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Eukaryotic translation initiation factor 3 subunit B

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is involved in protein synthesis of a specialized repertoire of mRNAs and, together with other initiation factors, stimulates binding of mRNA and methionyl-tRNAi to the 40S ribosome. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation. RNA-binding component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087X6Z1, Species POEFO (Poecilia formosa, Amazon molly), Gene EIF3B, Length 680 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
1M39.1Very low38.7Very low233 Ų233149.3 Ų149.3100%1.14882%0.816SS**  0121.50-74.4177.7-167.500106.3
2Q35.8Very low39.1Very low182 Ų182151.5 Ų151.585%0.8582%0.817SS**  trans49.9100.1158.9-71.5165.2-29.500116.6
3D34Very low39.2Very low143 Ų143157.2 Ų157.277%0.76582%0.822SS**  47.1109.681.1-81.6-25.2000114.5
4T36.8Very low39.6Very low108 Ų108160.5 Ų160.566%0.66383%0.831SS**  92.4128122.856.30000121.5
5L39.7Very low39.8Very low164 Ų164161.2 Ų161.286%0.85983%0.829SS**  trans73.6139.2131.8-69.1162.3000116.4
6A37.9Very low40.3Very low75 Ų75163.5 Ų163.562%0.6284%0.835SS**  cis-173.4158.7600000106.6
7M33.8Very low40.6Very low184 Ų184164.4 Ų164.491%0.90684%0.835SS**  trans-168.998.1134.7-76.9-133.1177.200106.9
8V42.2Very low41.2Very low135 Ų135160.4 Ų160.482%0.81882%0.822SS**  87.7111.492.1171.80000111.5
9D39.7Very low41.9Very low159 Ų159157.6 Ų157.685%0.8582%0.818SS**  trans-68.6145.3169.8-73.4-46.4000112.3
10D39.2Very low42.4Very low157 Ų157159 Ų15984%0.8482%0.818SS**  trans-158.9157.3141.1-128.54.2000109.3
11P47.7Very low43.3Very low102 Ų102155.9 Ų155.966%0.66281%0.81SS**  trans-120.5-173-130.720.86.5000112.2
12E43.5Very low44.4Very low176 Ų176150.4 Ų150.482%0.82279%0.785SS**  trans7898.2170.1-61.6-177.3155.600116.6
13Y40.3Very low46Very low226 Ų226146.4 Ų146.489%0.88678%0.775SS**  -169.391.1120-95.2-76.6000107.1E15Y13-E15 PolarHBondContact O-N 3.38Å
14E44.3Very low47.2Very low203 Ų203149.3 Ų149.395%0.94978%0.784SS**  trans-80.399.1163.9-80.6-178.3164.500107.8
15E42.4Very low48Very low171 Ų171151.9 Ų151.980%0.79979%0.794SS**  trans-102.5123.1153.2-78.4-172.2162.100107.2Y13 E17Y13-E15 PolarHBondContact O-N 3.38Å; E15-E17 PolarHBondContact O-N 3.12Å; E15-E17 VanDerWaalsContact O-N 3.12Å
16E49Very low48.9Very low198 Ų198149.9 Ų149.993%0.92578%0.779SS**  trans-59.3111.1172-72.9179.4150.900109.2
17E45.7Very low50Low178 Ų178154.8 Ų154.883%0.83279%0.789SS**  trans-67.9133.6170.2-70.8-169165.200110E15E15-E17 PolarHBondContact O-N 3.12Å; E15-E17 VanDerWaalsContact O-N 3.12Å
18P49.8Very low50.9Low94 Ų94151.1 Ų151.161%0.6177%0.773SS**  trans-68.9142.1-179.726.8-31.9000111.6F20P18-F20 HydrophobicContact CG-CE2 4.14Å; P18-F20 HydrophobicContact CG-CZ 4.42Å; P18-F20 WeakPolarHBondContact O-CD2 3.48Å; P18-F20 WeakPolarHBondContact O-CE2 3.11Å; P18-F20 PolarHBondContact O-N 3.2Å
19S54.4Low51.6Low106 Ų106152.7 Ų152.774%0.74178%0.777SS**  trans-65.4109173.7178.30000111.2S21S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.14Å; S19-S21 VanDerWaalsContact O-N 3.14Å
20F52.2Low52.4Low186 Ų186148.9 Ų148.982%0.81676%0.756SS**  trans-83.453.2175.3-72.1-91.4000112.4P18P18-F20 HydrophobicContact CG-CE2 4.14Å; P18-F20 HydrophobicContact CG-CZ 4.42Å; P18-F20 WeakPolarHBondContact O-CD2 3.48Å; P18-F20 WeakPolarHBondContact O-CE2 3.11Å; P18-F20 PolarHBondContact O-N 3.2Å
21S61.3Low53.2Low93 Ų93148.7 Ų148.765%0.6575%0.749SS**  trans-115.2118.2176.4-47.30000108.9S19S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.14Å; S19-S21 VanDerWaalsContact O-N 3.14Å
22D63Low53.6Low118 Ų118150.3 Ų150.363%0.63175%0.753SS**  trans-67147-178.2-61.4-46.1000111.4F26D22-F26 HydrophobicContact CB-CB 4.28Å; D22-F26 HydrophobicContact CB-CD1 4.4Å; D22-F26 HydrophobicContact CB-CG 4.38Å
23P69.9Low54.1Low98 Ų98149 Ų14964%0.63675%0.747SS**  trans-65.7152.1179.6-17.631.6000112.5D25 F26P23-D25 PolarHBondContact O-N 3.05Å; P23-F26 WeakPolarHBondContact O-CB 3.47Å; P23-F26 PolarHBondContact O-N 2.88Å
24E58Low55Low205 Ų205145.1 Ų145.196%0.95874%0.736SS**THydrogen-bonded Turntrans-58.5-10-175.7-70.4-172.415600116
25D54.4Low55.6Low162 Ų162141.1 Ų141.187%0.86672%0.721SS**THydrogen-bonded Turntrans-111.520.2178.9-73.5-34.6000113.2P23 E27P23-D25 PolarHBondContact O-N 3.05Å; D25-E27 PolarHBondContact O-N 3.48Å
26F58.9Low56Low121 Ų121136.8 Ų136.853%0.53170%0.703SS.*  trans-81.3112.9175.4-166.5-105.2000110.7D22 P23 D28D22-F26 HydrophobicContact CB-CB 4.28Å; D22-F26 HydrophobicContact CB-CD1 4.4Å; D22-F26 HydrophobicContact CB-CG 4.38Å; P23-F26 WeakPolarHBondContact O-CB 3.47Å; P23-F26 PolarHBondContact O-N 2.88Å; F26-D28 WeakPolarHBondContact CE1-OD1 3.33Å
27E59.4Low56.3Low179 Ų179132.8 Ų132.884%0.83668%0.684SS**  trans-89.8116.3168-73.9-175.7159.500108.6D25 D29D25-E27 PolarHBondContact O-N 3.48Å; E27-D29 PolarHBondContact O-N 3.43Å
28D54.4Low56.8Low106 Ų106130.2 Ų130.257%0.56768%0.676SS**  trans-68121174.9-91.9-49000110.6F26 I30F26-D28 WeakPolarHBondContact CE1-OD1 3.33Å; D28-I30 PolarHBondContact O-N 3.21Å
29D55.1Low56.9Low168 Ų168131.2 Ų131.290%0.89868%0.675SS**SBendtrans-77.810.4175.3-80.8-33.2000113E27E27-D29 PolarHBondContact O-N 3.43Å
30I56.8Low56.5Low80 Ų80130 Ų13041%0.4166%0.66SS.*SBendtrans-119.3119.3-174.6-52.3176.8000107.8D28 E34 L35D28-I30 PolarHBondContact O-N 3.21Å; I30-E34 HydrophobicContact CG2-CB 3.7Å; I30-E34 WeakPolarHBondContact CG2-OE2 3.43Å; I30-L35 HydrophobicContact CG2-CD1 4.41Å
31E55.9Low56.7Low152 Ų152130.1 Ų130.171%0.7166%0.655SS**  trans-61.9139.3178.2-67.6-175.9162.200110E33 E34E31-E33 PolarHBondContact O-N 2.78Å; E31-E34 PolarHBondContact O-N 2.88Å
32D55.9Low56Low136 Ų136133.7 Ų133.773%0.72766%0.662SS**THydrogen-bonded Turntrans-48.6-19.5180-71.2-30.9000114.1
33E55.3Low55Low149 Ų149135 Ų13570%0.69666%0.662SS**THydrogen-bonded Turntrans-73.7-26.2179.3-144.6149-153.600113.3E31E31-E33 PolarHBondContact O-N 2.78Å
34E58.9Low53.6Low144 Ų144135.8 Ų135.867%0.67367%0.667SS**THydrogen-bonded Turntrans-85.3-25.3176.5-133.2175.5-170.500112.1I30 E31I30-E34 HydrophobicContact CG2-CB 3.7Å; I30-E34 WeakPolarHBondContact CG2-OE2 3.43Å; E31-E34 PolarHBondContact O-N 2.88Å
35L55.6Low52.9Low120 Ų120133.1 Ų133.163%0.62865%0.654SS**THydrogen-bonded Turntrans-80.1-15.2-179.7-122.6119.3000113.7I30I30-L35 HydrophobicContact CG2-CD1 4.41Å
