContact O-N 3.08Å
236R43.8Very low45.6Very low238 Ų238136.9 Ų136.990%0.89873%0.729SS**SBendtrans-12917.7-169.8-125.2-178.8-166.9162.24.2117.5
237G47Very low44.6Very low55 Ų55132.8 Ų132.857%0.56773%0.731SS**SBendtrans-16959.1-18000000116.7
238Y44.6Very low43.5Very low241 Ų241138.6 Ų138.695%0.94575%0.753SS**  trans-153.648150.2-107.4-79.8000110.4G240Y238-G240 PolarHBondContact O-N 2.96Å
239G37.3Very low42.5Very low78 Ų78135.6 Ų135.680%0.80476%0.764SS**  trans-77.594.816200000108.3R241G239-R241 PolarHBondContact O-N 3.47Å
240G40.2Very low42Very low69 Ų69139.4 Ų139.471%0.71178%0.781SS**  trans-49.7129.1177.300000111.6Y238 G242Y238-G240 PolarHBondContact O-N 2.96Å; G240-G242 PolarHBondContact O-N 2.89Å
241R39Very low40.8Very low262 Ų262138.8 Ų138.899%0.98978%0.783SS**  trans-68.271.8156.6-83.5-176-173.7171.82.6108.2G239G239-R241 PolarHBondContact O-N 3.47Å
242G36.5Very low39.4Very low67 Ų67143.8 Ų143.869%0.69180%0.796SS**  trans-76129159.500000108.6G240G240-G242 PolarHBondContact O-N 2.89Å
243R42.1Very low38.6Very low259 Ų259143.9 Ų143.998%0.97780%0.8SS**  trans-47.4140.7172.2-66.5172.9172.3-178.1-3.1112.7
244G34.8Very low38Very low70 Ų70144.6 Ų144.672%0.72281%0.809SS**  trans-174.486.5158.600000107.7
245R36.6Very low37.4Very low252 Ų252144.4 Ų144.495%0.95181%0.808SS**  47.5109.891.2-142.6-175.8-157.1-151.85.7111
246G35.1Very low36.6Very low86 Ų86151.9 Ų151.989%0.88782%0.818SS**  trans-50.5141.4-175.900000113.8
247G34.4Very low36.1Very low77 Ų77147.5 Ų147.579%0.79481%0.813SS**  trans-146.1110.4173.100000107.6
248Q34.3Very low35.4Very low184 Ų184152.2 Ų152.286%0.8683%0.825SS**  trans-51131.1-173.7-163.9160.44.700113.2
249G35.1Very low34.7Very low74 Ų74149.5 Ų149.576%0.76382%0.815SS**  trans-64.2133.9174.700000111.7
250Q39.4Very low34.2Very low180 Ų180154.2 Ų154.284%0.84181%0.808SS**  trans-134.7115.4157.7-68.4-171.513.200108.9
251N31.7Very low33.8Very low139 Ų139158.8 Ų158.874%0.74382%0.816SS**  trans-60.3126.3170.8177.14.4000110.4
252W27.3Very low33.3Very low241 Ų241153.5 Ų153.591%0.91380%0.803SS**  trans-148.6131.1141.5-93.799.4000111.2
253N31.8Very low33Very low125 Ų125153.6 Ų153.667%0.66880%0.804SS**  trans-84.1125.8-176.9176.5-3.5000111
254Q36.1Very low32.4Very low184 Ų184151.2 Ų151.286%0.8680%0.796SS**  trans-179.7126.6154.1-100.4146.368.900106.2
255G30.9Very low32.1Very low62 Ų62155.5 Ų155.564%0.63980%0.803SS**  cis155.2116.411.300000106.2
256Y30.6Very low31.9Very low246 Ų246151.4 Ų151.497%0.96579%0.794SS**  trans76117.3159.9-84-95.4000121.6
257N33.1Very low31.6Very low146 Ų146149.9 Ų149.978%0.78178%0.779SS**  trans-109.5161-173.6-137.9-41.7000110.1
258N33.1Very low31.4Very low155 Ų155156.9 Ų156.983%0.82978%0.783SS**  trans-38.1141.5172.7-75.2-33.6000116.3
259Y29.5Very low31.1Very low183 Ų183151.8 Ų151.872%0.71878%0.779SS**  trans-97.5135172.9-140.4-51.3000110.6
260W27.9Very low30.8Very low177 Ų177158.9 Ų158.967%0.6779%0.785SS**  trans98.285.2155.8-61.3108.9000118.1
261N30.9Very low30.4Very low165 Ų165153.5 Ų153.588%0.88278%0.777SS**  trans-133.4125.3130.4-159.7-90.1000109.7