36L52.9Low52.5Low79 Ų79135 Ų13541%0.41466%0.658SS.*THydrogen-bonded Turntrans-112.420.3-174.1-84.5162.9000113.8D38 I39 L40L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 3.27Å; L36-I39 HydrophobicContact CD2-CB 3.95Å; L36-I39 HydrophobicContact CD2-CD1 3.89Å; L36-I39 HydrophobicContact CD2-CG1 4.33Å; L36-I39 HydrophobicContact CD2-CG2 4.35Å; L36-I39 PolarHBondContact O-N 3.24Å; L36-L40 HydrophobicContact CB-CD1 3.97Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 PolarHBondContact O-N 3.26Å
37E54.7Low51.9Low114 Ų114131.5 Ų131.553%0.53365%0.651SS.*Hα-helixtrans-58.1-38.2-175.1-129.2-166.4165.200113.3R41E37-R41 PolarHBondContact O-N 2.93Å
38D55.3Low51.4Low125 Ų125129.4 Ų129.467%0.66865%0.646SS**Hα-helixtrans-75.8-31.2-178.4-73.4-28.3000113.1L36L36-D38 VanDerWaalsContact C-N 3.3Å; L36-D38 PolarHBondContact O-N 3.27Å
39I51.3Low51.5Low114 Ų114126 Ų12659%0.58564%0.635SS**Hα-helixtrans-85.7-28178.9-62.2179.5000111.2L36 E42 K43L36-I39 HydrophobicContact CD2-CB 3.95Å; L36-I39 HydrophobicContact CD2-CD1 3.89Å; L36-I39 HydrophobicContact CD2-CG1 4.33Å; L36-I39 HydrophobicContact CD2-CG2 4.35Å; L36-I39 PolarHBondContact O-N 3.24Å; I39-E42 PolarHBondContact O-N 3.42Å; I39-K43 PolarHBondContact O-N 3.38Å
40L47.5Very low52.1Low82 Ų82120.1 Ų120.143%0.42960%0.603SS.*Hα-helixtrans-72-28172.6-90.3151.5000113L36 E42 K43L36-L40 HydrophobicContact CB-CD1 3.97Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 PolarHBondContact O-N 3.26Å; L40-E42 VanDerWaalsContact C-N 3.33Å; L40-K43 HydrophobicContact CD2-CD 4.45Å
41R55Low52.8Low187 Ų187120.3 Ų120.371%0.70661%0.605SS**Hα-helixtrans-70.1-26.5170.5-80.7-178.8-179.4166.48.7113.7E37E37-R41 PolarHBondContact O-N 2.93Å
42E48Very low54Low169 Ų169113.7 Ų113.779%0.7958%0.576SS**SBendtrans-89.5-4.7177.9-73.6-163.8156.700114.1I39 L40I39-E42 PolarHBondContact O-N 3.42Å; L40-E42 VanDerWaalsContact C-N 3.33Å
43K42Very low55.4Low145 Ų145108.5 Ų108.563%0.6355%0.549SS*.SBendtrans-66.4126.8166.1-92.8-179.2179.5170.60108.7I39 L40 Q45I39-K43 PolarHBondContact O-N 3.38Å; L40-K43 HydrophobicContact CD2-CD 4.45Å; K43-Q45 PolarHBondContact O-N 3.38Å; K43-Q45 VanDerWaalsContact O-N 3.09Å
44P40.3Very low56.9Low114 Ų114101.4 Ų101.474%0.7452%0.516SS*.PPolyproline II helixtrans-57.7121.417023.7-30.8000108.1E46P44-E46 PolarHBondContact O-N 3.09Å
45Q43Very low58.3Low149 Ų14995.9 Ų95.970%0.69649%0.492SS*.PPolyproline II helixtrans-58.7131.8169.6-86.7178.8-26.800107.9K43 A47 D48K43-Q45 PolarHBondContact O-N 3.38Å; K43-Q45 VanDerWaalsContact O-N 3.09Å; Q45-A47 HydrophobicContact CB-CB 4.34Å; Q45-A47 PolarHBondContact O-N 3.02Å; Q45-D48 PolarHBondContact O-N 2.86Å
46E45.2Very low59.8Low203 Ų20390.2 Ų90.295%0.94946%0.462SS*.THydrogen-bonded Turntrans-58.8-3.8172-80.3-175.4150.400113.2P44P44-E46 PolarHBondContact O-N 3.09Å
47A47.9Very low61.3Low46 Ų4690 Ų9038%0.3846%0.461SS..THydrogen-bonded Turntrans-83.7-17.8179.800000114.7Q45 G49 I50Q45-A47 HydrophobicContact CB-CB 4.34Å; Q45-A47 PolarHBondContact O-N 3.02Å; A47-G49 PolarHBondContact O-N 3.33Å; A47-I50 VanDerWaalsContact O-CG1 3.25Å; A47-I50 WeakPolarHBondContact O-CG1 3.24Å; A47-I50 PolarHBondContact O-N 3.28Å
48D48.3Very low62.7Low136 Ų13687.7 Ų87.773%0.72745%0.452SS*.THydrogen-bonded Turntrans-70.3-3.8-176-82.9-20.2000114.5Q45Q45-D48 PolarHBondContact O-N 2.86Å
49G56.6Low64.1Low33 Ų3381.9 Ų81.934%0.3442%0.422SS..THydrogen-bonded Turntrans-92.6-14.417600000115.4A47 D51 S52A47-G49 PolarHBondContact O-N 3.33Å; G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.31Å; G49-S52 PolarHBondContact O-N 3.38Å
50I67.3Low65.7Low45 Ų4577.4 Ų77.423%0.23140%0.4CS..G310 helixtrans-71.2-25.3-169.367.2-176.7000113.7A47 S52 V53 F133 T134A47-I50 VanDerWaalsContact O-CG1 3.25Å; A47-I50 WeakPolarHBondContact O-CG1 3.24Å; A47-I50 PolarHBondContact O-N 3.28Å; I50-S52 PolarHBondContact O-N 2.8Å; I50-V53 PolarHBondContact O-N 2.59Å; I50-F133 HydrophobicContact CB-CD1 3.98Å; I50-F133 HydrophobicContact CG2-CD1 4.05Å; I50-F133 HydrophobicContact CG2-CE1 4.24Å; I50-T134 HydrophobicContact CB-CG2 4.34Å; I50-T134 HydrophobicContact CD1-CG2 3.75Å; I50-T134 HydrophobicContact CG1-CG2 3.57Å
51D72.3Confident67.5Low84 Ų8479.5 Ų79.545%0.44941%0.407SS..G310 helixtrans-69.1-18.7-179.9-69.84000112.8G49 P107 T134G49-D51 VanDerWaalsContact C-N 3.31Å; G49-D51 PolarHBondContact O-N 3.31Å; D51-P107 HydrophobicContact CB-CB 4.13Å; D51-P107 HydrophobicContact CB-CG 4.25Å; D51-T134 WeakPolarHBondContact OD1-CG2 3.29Å
52S81.3Confident68.9Low14 Ų1471.6 Ų71.610%0.09838%0.38CS..G310 helixtrans-96.8-2.8179.1-57.90000113G49 I50 Y104 P107G49-S52 PolarHBondContact O-N 3.38Å; I50-S52 PolarHBondContact O-N 2.8Å; S52-Y104 WeakPolarHBondContact CB-O 3.3Å; S52-Y104 PolarHBondContact O-N 2.96Å; S52-P107 WeakPolarHBondContact OG-CD 3.19Å; S52-P107 WeakPolarHBondContact OG-CG 3.41Å
53V84.9Confident70.6Confident27 Ų2764.7 Ų64.716%0.16435%0.354CS..EExtended strand (participates in β ladder)trans-97.2125.1-177.9-177.70000110.7I50 F101 E103 F133I50-V53 PolarHBondContact O-N 2.59Å; V53-F101 HydrophobicContact CG1-CB 4.26Å; V53-F101 HydrophobicContact CG1-CD1 4.14Å; V53-E103 HydrophobicContact CG2-CB 4.41Å; V53-E103 HydrophobicContact CG2-CG 4.14Å; V53-F133 HydrophobicContact CB-CB 3.97Å; V53-F133 HydrophobicContact CG1-CB 4.08Å; V53-F133 HydrophobicContact CG1-CD2 4.44Å; V53-F133 HydrophobicContact CG1-CG 4.45Å; V53-F133 PolarHBondContact O-N 3.03Å
54V86.9Confident72.3Confident0 Ų062.5 Ų62.50%035%0.354CS..EExtended strand (participates in β ladder)trans-108.3131.9176.2179.40000109.6V56 F101 L102 Y104 A110 V114 V130 L132V54-V56 HydrophobicContact CG1-CG2 4.22Å; V54-F101 WeakPolarHBondContact O-CA 3.47Å; V54-L102 PolarHBondContact N-O 3.12Å; V54-L102 PolarHBondContact O-N 2.91Å; V54-Y104 HydrophobicContact CB-CE2 4.37Å; V54-Y104 HydrophobicContact CG2-CD2 3.96Å; V54-Y104 HydrophobicContact CG2-CE2 3.82Å; V54-A110 HydrophobicContact CG2-CB 3.49Å; V54-A110 VanDerWaalsContact CG2-CB 3.49Å; V54-V114 HydrophobicContact CG1-CG2 3.93Å; V54-V114 HydrophobicContact CG2-CG2 4.16Å; V54-V130 HydrophobicContact CG1-CG1 3.14Å; V54-L132 HydrophobicContact CG2-CD2 4.37Å
55V88.1Confident74.1Confident28 Ų2865.9 Ų65.917%0.1736%0.36CS..EExtended strand (participates in β ladder)trans-97.5119.6172.5-171.40000108.6F101 V130 N131 F133V55-F101 HydrophobicContact CG1-CE1 4.22Å; V55-F101 HydrophobicContact CG2-CD1 3.77Å; V55-F101 HydrophobicContact CG2-CE1 3.66Å; V55-V130 WeakPolarHBondContact O-CA 3.4Å; V55-N131 PolarHBondContact N-O 3.11Å; V55-N131 PolarHBondContact O-N 2.76Å; V55-F133 HydrophobicContact CG2-CB 4.33Å; V55-F133 HydrophobicContact CG2-CD2 3.97Å
56V87Confident75.9Confident0 Ų067 Ų670%036%0.358CS..EExtended strand (participates in β ladder)trans-107.7114.7174-177.20000108.2V54 V59 F78 Y99 I100 L102 F128 R129 V130V54-V56 HydrophobicContact CG1-CG2 4.22Å; V56-V59 HydrophobicContact CB-CG2 4.35Å; V56-V59 HydrophobicContact CG1-CG2 3.8Å; V56-F78 HydrophobicContact CB-CZ 4.3Å; V56-F78 HydrophobicContact CG1-CE2 4.28Å; V56-F78 HydrophobicContact CG1-CZ 3.88Å; V56-F78 HydrophobicContact CG2-CE1 3.78Å; V56-F78 HydrophobicContact CG2-CE2 4.08Å; V56-F78 HydrophobicContact CG2-CZ 3.43Å; V56-F78 VanDerWaalsContact CG2-CZ 3.43Å; V56-Y99 CarbonylContact O-C 3.5Å; V56-Y99 WeakPolarHBondContact O-CA 3.08Å; V56-I100 HydrophobicContact CB-CD1 4.13Å; V56-I100 HydrophobicContact CB-CG1 3.65Å; V56-I100 HydrophobicContact CG1-CG1 4.43Å; V56-I100 HydrophobicContact CG2-CD1 4.44Å; V56-I100 HydrophobicContact CG2-CG1 4.22Å; V56-I100 PolarHBondContact N-O 3.05Å; V56-I100 PolarHBondContact O-N 3.32Å; V56-L102 HydrophobicContact CG2-CD1 4.05Å; V56-F128 HydrophobicContact CG1-CB 4.01Å; V56-F128 HydrophobicContact CG1-CD1 4.04Å; V56-F128 HydrophobicContact CG1-CG 3.96Å; V56-R129 CarbonylContact C-O 3.55Å; V56-R129 WeakPolarHBondContact CA-O 3.45Å; V56-V130 HydrophobicContact CG1-CG2 4.2Å; V56-V130 HydrophobicContact CG2-CG1 4.16Å; V56-V130 HydrophobicContact CG2-CG2 4.2Å
57D84Confident77.6Confident74 Ų7458.6 Ų58.640%0.39632%0.32SS..EExtended strand (participates in β ladder)trans-99.5161.4179.9-171.724.9000111.5F128 R129D57-F128 WeakPolarHBondContact O-CA 3.41Å; D57-R129 HydrophobicContact CB-CB 4.27Å; D57-R129 PolarHBondContact N-O 3.3Å; D57-R129 PolarHBondContact O-N 3.19Å; D57-R129 VanDerWaalsContact O-N 3.11Å
58N85Confident79.3Confident66 Ų6663.5 Ų63.535%0.35334%0.335SS..SBendtrans61.638.1-177.4-162.528.9000114.5G98 T127N58-G98 PolarHBondContact N-O 3.11Å; N58-T127 WeakPolarHBondContact CB-O 3.44Å; N58-T127 PolarHBondContact ND2-N 3.19Å; N58-T127 PolarHBondContact ND2-O 3.16Å
59V85.2Confident81Confident4 Ų464.5 Ų64.52%0.02433%0.333CS..  trans-78.5144.4171.5-173.40000109.8V56 Q61 L70 I74 G98 I100 F128V56-V59 HydrophobicContact CB-CG2 4.35Å; V56-V59 HydrophobicContact CG1-CG2 3.8Å; V59-Q61 PolarHBondContact O-N 3.03Å; V59-L70 HydrophobicContact CG1-CD1 3.88Å; V59-L70 HydrophobicContact CG1-CD2 3.87Å; V59-L70 HydrophobicContact CG1-CG 4.31Å; V59-I74 HydrophobicContact CG1-CD1 4.26Å; V59-G98 PolarHBondContact N-O 3.28Å; V59-G98 VanDerWaalsContact O-CA 3.24Å; V59-G98 WeakPolarHBondContact O-CA 3.34Å; V59-I100 HydrophobicContact CB-CG2 4.42Å; V59-I100 HydrophobicContact CG1-CG2 4.26Å; V59-I100 HydrophobicContact CG2-CD1 4.21Å; V59-I100 HydrophobicContact CG2-CG1 4.03Å; V59-I100 HydrophobicContact CG2-CG2 4.2Å; V59-F128 HydrophobicContact CB-CE1 4.47Å; V59-F128 HydrophobicContact CG2-CD1 4.24Å; V59-F128 HydrophobicContact CG2-CE1 4.1Å
60P83.9Confident82.3Confident19 Ų1963.5 Ų63.512%0.12332%0.32CS..  trans-55.5131.8178.6-26.233.1000113.4V62 L70 T96 L122 H126P60-V62 HydrophobicContact CB-CG1 4.37Å; P60-V62 PolarHBondContact O-N 2.66Å; P60-L70 HydrophobicContact CB-CD1 4.48Å; P60-L70 HydrophobicContact CG-CD1 4.24Å; P60-T96 PolarHBondContact O-OG1 3.03Å; P60-L122 HydrophobicContact CG-CD2 3.49Å; P60-L122 VanDerWaalsContact CG-CD2 3.49Å; P60-H126 HydrophobicContact CG-CB 4.35Å
61Q85.3Confident83.2Confident126 Ų12664.3 Ų64.359%0.58932%0.321SS*.  trans-78.1115.4174.5-60.8-179.1-4.700109.9V59 T96V59-Q61 PolarHBondContact O-N 3.03Å; Q61-T96 WeakPolarHBondContact CA-OG1 3.36Å; Q61-T96 WeakPolarHBondContact CG-O 3.45Å
62V83.6Confident83.9Confident22 Ų2265.5 Ų65.513%0.13333%0.327CS..  trans-130.4148.5-175.9-63.90000111.5P60 R66 L70 M95 T96P60-V62 HydrophobicContact CB-CG1 4.37Å; P60-V62 PolarHBondContact O-N 2.66Å; V62-R66 HydrophobicContact CB-CB 4.03Å; V62-R66 HydrophobicContact CG1-CB 4.26Å; V62-L70 HydrophobicContact CG2-CB 4.2Å; V62-L70 HydrophobicContact CG2-CD2 3.65Å; V62-M95 WeakPolarHBondContact O-CA 3.39Å; V62-T96 HydrophobicContact CG2-CG2 4.07Å; V62-T96 PolarHBondContact N-OG1 3.38Å; V62-T96 PolarHBondContact O-N 2.87Å; V62-T96 VanDerWaalsContact O-N 3.08Å
63G83.6Confident84.1Confident23 Ų2367.8 Ų67.824%0.23734%0.341CS..  trans-82.5174168.500000112.8E65 R66 L67G63-E65 VanDerWaalsContact C-N 3.29Å; G63-E65 PolarHBondContact O-N 3.08Å; G63-E65 VanDerWaalsContact O-N 3.14Å; G63-R66 PolarHBondContact O-N 2.89Å; G63-L67 PolarHBondContact O-N 3.42Å
64P77.9Confident84.2Confident99 Ų9966.5 Ų66.564%0.64333%0.333SS*.Hα-helixtrans-57.2-33.6-170.218.6-33.1000114.5R66 L67 G94P64-R66 PolarHBondContact O-N 3.24Å; P64-L67 PolarHBondContact O-N 3.44Å; P64-G94 VanDerWaalsContact CD-O 3.28Å; P64-G94 WeakPolarHBondContact CD-O 3.4Å
65E78Confident84.2Confident185 Ų18570.7 Ų70.786%0.86435%0.353SS*.Hα-helixtrans-65.8-21.6178.4-62.5-173.2165.500114.3G63G63-E65 VanDerWaalsContact C-N 3.29Å; G63-E65 PolarHBondContact O-N 3.08Å; G63-E65 VanDerWaalsContact O-N 3.14Å
66R81.4Confident84.1Confident173 Ų17377.2 Ų77.265%0.65338%0.378SS*.Hα-helixtrans-113.3-6.5-177-68.1-176-177.8-170.61.6113.2V62 G63 P64 E68 K69 L70V62-R66 HydrophobicContact CB-CB 4.03Å; V62-R66 HydrophobicContact CG1-CB 4.26Å; G63-R66 PolarHBondContact O-N 2.89Å; P64-R66 PolarHBondContact O-N 3.24Å; R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.8Å; R66-K69 PolarHBondContact O-N 3.34Å; R66-L70 PolarHBondContact O-N 3.38Å; R66-L70 VanDerWaalsContact O-N 3.12Å
67L80.6Confident84.1Confident27 Ų2778 Ų7814%0.14138%0.383CS..Hα-helixtrans-56.8-44.5179.4-168.6107.8000111.8G63 P64 K69 L70 K71 E91 T96G63-L67 PolarHBondContact O-N 3.42Å; P64-L67 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L67-K71 HydrophobicContact CD2-CD 4.19Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 3.29Å; L67-E91 WeakPolarHBondContact CD1-OE1 3.39Å; L67-T96 HydrophobicContact CD1-CG2 3.42Å; L67-T96 VanDerWaalsContact CD1-CG2 3.42Å
68E84.4Confident84.2Confident148 Ų14874.5 Ų74.569%0.69236%0.364SS*.Hα-helixtrans-68.5-29.2-177.1-161.6160.4-164.100113R66 N72R66-E68 VanDerWaalsContact C-N 3.31Å; R66-E68 PolarHBondContact O-N 2.8Å; E68-N72 PolarHBondContact O-N 3.47Å; E68-N72 PolarHBondContact O-ND2 3.3Å
69K84.8Confident84.2Confident158 Ų15873.6 Ų73.669%0.68736%0.363SS*.Hα-helixtrans-71.4-40.8170.9-72.4-178.7-179.8173.30111.6R66 L67 N72 V73R66-K69 PolarHBondContact O-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; K69-N72 PolarHBondContact O-N 3.26Å; K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.17Å