262Q29.3Very low30.3Very low151 Ų151154.8 Ų154.871%0.70678%0.779SS**  trans-102129.3-170.9-177.9172.423.200108.6
263G28.4Very low30.4Very low69 Ų69150.3 Ų150.371%0.71177%0.768SS**  trans-171.382.1179.100000114.5
264Y30.1Very low30.2Very low210 Ų210147.2 Ų147.282%0.82477%0.766SS**  trans19.1115.4146.4-85-99.7000120
265N29.5Very low29.9Very low160 Ų160150 Ų15086%0.85677%0.77SS**  trans-146.6104148.3-160.1-51.1000110.2
266Q31.5Very low29.8Very low165 Ų165150.7 Ų150.777%0.77178%0.777SS**  trans-91.2137.1154.4-74.9171.812.200105.1
267G29.3Very low29.7Very low54 Ų54150 Ų15056%0.55778%0.775SS**  cis144.2166.626.800000106.8
268Y30.2Very low29.5Very low224 Ų224146.2 Ų146.288%0.87877%0.77SS**  trans91.396.2173.2-54.8-77.2000117.9
269G27.7Very low29.3Very low77 Ų77141.8 Ų141.879%0.79476%0.761SS**  trans-102136155.900000111.3
270Y29.8Very low29.3Very low224 Ų224142.7 Ų142.788%0.87877%0.765SS**  trans-126.7123.7153.9-91.7-99.3000102.8
271G29.7Very low29.3Very low66 Ų66138.1 Ų138.168%0.6877%0.773SS**  cis89.593.749.500000108.9
272Q29.8Very low29Very low166 Ų166137.1 Ų137.178%0.77677%0.767SS**  trans159.6141.3138-93.2-160.211200115.9
273Q30.1Very low28.9Very low147 Ų147139.2 Ų139.269%0.68777%0.77SS**  trans51.6134.9159.6-76.285.46500119.7
274G27.8Very low28.8Very low61 Ų61142.1 Ų142.163%0.62977%0.769SS**  cis118.2124.521.500000110.4
275Y29.9Very low28.6Very low242 Ų242142 Ų14295%0.94977%0.769SS**  trans91.1123.7164.8-58.1-80.7000120.5
276G28.5Very low28.5Very low76 Ų76138.5 Ų138.578%0.78476%0.757SS**  trans159.390.215700000115.6
277Y28.6Very low28.4Very low232 Ų232135.4 Ų135.491%0.9176%0.76SS**  trans-42.9144.5165-87.4-118.1000112.5
278G28.6Very low28.3Very low66 Ų66135.9 Ų135.968%0.6876%0.764SS**  118.313553.300000108.4
279G28.5Very low28.2Very low63 Ų63134.8 Ų134.865%0.64976%0.76SS**  trans15875.1173.800000119.9
280Y28.9Very low28.2Very low202 Ų202140.7 Ų140.779%0.79276%0.76SS**  trans-17.5135.7149-11.9-84.2000116.9
281G27.8Very low28.2Very low81 Ų81133.2 Ų133.284%0.83575%0.751SS**  80.5149.710500000112.3
282N26Very low28.1Very low143 Ų143141.6 Ų141.677%0.76576%0.764SS**  cis-170.2175.56.3-176.2-80.1000104.9
283Y27.1Very low28.1Very low195 Ų195137.3 Ų137.377%0.76576%0.764SS**  trans-34.2154.5176.6-71.4-116.2000117.5
284D25.8Very low28.1Very low130 Ų130134 Ų13470%0.69577%0.77SS**  176.6153.988.4-130.4-25.2000116.2
285Y25.4Very low28.1Very low207 Ų207133.4 Ų133.481%0.81276%0.764SS**  trans54.1150.7145.7-104.2-129.8000121.7
286S27.7Very low28.1Very low87 Ų87132.3 Ų132.361%0.60876%0.759SS**  cis171.7165.9-12.4172.10000106.6
287A30Very low28.2Very low101 Ų101135.3 Ų135.384%0.83576%0.757SS**  trans75.4137.4163.200000116.3
288G27.2Very low28.3Very low63 Ų63133.8 Ų133.865%0.64975%0.751SS**  cis154.5148.18.300000108.1
289Y26.8Very low28.4Very low202 Ų202136.3 Ų136.379%0.79275%0.749SS**  trans71.5119.9148.8-88.1-115.9000122.4
290Y29Very low28.7Very low200 Ų200143 Ų14378%0.78476%0.763SS**  trans54.2129136-71.9-110.7000121.9
291G28.3Very low28.8Very low67 Ų67136.5 Ų136.569%0.69176%0.758SS**  115.2113.6121.500000118.7
292Y28.5Very low28.9Very low242 Ų242140.2 Ų140.295%0.94976%0.759SS**  trans40.2120136.5-88.3-98.2000121.6