70L83.7Confident84.2Confident12 Ų1281 Ų816%0.06340%0.395CS..Hα-helixtrans-62.5-45.5176.4178.368.2000110.7V59 P60 V62 R66 L67 N72 V73 I74 Y89V59-L70 HydrophobicContact CG1-CD1 3.88Å; V59-L70 HydrophobicContact CG1-CD2 3.87Å; V59-L70 HydrophobicContact CG1-CG 4.31Å; P60-L70 HydrophobicContact CB-CD1 4.48Å; P60-L70 HydrophobicContact CG-CD1 4.24Å; V62-L70 HydrophobicContact CG2-CB 4.2Å; V62-L70 HydrophobicContact CG2-CD2 3.65Å; R66-L70 PolarHBondContact O-N 3.38Å; R66-L70 VanDerWaalsContact O-N 3.12Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 PolarHBondContact O-N 3.3Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L70-N72 PolarHBondContact O-N 3.27Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-V73 VanDerWaalsContact O-N 3.12Å; L70-I74 HydrophobicContact CD1-CG1 4.17Å; L70-I74 HydrophobicContact CG-CG1 4.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 3.22Å; L70-Y89 HydrophobicContact CD2-CD1 4.44Å; L70-Y89 HydrophobicContact CD2-CE1 4.19Å; L70-Y89 HydrophobicContact CG-CE1 4.41Å
71K85.5Confident84.2Confident62 Ų6282 Ų8227%0.2740%0.397SS..Hα-helixtrans-53.5-50.3174.9-75.8-176.4165.8-149.10112.6L67 V73 I74 H75 E87 Y89L67-K71 HydrophobicContact CD2-CD 4.19Å; L67-K71 WeakPolarHBondContact O-CG 3.46Å; L67-K71 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 2.9Å; K71-I74 PolarHBondContact O-N 3.11Å; K71-H75 VanDerWaalsContact O-CB 3.24Å; K71-H75 WeakPolarHBondContact O-CB 3.25Å; K71-H75 PolarHBondContact O-N 3.23Å; K71-E87 WeakPolarHBondContact CD-OE1 3.35Å; K71-E87 WeakPolarHBondContact CE-OE1 3.46Å; K71-E87 IonicContact NZ-OE1 3.82Å; K71-E87 PolarHBondContact NZ-OE1 3.09Å; K71-Y89 HydrophobicContact CD-CE2 4.23Å; K71-Y89 HydrophobicContact CG-CD2 4.26Å; K71-Y89 HydrophobicContact CG-CE1 4.29Å; K71-Y89 HydrophobicContact CG-CE2 3.64Å
72N86.6Confident84.1Confident108 Ų10876.7 Ų76.758%0.57838%0.376SS*.Hα-helixtrans-59.7-37.6177.8-81.4-56.7000113.3E68 K69 L70 K76E68-N72 PolarHBondContact O-N 3.47Å; E68-N72 PolarHBondContact O-ND2 3.3Å; K69-N72 PolarHBondContact O-N 3.26Å; L70-N72 PolarHBondContact O-N 3.27Å; N72-K76 WeakPolarHBondContact O-CB 3.28Å; N72-K76 PolarHBondContact O-N 3.09Å
73V86.4Confident84.1Confident63 Ų6383.4 Ų83.438%0.38240%0.403SS..Hα-helixtrans-69.7-47.7178.2170.40000111.2K69 L70 K71 K76 I77 L122K69-V73 WeakPolarHBondContact O-CG2 3.33Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.17Å; L70-V73 PolarHBondContact O-N 3.2Å; L70-V73 VanDerWaalsContact O-N 3.12Å; K71-V73 VanDerWaalsContact C-N 3.29Å; K71-V73 PolarHBondContact O-N 2.9Å; V73-K76 PolarHBondContact O-N 3.18Å; V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 WeakPolarHBondContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.02Å; V73-I77 PolarHBondContact O-N 3.46Å; V73-I77 VanDerWaalsContact O-N 3.11Å; V73-L122 HydrophobicContact CG1-CD1 3.74Å
74I86.5Confident84.1Confident0 Ų083.3 Ų83.30%040%0.397CS..Hα-helixtrans-60.4-49.3176.2-66.4-61.7000110.1V59 L70 K71 K76 I77 F78 Y89 I100 L102 F128V59-I74 HydrophobicContact CG1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.17Å; L70-I74 HydrophobicContact CG-CG1 4.29Å; L70-I74 WeakPolarHBondContact O-CG1 3.44Å; L70-I74 PolarHBondContact O-N 3.22Å; K71-I74 PolarHBondContact O-N 3.11Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.31Å; I74-I77 PolarHBondContact O-N 3.08Å; I74-F78 HydrophobicContact CD1-CE2 4.27Å; I74-F78 HydrophobicContact CG2-CD2 3.74Å; I74-F78 HydrophobicContact CG2-CE2 4.28Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 2.83Å; I74-Y89 WeakPolarHBondContact CB-OH 3.4Å; I74-Y89 WeakPolarHBondContact CG2-OH 3.4Å; I74-I100 HydrophobicContact CB-CD1 4.38Å; I74-I100 HydrophobicContact CD1-CD1 3.97Å; I74-I100 HydrophobicContact CG1-CD1 4Å; I74-I100 HydrophobicContact CG2-CD1 3.51Å; I74-L102 HydrophobicContact CG2-CD1 4.08Å; I74-L102 HydrophobicContact CG2-CD2 4.15Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CE2 4.15Å; I74-F128 HydrophobicContact CD1-CZ 3.58Å
75H87.1Confident84.4Confident88 Ų8882.6 Ų82.641%0.40739%0.391SS..Hα-helixtrans-56.5-43.3178.1-169.1-81.7000111.2K71 I77 S79K71-H75 VanDerWaalsContact O-CB 3.24Å; K71-H75 WeakPolarHBondContact O-CB 3.25Å; K71-H75 PolarHBondContact O-N 3.23Å; H75-I77 VanDerWaalsContact C-N 3.32Å; H75-I77 PolarHBondContact O-N 2.96Å; H75-S79 PolarHBondContact CE1-OG 2.9Å; H75-S79 PolarHBondContact ND1-OG 3.08Å; H75-S79 VanDerWaalsContact ND1-OG 3.08Å; H75-S79 WeakPolarHBondContact O-CB 3.36Å; H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 PolarHBondContact O-OG 2.96Å
76K86.4Confident84.6Confident164 Ų16477 Ų7771%0.71337%0.369SS*.Hα-helixtrans-65.4-31.6177.5-172.1174.4-176.3176.60113.9N72 V73 I74N72-K76 WeakPolarHBondContact O-CB 3.28Å; N72-K76 PolarHBondContact O-N 3.09Å; V73-K76 PolarHBondContact O-N 3.18Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.31Å
77I85.3Confident84.8Confident18 Ų1871.9 Ų71.99%0.09235%0.353CS..Hα-helixtrans-78.2-49.3179.6-70.6161000110.1V73 I74 H75 F81 Y120 L122 F128V73-I77 HydrophobicContact CG1-CD1 3.82Å; V73-I77 WeakPolarHBondContact O-CD1 3.24Å; V73-I77 WeakPolarHBondContact O-CG1 3.02Å; V73-I77 PolarHBondContact O-N 3.46Å; V73-I77 VanDerWaalsContact O-N 3.11Å; I74-I77 PolarHBondContact O-N 3.08Å; H75-I77 VanDerWaalsContact C-N 3.32Å; H75-I77 PolarHBondContact O-N 2.96Å; I77-F81 WeakPolarHBondContact O-CE2 3.45Å; I77-Y120 HydrophobicContact CD1-CE1 3.78Å; I77-Y120 HydrophobicContact CG1-CE1 4.3Å; I77-Y120 HydrophobicContact CG2-CE1 4.49Å; I77-L122 HydrophobicContact CD1-CD1 3.8Å; I77-F128 HydrophobicContact CD1-CE2 4.11Å
78F86.3Confident85.1Confident0 Ų076.7 Ų76.70%037%0.373CS..Hα-helixtrans-86.6-22.8-171.1-75-81.2000114.1V56 I74 K80 F81 I84 L102 Y104 A117 F128 V130V56-F78 HydrophobicContact CB-CZ 4.3Å; V56-F78 HydrophobicContact CG1-CE2 4.28Å; V56-F78 HydrophobicContact CG1-CZ 3.88Å; V56-F78 HydrophobicContact CG2-CE1 3.78Å; V56-F78 HydrophobicContact CG2-CE2 4.08Å; V56-F78 HydrophobicContact CG2-CZ 3.43Å; V56-F78 VanDerWaalsContact CG2-CZ 3.43Å; I74-F78 HydrophobicContact CD1-CE2 4.27Å; I74-F78 HydrophobicContact CG2-CD2 3.74Å; I74-F78 HydrophobicContact CG2-CE2 4.28Å; I74-F78 WeakPolarHBondContact O-CD2 3.38Å; I74-F78 PolarHBondContact O-N 2.83Å; F78-K80 PolarHBondContact O-N 3.41Å; F78-F81 HydrophobicContact CD1-CD2 4.36Å; F78-F81 PolarHBondContact O-N 2.99Å; F78-F81 VanDerWaalsContact O-N 3.12Å; F78-I84 HydrophobicContact CB-CD1 3.9Å; F78-L102 HydrophobicContact CB-CD1 3.79Å; F78-L102 HydrophobicContact CD1-CD1 3.76Å; F78-L102 HydrophobicContact CD2-CD1 3.69Å; F78-L102 HydrophobicContact CE1-CD1 4.23Å; F78-L102 HydrophobicContact CE2-CD1 4.19Å; F78-L102 HydrophobicContact CG-CD1 3.45Å; F78-L102 VanDerWaalsContact CG-CD1 3.45Å; F78-L102 HydrophobicContact CZ-CD1 4.43Å; F78-Y104 WeakPolarHBondContact CB-OH 3.5Å; F78-Y104 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y104 PolarHBondContact O-OH 3.39Å; F78-A117 HydrophobicContact CD1-CB 4.37Å; F78-A117 HydrophobicContact CE1-CB 3.6Å; F78-A117 HydrophobicContact CZ-CB 4.06Å; F78-F128 HydrophobicContact CE2-CD2 4.31Å; F78-F128 HydrophobicContact CE2-CE2 4.24Å; F78-F128 HydrophobicContact CZ-CD2 4.37Å; F78-V130 HydrophobicContact CE1-CG1 4.45Å; F78-V130 HydrophobicContact CE1-CG2 4.3Å; F78-V130 HydrophobicContact CZ-CG2 4.19Å
79S85.8Confident85.2Confident47 Ų4770.5 Ų70.533%0.32934%0.343SS..THydrogen-bonded Turntrans-64.7-10.8173.1-64.70000114.3H75 F81 G82H75-S79 PolarHBondContact CE1-OG 2.9Å; H75-S79 PolarHBondContact ND1-OG 3.08Å; H75-S79 VanDerWaalsContact ND1-OG 3.08Å; H75-S79 WeakPolarHBondContact O-CB 3.36Å; H75-S79 PolarHBondContact O-N 2.89Å; H75-S79 PolarHBondContact O-OG 2.96Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-G82 WeakPolarHBondContact CA-O 3.41Å
80K85.3Confident85.2Confident159 Ų15963.5 Ų63.569%0.69131%0.314SS*.THydrogen-bonded Turntrans-72.7-24175.2-65.8-179.9-178.3177.80112.8F78F78-K80 PolarHBondContact O-N 3.41Å
81F83.4Confident85.2Confident41 Ų4167.9 Ų67.918%0.1833%0.334CS..THydrogen-bonded Turntrans-100.2-16.8-174.1-51.3-65.6000112.5I77 F78 S79 A113 N116 A117I77-F81 WeakPolarHBondContact O-CE2 3.45Å; F78-F81 HydrophobicContact CD1-CD2 4.36Å; F78-F81 PolarHBondContact O-N 2.99Å; F78-F81 VanDerWaalsContact O-N 3.12Å; S79-F81 VanDerWaalsContact C-N 3.29Å; F81-A113 HydrophobicContact CB-CB 3.89Å; F81-A113 HydrophobicContact CD2-CB 4.16Å; F81-A113 HydrophobicContact CG-CB 4.17Å; F81-N116 HydrophobicContact CD1-CB 4.19Å; F81-N116 HydrophobicContact CE1-CB 3.49Å; F81-N116 VanDerWaalsContact CE1-CB 3.49Å; F81-N116 HydrophobicContact CZ-CB 3.96Å; F81-A117 HydrophobicContact CE2-CB 3.99Å; F81-A117 HydrophobicContact CZ-CB 4.39Å
82G82.8Confident84.8Confident13 Ų1366.9 Ų66.913%0.13434%0.337CS..SBendtrans174.2173.4179.700000112S79S79-G82 WeakPolarHBondContact CA-O 3.41Å
83K83.8Confident84.1Confident164 Ų16470 Ų7071%0.71335%0.354SS*.  trans-81.8120.9172.6-174.5-177.6175.7-170.90108.3A105K83-A105 PolarHBondContact O-N 3.11Å
84I84.4Confident83.4Confident20 Ų2069.1 Ų69.110%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-75.9122.9175.2-55.5170.3000107.7F78 T86 E87 L102 Y104F78-I84 HydrophobicContact CB-CD1 3.9Å; I84-T86 WeakPolarHBondContact CG2-O 3.42Å; I84-E87 HydrophobicContact CG2-CB 4.43Å; I84-L102 HydrophobicContact CD1-CD2 4.5Å; I84-L102 HydrophobicContact CG2-CD2 4.28Å; I84-Y104 HydrophobicContact CG1-CE1 4.1Å
85T83.8Confident83Confident84 Ų8473.6 Ų73.652%0.51538%0.379SS..EExtended strand (participates in β ladder)trans-88.7-50.2180-50.30000110.1E103 A105T85-E103 PolarHBondContact N-O 3.17Å; T85-A105 PolarHBondContact OG1-N 3.23Å
86T82.6Confident82.8Confident68 Ų6869.6 Ų69.642%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-133.4145.2176.772.70000110.3I84 E103I84-T86 WeakPolarHBondContact CG2-O 3.42Å; T86-E103 WeakPolarHBondContact CB-OE2 3.31Å; T86-E103 VanDerWaalsContact CG2-OE2 3.24Å; T86-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E103 PolarHBondContact O-N 3.46Å; T86-E103 WeakPolarHBondContact OG1-CB 3.1Å; T86-E103 PolarHBondContact OG1-OE2 3.12Å
87E86.1Confident82.4Confident65 Ų6566.5 Ų66.530%0.30435%0.348SS..EExtended strand (participates in β ladder)trans-127.3124.6174.852.9163.8-138.700108.8K71 I84 Y89 L102K71-E87 WeakPolarHBondContact CD-OE1 3.35Å; K71-E87 WeakPolarHBondContact CE-OE1 3.46Å; K71-E87 IonicContact NZ-OE1 3.82Å; K71-E87 PolarHBondContact NZ-OE1 3.09Å; I84-E87 HydrophobicContact CG2-CB 4.43Å; E87-Y89 HydrophobicContact CB-CE2 3.95Å; E87-Y89 HydrophobicContact CG-CE2 4.23Å; E87-L102 HydrophobicContact CB-CD2 4.02Å
88F86.5Confident82.2Confident128 Ų12866 Ų6656%0.56135%0.346SS*.EExtended strand (participates in β ladder)trans-122.1126179.4-172-108.5000110.7P90 F101F88-P90 HydrophobicContact CD1-CG 3.92Å; F88-P90 HydrophobicContact CE1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CG 3.81Å; F88-P90 WeakPolarHBondContact O-CD 3.47Å; F88-F101 HydrophobicContact CB-CB 4.26Å; F88-F101 AromaticContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CE2 4.37Å; F88-F101 PolarHBondContact N-O 3.29Å; F88-F101 PolarHBondContact O-N 2.91Å
89Y86.6Confident82.2Confident18 Ų1869.8 Ų69.87%0.07136%0.361CS..  trans-116.599.3-179.6-69.1-100.3000108.7L70 K71 I74 E87 E91 I100L70-Y89 HydrophobicContact CD2-CD1 4.44Å; L70-Y89 HydrophobicContact CD2-CE1 4.19Å; L70-Y89 HydrophobicContact CG-CE1 4.41Å; K71-Y89 HydrophobicContact CD-CE2 4.23Å; K71-Y89 HydrophobicContact CG-CD2 4.26Å; K71-Y89 HydrophobicContact CG-CE1 4.29Å; K71-Y89 HydrophobicContact CG-CE2 3.64Å; I74-Y89 WeakPolarHBondContact CB-OH 3.4Å; I74-Y89 WeakPolarHBondContact CG2-OH 3.4Å; E87-Y89 HydrophobicContact CB-CE2 3.95Å; E87-Y89 HydrophobicContact CG-CE2 4.23Å; Y89-E91 PolarHBondContact O-N 2.87Å; Y89-I100 HydrophobicContact CD1-CB 4.27Å; Y89-I100 HydrophobicContact CD1-CG2 3.31Å; Y89-I100 HydrophobicContact CE1-CB 4.24Å; Y89-I100 HydrophobicContact CE1-CD1 4.24Å; Y89-I100 HydrophobicContact CE1-CG2 3.45Å; Y89-I100 VanDerWaalsContact CE1-CG2 3.45Å; Y89-I100 HydrophobicContact CG-CG2 4.1Å
90P84.6Confident82.4Confident11 Ų1167.6 Ų67.67%0.07135%0.346CS..  trans-63.5127.5176.6-22.233.1000111.8F88 T96 K97 Y99 F101F88-P90 HydrophobicContact CD1-CG 3.92Å; F88-P90 HydrophobicContact CE1-CB 4.35Å; F88-P90 HydrophobicContact CE1-CG 3.81Å; F88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-T96 WeakPolarHBondContact O-CA 3.36Å; P90-K97 HydrophobicContact CB-CB 4.44Å; P90-K97 HydrophobicContact CB-CD 4.22Å; P90-K97 HydrophobicContact CB-CG 4.49Å; P90-K97 PolarHBondContact O-N 3.12Å; P90-Y99 HydrophobicContact CB-CE2 3.89Å; P90-Y99 WeakPolarHBondContact CD-O 3.42Å; P90-Y99 HydrophobicContact CG-CD2 3.87Å; P90-Y99 HydrophobicContact CG-CE2 3.48Å; P90-Y99 VanDerWaalsContact CG-CE2 3.48Å; P90-F101 HydrophobicContact CG-CD2 4.02Å; P90-F101 HydrophobicContact CG-CE2 3.73Å
91E83.6Confident82.6Confident105 Ų10562.4 Ų62.449%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-111.1142.7177.4-63.3-179.2-176.800110.8L67 Y89 M95L67-E91 WeakPolarHBondContact CD1-OE1 3.39Å; Y89-E91 PolarHBondContact O-N 2.87Å; E91-M95 WeakPolarHBondContact CA-O 3.43Å