293G29.7Very low29.3Very low76 Ų76138.6 Ų138.678%0.78475%0.754SS**  90.2117.3113.300000119.9
294G29.6Very low29.5Very low78 Ų78133.8 Ų133.880%0.80475%0.749SS**  84.3115.4126.200000120.2
295G28Very low29.8Very low49 Ų49138.5 Ų138.551%0.50576%0.759SS.*  108.5119.6128.100000119.6
296Y29.3Very low30.3Very low219 Ų219132 Ų13286%0.85975%0.754SS**  trans37.4141.5130.127.2-101.5000119.9
297D31.5Very low30.6Very low138 Ų138137.5 Ų137.574%0.73877%0.767SS**  cis-178.1-179.57.9-159.4-60.5000107.4
298Y29.7Very low31.1Very low201 Ų201138.9 Ų138.979%0.78877%0.765SS**  trans83.5145.7162.3-91.1-105.1000120.2
299N32.4Very low32Very low119 Ų119141.4 Ų141.464%0.63677%0.77SS**  cis164.8132.1-34.8177.9-2.9000105.9
300Q34.2Very low32.8Very low202 Ų202143.5 Ų143.594%0.94478%0.777SS**  trans-167.4128.1152.6-109.7176.242.800105.8
301G31.6Very low33Very low66 Ų66145.7 Ų145.768%0.6878%0.784SS**  cis149.2125.32.600000107.4
302N30.3Very low33.3Very low159 Ų159145.7 Ų145.785%0.8578%0.784SS**  trans-173.9132.9133.4-130.7-14.5000116
303T34.1Very low33.6Very low110 Ų110138 Ų13868%0.67578%0.778SS**  trans65.296.6146.3-23.90000123.9
304S31.3Very low34.1Very low93 Ų93143.1 Ų143.165%0.6578%0.781SS**  33.5115.7120.2-169.40000121.8
305Y32.4Very low34.5Very low230 Ų230147.9 Ų147.990%0.90278%0.782SS**  -167.5118.7106.3-115-86.7000111.4
306G33.9Very low35Very low69 Ų69150.7 Ų150.771%0.71180%0.795SS**  trans76.1101.1134.500000122.3
307K35.1Very low35.2Very low203 Ų203145.9 Ų145.988%0.88379%0.793SS**  trans78.488.5140.7-63.7-171.4177.8-178.20120.9
308T39.5Very low35.5Very low130 Ų130149.3 Ų149.380%0.79880%0.797SS**  -5.8167.1125.849.10000120.8
309P47.2Very low36.2Very low116 Ų116148.8 Ų148.875%0.75380%0.799SS**  cis-138.5164.3-21.931.1-10.2000115.9
310R42.4Very low37.6Very low246 Ų246147.5 Ų147.593%0.92880%0.797SS**  trans-32.5143.3156.3-73174.9163.3170.4-5114.9
311R34.3Very low38.3Very low247 Ų247152.3 Ų152.393%0.93281%0.809SS**  trans-126.4105.2139.7-166.9171.6-173.9172.71.7109.2
312G35Very low38.6Very low67 Ų67156.7 Ų156.769%0.69182%0.815SS**  trans-69.5153160.100000110.1
313G35.2Very low39.1Very low80 Ų80156.5 Ų156.583%0.82581%0.813SS**  trans-16083.9173.100000108.7
314H39.4Very low39.4Very low184 Ų184159.1 Ų159.185%0.85282%0.821SS**  trans-70.9136.9159.4-68.1-88.9000108.2
315Q37.3Very low39.8Very low177 Ų177163 Ų16383%0.82783%0.831SS**  160.3135.3117.7-88.5180-51.200112.4
316S38.5Very low40.3Very low109 Ų109158.8 Ų158.876%0.76283%0.826SS**  trans48.5120.6139.4-57.40000119.8
317S34.7Very low40.7Very low118 Ų118164.8 Ų164.883%0.82583%0.834SS**  153132.693.2-166.50000110.4
318Y37.5Very low41.1Very low209 Ų209162.1 Ų162.182%0.8283%0.831SS**  trans-64.5141166-150.1-101.5000110.3
319K44.1Very low41.3Very low191 Ų191164.5 Ų164.583%0.8383%0.833SS**  174.3160.9122.6-96.7-169.8176.5-178.90113.1
320P62Low40.8Very low92 Ų92168.6 Ų168.660%0.59784%0.84SS**  trans-103.4173-147.642-36.7000113.2
321Y48.7Very low40.6Very low303 Ų303161.5 Ų161.5100%1.18883%0.832SS**  -162.50116.9-105.5-78.2000108.7

Retrieved 321 of 321 residues in 820.6 ms (Link to these results)