92A75.9Confident82.8Confident40 Ų4060.5 Ų60.533%0.33132%0.315SS..EExtended strand (participates in β ladder)trans-138.2138.616300000109.3G94 M95 K97A92-G94 PolarHBondContact O-N 3.22Å; A92-G94 VanDerWaalsContact O-N 3.09Å; A92-M95 PolarHBondContact N-O 3.04Å; A92-M95 PolarHBondContact O-N 3Å; A92-K97 HydrophobicContact CB-CD 4.22Å; A92-K97 HydrophobicContact CB-CG 4Å
93D73.4Confident83.1Confident175 Ų17562.7 Ų62.794%0.93632%0.322SS*.THydrogen-bonded Turntrans5233.2178.8-55.7-33.3000114M95D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 PolarHBondContact O-N 3.14Å
94G71.4Confident83.2Confident43 Ų4355 Ų5544%0.44329%0.288SS..THydrogen-bonded Turntrans76.311.9179.900000115.3P64 A92P64-G94 VanDerWaalsContact CD-O 3.28Å; P64-G94 WeakPolarHBondContact CD-O 3.4Å; A92-G94 PolarHBondContact O-N 3.22Å; A92-G94 VanDerWaalsContact O-N 3.09Å
95M78.6Confident83.2Confident94 Ų9457.3 Ų57.346%0.46331%0.311SS..EExtended strand (participates in β ladder)trans-127.9151.5171.5-64.2-136.8-66.200112.1V62 E91 A92 D93V62-M95 WeakPolarHBondContact O-CA 3.39Å; E91-M95 WeakPolarHBondContact CA-O 3.43Å; A92-M95 PolarHBondContact N-O 3.04Å; A92-M95 PolarHBondContact O-N 3Å; D93-M95 VanDerWaalsContact C-N 3.33Å; D93-M95 PolarHBondContact O-N 3.14Å
96T82.9Confident83.2Confident5 Ų554.6 Ų54.63%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-68.9139.2176.256.50000111.6P60 Q61 V62 L67 P90 G98P60-T96 PolarHBondContact O-OG1 3.03Å; Q61-T96 WeakPolarHBondContact CA-OG1 3.36Å; Q61-T96 WeakPolarHBondContact CG-O 3.45Å; V62-T96 HydrophobicContact CG2-CG2 4.07Å; V62-T96 PolarHBondContact N-OG1 3.38Å; V62-T96 PolarHBondContact O-N 2.87Å; V62-T96 VanDerWaalsContact O-N 3.08Å; L67-T96 HydrophobicContact CD1-CG2 3.42Å; L67-T96 VanDerWaalsContact CD1-CG2 3.42Å; P90-T96 WeakPolarHBondContact O-CA 3.36Å; T96-G98 PolarHBondContact O-N 3.03Å; T96-G98 VanDerWaalsContact O-N 3.09Å
97K77.9Confident83.2Confident99 Ų9954.2 Ų54.243%0.4330%0.296SS..  trans-731.7-175.8-68.2-174.4175.51770115.6P90 A92 Y99P90-K97 HydrophobicContact CB-CB 4.44Å; P90-K97 HydrophobicContact CB-CD 4.22Å; P90-K97 HydrophobicContact CB-CG 4.49Å; P90-K97 PolarHBondContact O-N 3.12Å; A92-K97 HydrophobicContact CB-CD 4.22Å; A92-K97 HydrophobicContact CB-CG 4Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 HydrophobicContact CB-CD1 3.98Å; K97-Y99 HydrophobicContact CB-CE1 3.46Å; K97-Y99 VanDerWaalsContact CB-CE1 3.46Å; K97-Y99 HydrophobicContact CD-CE1 4.12Å; K97-Y99 VanDerWaalsContact CD-OH 3.3Å; K97-Y99 WeakPolarHBondContact CD-OH 3.35Å; K97-Y99 HydrophobicContact CG-CE1 4.44Å
98G80.3Confident83.1Confident6 Ų656.2 Ų56.26%0.06231%0.312CS..SBendtrans81.97.9176.700000115N58 V59 T96N58-G98 PolarHBondContact N-O 3.11Å; V59-G98 PolarHBondContact N-O 3.28Å; V59-G98 VanDerWaalsContact O-CA 3.24Å; V59-G98 WeakPolarHBondContact O-CA 3.34Å; T96-G98 PolarHBondContact O-N 3.03Å; T96-G98 VanDerWaalsContact O-N 3.09Å
99Y87Confident83.1Confident80 Ų8052.7 Ų52.731%0.31430%0.297SS..EExtended strand (participates in β ladder)trans-130.3155.916656.6-89.9000109.5V56 P90 K97 F101V56-Y99 CarbonylContact O-C 3.5Å; V56-Y99 WeakPolarHBondContact O-CA 3.08Å; P90-Y99 HydrophobicContact CB-CE2 3.89Å; P90-Y99 WeakPolarHBondContact CD-O 3.42Å; P90-Y99 HydrophobicContact CG-CD2 3.87Å; P90-Y99 HydrophobicContact CG-CE2 3.48Å; P90-Y99 VanDerWaalsContact CG-CE2 3.48Å; K97-Y99 VanDerWaalsContact C-N 3.33Å; K97-Y99 HydrophobicContact CB-CD1 3.98Å; K97-Y99 HydrophobicContact CB-CE1 3.46Å; K97-Y99 VanDerWaalsContact CB-CE1 3.46Å; K97-Y99 HydrophobicContact CD-CE1 4.12Å; K97-Y99 VanDerWaalsContact CD-OH 3.3Å; K97-Y99 WeakPolarHBondContact CD-OH 3.35Å; K97-Y99 HydrophobicContact CG-CE1 4.44Å; Y99-F101 AromaticContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CZ 4.13Å; Y99-F101 AromaticContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CZ 4.11Å
100I89.6Confident82.8Confident2 Ų251.8 Ų51.81%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-140.1155.8-179.265.9175.3000110V56 V59 I74 Y89 L102V56-I100 HydrophobicContact CB-CD1 4.13Å; V56-I100 HydrophobicContact CB-CG1 3.65Å; V56-I100 HydrophobicContact CG1-CG1 4.43Å; V56-I100 HydrophobicContact CG2-CD1 4.44Å; V56-I100 HydrophobicContact CG2-CG1 4.22Å; V56-I100 PolarHBondContact N-O 3.05Å; V56-I100 PolarHBondContact O-N 3.32Å; V59-I100 HydrophobicContact CB-CG2 4.42Å; V59-I100 HydrophobicContact CG1-CG2 4.26Å; V59-I100 HydrophobicContact CG2-CD1 4.21Å; V59-I100 HydrophobicContact CG2-CG1 4.03Å; V59-I100 HydrophobicContact CG2-CG2 4.2Å; I74-I100 HydrophobicContact CB-CD1 4.38Å; I74-I100 HydrophobicContact CD1-CD1 3.97Å; I74-I100 HydrophobicContact CG1-CD1 4Å; I74-I100 HydrophobicContact CG2-CD1 3.51Å; Y89-I100 HydrophobicContact CD1-CB 4.27Å; Y89-I100 HydrophobicContact CD1-CG2 3.31Å; Y89-I100 HydrophobicContact CE1-CB 4.24Å; Y89-I100 HydrophobicContact CE1-CD1 4.24Å; Y89-I100 HydrophobicContact CE1-CG2 3.45Å; Y89-I100 VanDerWaalsContact CE1-CG2 3.45Å; Y89-I100 HydrophobicContact CG-CG2 4.1Å; I100-L102 HydrophobicContact CD1-CD1 4.3Å; I100-L102 HydrophobicContact CD1-CD2 4.32Å; I100-L102 HydrophobicContact CD1-CG 4.25Å
101F89.3Confident82.8Confident50 Ų5055 Ų5522%0.21931%0.314CS..EExtended strand (participates in β ladder)trans-112.6130.5173.5-56.5-91.8000109.6V53 V54 V55 F88 P90 Y99 F133V53-F101 HydrophobicContact CG1-CB 4.26Å; V53-F101 HydrophobicContact CG1-CD1 4.14Å; V54-F101 WeakPolarHBondContact O-CA 3.47Å; V55-F101 HydrophobicContact CG1-CE1 4.22Å; V55-F101 HydrophobicContact CG2-CD1 3.77Å; V55-F101 HydrophobicContact CG2-CE1 3.66Å; F88-F101 HydrophobicContact CB-CB 4.26Å; F88-F101 AromaticContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CD2 3.83Å; F88-F101 HydrophobicContact CD1-CE2 4.37Å; F88-F101 PolarHBondContact N-O 3.29Å; F88-F101 PolarHBondContact O-N 2.91Å; P90-F101 HydrophobicContact CG-CD2 4.02Å; P90-F101 HydrophobicContact CG-CE2 3.73Å; Y99-F101 AromaticContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CE2 3.85Å; Y99-F101 HydrophobicContact CD2-CZ 4.13Å; Y99-F101 AromaticContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CE2 3.82Å; Y99-F101 HydrophobicContact CE2-CZ 4.11Å; F101-F133 HydrophobicContact CD1-CD2 4.22Å; F101-F133 AromaticContact CE1-CD2 3.9Å; F101-F133 HydrophobicContact CE1-CD2 3.9Å; F101-F133 AromaticContact CE1-CE2 3.93Å; F101-F133 HydrophobicContact CE1-CE2 3.93Å
102L88.4Confident82.8Confident0 Ų055 Ų550%031%0.314CS..EExtended strand (participates in β ladder)trans-122.1121.4176.7-61.9176.4000108.5V54 V56 I74 F78 I84 E87 I100V54-L102 PolarHBondContact N-O 3.12Å; V54-L102 PolarHBondContact O-N 2.91Å; V56-L102 HydrophobicContact CG2-CD1 4.05Å; I74-L102 HydrophobicContact CG2-CD1 4.08Å; I74-L102 HydrophobicContact CG2-CD2 4.15Å; F78-L102 HydrophobicContact CB-CD1 3.79Å; F78-L102 HydrophobicContact CD1-CD1 3.76Å; F78-L102 HydrophobicContact CD2-CD1 3.69Å; F78-L102 HydrophobicContact CE1-CD1 4.23Å; F78-L102 HydrophobicContact CE2-CD1 4.19Å; F78-L102 HydrophobicContact CG-CD1 3.45Å; F78-L102 VanDerWaalsContact CG-CD1 3.45Å; F78-L102 HydrophobicContact CZ-CD1 4.43Å; I84-L102 HydrophobicContact CD1-CD2 4.5Å; I84-L102 HydrophobicContact CG2-CD2 4.28Å; E87-L102 HydrophobicContact CB-CD2 4.02Å; I100-L102 HydrophobicContact CD1-CD1 4.3Å; I100-L102 HydrophobicContact CD1-CD2 4.32Å; I100-L102 HydrophobicContact CD1-CG 4.25Å
103E88Confident83.2Confident59 Ų5953.1 Ų53.128%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-99.3127.7175-168.4-176.7179.100109.6V53 T85 T86V53-E103 HydrophobicContact CG2-CB 4.41Å; V53-E103 HydrophobicContact CG2-CG 4.14Å; T85-E103 PolarHBondContact N-O 3.17Å; T86-E103 WeakPolarHBondContact CB-OE2 3.31Å; T86-E103 VanDerWaalsContact CG2-OE2 3.24Å; T86-E103 WeakPolarHBondContact CG2-OE2 3.44Å; T86-E103 PolarHBondContact O-N 3.46Å; T86-E103 WeakPolarHBondContact OG1-CB 3.1Å; T86-E103 PolarHBondContact OG1-OE2 3.12Å
104Y87.1Confident83.7Confident2 Ų246.1 Ų46.11%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-96.1158.7173.4-72-81.6000111.5S52 V54 F78 I84 A106 Q109 A110 A113S52-Y104 WeakPolarHBondContact CB-O 3.3Å; S52-Y104 PolarHBondContact O-N 2.96Å; V54-Y104 HydrophobicContact CB-CE2 4.37Å; V54-Y104 HydrophobicContact CG2-CD2 3.96Å; V54-Y104 HydrophobicContact CG2-CE2 3.82Å; F78-Y104 WeakPolarHBondContact CB-OH 3.5Å; F78-Y104 WeakPolarHBondContact CD1-OH 3.49Å; F78-Y104 PolarHBondContact O-OH 3.39Å; I84-Y104 HydrophobicContact CG1-CE1 4.1Å; Y104-A106 PolarHBondContact O-N 3.03Å; Y104-Q109 HydrophobicContact CD1-CB 4.02Å; Y104-Q109 HydrophobicContact CG-CB 4.04Å; Y104-A110 HydrophobicContact CD2-CB 3.96Å; Y104-A113 HydrophobicContact CE2-CB 3.77Å; Y104-A113 WeakPolarHBondContact OH-CB 3.06Å
105A84Confident84.3Confident70 Ų7051.7 Ų51.758%0.57927%0.273SS*.SBendtrans-68.5-18.8174.700000113.6K83 T85K83-A105 PolarHBondContact O-N 3.11Å; T85-A105 PolarHBondContact OG1-N 3.23Å
106A83.7Confident84.5Confident26 Ų2651.5 Ų51.522%0.21527%0.274CS..SBendtrans-141.4140.6179.800000111.7Y104 T108 Q109 A110Y104-A106 PolarHBondContact O-N 3.03Å; A106-T108 PolarHBondContact O-N 3.09Å; A106-Q109 HydrophobicContact CB-CG 4.23Å; A106-Q109 WeakPolarHBondContact O-CB 3.32Å; A106-Q109 PolarHBondContact O-N 2.81Å; A106-Q109 VanDerWaalsContact O-N 3.08Å; A106-A110 PolarHBondContact O-N 2.92Å
107P83.1Confident84.5Confident61 Ų6151.3 Ų51.340%0.39627%0.273SS..Hα-helixtrans-58.5-33.1177.5-25.232000113.8D51 S52 Q109 A110 V111D51-P107 HydrophobicContact CB-CB 4.13Å; D51-P107 HydrophobicContact CB-CG 4.25Å; S52-P107 WeakPolarHBondContact OG-CD 3.19Å; S52-P107 WeakPolarHBondContact OG-CG 3.41Å; P107-Q109 VanDerWaalsContact C-N 3.26Å; P107-Q109 PolarHBondContact O-N 2.88Å; P107-A110 WeakPolarHBondContact O-CB 3.29Å; P107-A110 PolarHBondContact O-N 3.32Å; P107-V111 WeakPolarHBondContact O-CG2 3.45Å; P107-V111 PolarHBondContact O-N 3.38Å; P107-V111 VanDerWaalsContact O-N 3.09Å
108T83.6Confident84.7Confident106 Ų10650.8 Ų50.865%0.6528%0.275SS*.Hα-helixtrans-62.9-32.7178.451.10000112.6A106 E112A106-T108 PolarHBondContact O-N 3.09Å; T108-E112 WeakPolarHBondContact O-CB 3.41Å; T108-E112 PolarHBondContact O-N 2.97Å; T108-E112 VanDerWaalsContact O-N 3.09Å
109Q85.6Confident84.7Confident54 Ų5452.5 Ų52.525%0.25229%0.293SS..Hα-helixtrans-72.9-36.6176.6-64175.6-3.400111.4Y104 A106 P107 E112 A113Y104-Q109 HydrophobicContact CD1-CB 4.02Å; Y104-Q109 HydrophobicContact CG-CB 4.04Å; A106-Q109 HydrophobicContact CB-CG 4.23Å; A106-Q109 WeakPolarHBondContact O-CB 3.32Å; A106-Q109 PolarHBondContact O-N 2.81Å; A106-Q109 VanDerWaalsContact O-N 3.08Å; P107-Q109 VanDerWaalsContact C-N 3.26Å; P107-Q109 PolarHBondContact O-N 2.88Å; Q109-E112 PolarHBondContact O-N 2.94Å; Q109-A113 VanDerWaalsContact O-CB 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 3.07Å
110A81.8Confident84.5Confident0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-62-44.9174.200000111.4V54 Y104 A106 P107 A113 V114 L132V54-A110 HydrophobicContact CG2-CB 3.49Å; V54-A110 VanDerWaalsContact CG2-CB 3.49Å; Y104-A110 HydrophobicContact CD2-CB 3.96Å; A106-A110 PolarHBondContact O-N 2.92Å; P107-A110 WeakPolarHBondContact O-CB 3.29Å; P107-A110 PolarHBondContact O-N 3.32Å; A110-A113 PolarHBondContact O-N 3.14Å; A110-V114 VanDerWaalsContact O-CG2 3.29Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.38Å; A110-L132 HydrophobicContact CB-CD2 4Å
111V83.2Confident84.2Confident79 Ų7961 Ų6148%0.47933%0.329SS..Hα-helixtrans-63.4-41.9175.9176.80000111.7P107 V114 K115 L132P107-V111 WeakPolarHBondContact O-CG2 3.45Å; P107-V111 PolarHBondContact O-N 3.38Å; P107-V111 VanDerWaalsContact O-N 3.09Å; V111-V114 PolarHBondContact O-N 3.04Å; V111-K115 WeakPolarHBondContact O-CB 3.24Å; V111-K115 PolarHBondContact O-N 3.43Å; V111-L132 HydrophobicContact CG2-CD1 4.21Å
112E84.1Confident83.8Confident105 Ų10561.3 Ų61.349%0.49133%0.332SS..Hα-helixtrans-67-37.5177.5-171.1171.8-173.700112.2T108 Q109 N116T108-E112 WeakPolarHBondContact O-CB 3.41Å; T108-E112 PolarHBondContact O-N 2.97Å; T108-E112 VanDerWaalsContact O-N 3.09Å; Q109-E112 PolarHBondContact O-N 2.94Å; E112-N116 WeakPolarHBondContact CG-ND2 3.42Å; E112-N116 WeakPolarHBondContact O-CB 3.41Å; E112-N116 PolarHBondContact O-N 2.9Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.09Å; E112-N116 VanDerWaalsContact O-ND2 3.07Å
113A84.2Confident83.3Confident0 Ų066 Ų660%036%0.358CS..Hα-helixtrans-64.1-45.1174.400000111.5F81 Y104 Q109 A110 N116 A117F81-A113 HydrophobicContact CB-CB 3.89Å; F81-A113 HydrophobicContact CD2-CB 4.16Å; F81-A113 HydrophobicContact CG-CB 4.17Å; Y104-A113 HydrophobicContact CE2-CB 3.77Å; Y104-A113 WeakPolarHBondContact OH-CB 3.06Å; Q109-A113 VanDerWaalsContact O-CB 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.45Å; Q109-A113 PolarHBondContact O-N 3.07Å; A110-A113 PolarHBondContact O-N 3.14Å; A113-N116 PolarHBondContact O-N 2.84Å; A113-A117 WeakPolarHBondContact O-CA 3.46Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.46Å
114V84.9Confident82.7Confident27 Ų2773.1 Ų73.116%0.16439%0.388CS..Hα-helixtrans-59.1-49.5175.9168.80000110.8V54 A110 V111 N116 D118 V130 L132V54-V114 HydrophobicContact CG1-CG2 3.93Å; V54-V114 HydrophobicContact CG2-CG2 4.16Å; A110-V114 VanDerWaalsContact O-CG2 3.29Å; A110-V114 WeakPolarHBondContact O-CG2 3.42Å; A110-V114 PolarHBondContact O-N 3.38Å; V111-V114 PolarHBondContact O-N 3.04Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 3.41Å; V114-D118 VanDerWaalsContact O-CB 3.23Å; V114-D118 WeakPolarHBondContact O-CB 3.38Å; V114-D118 PolarHBondContact O-N 3.35Å; V114-V130 HydrophobicContact CB-CG1 4.3Å; V114-V130 WeakPolarHBondContact CG1-O 3.43Å; V114-V130 HydrophobicContact CG2-CG1 3.81Å; V114-L132 HydrophobicContact CG2-CD2 3.9Å; V114-L132 HydrophobicContact CG2-CG 3.99Å
115K83.1Confident82.2Confident161 Ų16180.5 Ų80.570%0.742%0.422SS*.Hα-helixtrans-62.7-35.7-176.7-168.9178.9178.7-173.30113.4V111V111-K115 WeakPolarHBondContact O-CB 3.24Å; V111-K115 PolarHBondContact O-N 3.43Å
116N83.3Confident82Confident89 Ų8979.1 Ų79.148%0.47640%0.404SS..Hα-helixtrans-101.3-22.7-172.8-68.4-47.6000114.4F81 E112 A113 V114F81-N116 HydrophobicContact CD1-CB 4.19Å; F81-N116 HydrophobicContact CE1-CB 3.49Å; F81-N116 VanDerWaalsContact CE1-CB 3.49Å; F81-N116 HydrophobicContact CZ-CB 3.96Å; E112-N116 WeakPolarHBondContact CG-ND2 3.42Å; E112-N116 WeakPolarHBondContact O-CB 3.41Å; E112-N116 PolarHBondContact O-N 2.9Å; E112-N116 VanDerWaalsContact O-N 3.14Å; E112-N116 PolarHBondContact O-ND2 3.09Å; E112-N116 VanDerWaalsContact O-ND2 3.07Å; A113-N116 PolarHBondContact O-N 2.84Å; V114-N116 VanDerWaalsContact C-N 3.31Å; V114-N116 PolarHBondContact O-N 3.41Å
117A82.5Confident82Confident1 Ų179.9 Ų79.91%0.00841%0.406CS..Hα-helixtrans-101.2-13.4-17800000113.6F78 F81 A113 G119 Y120 V130F78-A117 HydrophobicContact CD1-CB 4.37Å; F78-A117 HydrophobicContact CE1-CB 3.6Å; F78-A117 HydrophobicContact CZ-CB 4.06Å; F81-A117 HydrophobicContact CE2-CB 3.99Å; F81-A117 HydrophobicContact CZ-CB 4.39Å; A113-A117 WeakPolarHBondContact O-CA 3.46Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.46Å; A117-G119 PolarHBondContact O-N 2.98Å; A117-Y120 VanDerWaalsContact O-CB 3.25Å; A117-Y120 WeakPolarHBondContact O-CB 3.38Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Y120 VanDerWaalsContact O-N 3.17Å; A117-V130 HydrophobicContact CB-CG2 4Å
118D83.1Confident82.1Confident89 Ų8977 Ų7748%0.47639%0.387SS..THydrogen-bonded Turntrans-64126.4172.6-171.443.7000111.2V114 R129 V130V114-D118 VanDerWaalsContact O-CB 3.23Å; V114-D118 WeakPolarHBondContact O-CB 3.38Å; V114-D118 PolarHBondContact O-N 3.35Å; D118-R129 VanDerWaalsContact OD1-CA 3.29Å; D118-R129 WeakPolarHBondContact OD1-CA 3.23Å; D118-V130 HydrophobicContact CB-CB 4.27Å; D118-V130 PolarHBondContact OD1-N 3.08Å; D118-V130 VanDerWaalsContact OD1-N 3.08Å
119G79.8Confident82.1Confident42 Ų4280 Ų8043%0.43339%0.386SS..THydrogen-bonded Turntrans83.86.6-174.900000115.4A117 K121 T127 F128A117-G119 PolarHBondContact O-N 2.98Å; G119-K121 PolarHBondContact O-N 3.24Å; G119-T127 WeakPolarHBondContact O-CG2 3.45Å; G119-F128 WeakPolarHBondContact CA-O 2.87Å; G119-F128 PolarHBondContact N-O 2.91Å
120Y83.3Confident82.1Confident104 Ų10477.4 Ų77.441%0.40838%0.375SS..  trans-66.4122.5176.5-174-90000111.6I77 A117 L122 T127 F128I77-Y120 HydrophobicContact CD1-CE1 3.78Å; I77-Y120 HydrophobicContact CG1-CE1 4.3Å; I77-Y120 HydrophobicContact CG2-CE1 4.49Å; A117-Y120 VanDerWaalsContact O-CB 3.25Å; A117-Y120 WeakPolarHBondContact O-CB 3.38Å; A117-Y120 PolarHBondContact O-N 2.95Å; A117-Y120 VanDerWaalsContact O-N 3.17Å; Y120-L122 HydrophobicContact CE1-CD1 4.5Å; Y120-T127 WeakPolarHBondContact O-CA 3.43Å; Y120-F128 AromaticContact CD1-CD2 3.78Å; Y120-F128 HydrophobicContact CD1-CD2 3.78Å; Y120-F128 AromaticContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CE1-CE2 4.45Å; Y120-F128 HydrophobicContact CG-CD2 4.39Å; Y120-F128 PolarHBondContact O-N 3.39Å
121K83.4Confident82.2Confident157 Ų15780.2 Ų80.268%0.68339%0.389SS*.BIsolated β-bridgetrans-88.7112.2179.8-67.8-173.9177.9178.50110.9G119 T127G119-K121 PolarHBondContact O-N 3.24Å; K121-T127 HydrophobicContact CG-CG2 3.94Å
122L80.5Confident82.3Confident55 Ų5577.9 Ų77.929%0.28837%0.374SS..SBendtrans-81.1-43.2173.8-169.876.9000111.3P60 V73 I77 Y120 H126 F128P60-L122 HydrophobicContact CG-CD2 3.49Å; P60-L122 VanDerWaalsContact CG-CD2 3.49Å; V73-L122 HydrophobicContact CG1-CD1 3.74Å; I77-L122 HydrophobicContact CD1-CD1 3.8Å; Y120-L122 HydrophobicContact CE1-CD1 4.5Å; L122-H126 HydrophobicContact CB-CB 4.31Å; L122-H126 PolarHBondContact N-O 3.22Å; L122-F128 HydrophobicContact CB-CE1 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.42Å; L122-F128 HydrophobicContact CB-CZ 3.96Å; L122-F128 HydrophobicContact CD1-CE2 4.29Å; L122-F128 HydrophobicContact CD1-CZ 3.93Å; L122-F128 HydrophobicContact CD2-CE1 4.17Å; L122-F128 HydrophobicContact CD2-CZ 3.88Å; L122-F128 HydrophobicContact CG-CZ 4.14Å
123D76.9Confident82Confident100 Ų10076.9 Ų76.954%0.53537%0.368SS..SBendtrans-151.8178.1176.3-166.58.3000109.9Q125 H126D123-Q125 PolarHBondContact O-N 3.39Å; D123-Q125 VanDerWaalsContact O-N 3.09Å; D123-H126 PolarHBondContact N-O 2.82Å; D123-H126 PolarHBondContact O-N 3.39Å
124K76.5Confident81.5Confident208 Ų20878.6 Ų78.690%0.90438%0.379SS*.SBendtrans-53.9-29.4179.1-83.5-175.9177.2176.80114.3
125Q75.8Confident80.8Confident156 Ų15678.9 Ų78.973%0.72938%0.38SS*.SBendtrans-100.9-24.2-177.6-68.4177.8-8.300113.4D123D123-Q125 PolarHBondContact O-N 3.39Å; D123-Q125 VanDerWaalsContact O-N 3.09Å
126H78.9Confident80.1Confident42 Ų4277 Ų7719%0.19437%0.371CS..  trans-113.2107.4-171.3-55.2100.3000110.1P60 L122 D123P60-H126 HydrophobicContact CG-CB 4.35Å; L122-H126 HydrophobicContact CB-CB 4.31Å; L122-H126 PolarHBondContact N-O 3.22Å; D123-H126 PolarHBondContact N-O 2.82Å; D123-H126 PolarHBondContact O-N 3.39Å
127T84.9Confident79.3Confident42 Ų4277 Ų7726%0.25837%0.372SS..BIsolated β-bridgetrans-117.2116.8170.9-53.80000106.8N58 G119 Y120 K121N58-T127 WeakPolarHBondContact CB-O 3.44Å; N58-T127 PolarHBondContact ND2-N 3.19Å; N58-T127 PolarHBondContact ND2-O 3.16Å; G119-T127 WeakPolarHBondContact O-CG2 3.45Å; Y120-T127 WeakPolarHBondContact O-CA 3.43Å; K121-T127 HydrophobicContact CG-CG2 3.94Å
128F85.9Confident78.4Confident0 Ų083.6 Ų83.60%040%0.4CS..  trans-63.9139.7-178.3-62.9-32.3000110.7V56 D57 V59 I74 I77 F78 G119 Y120 L122 V130V56-F128 HydrophobicContact CG1-CB 4.01Å; V56-F128 HydrophobicContact CG1-CD1 4.04Å; V56-F128 HydrophobicContact CG1-CG 3.96Å; D57-F128 WeakPolarHBondContact O-CA 3.41Å; V59-F128 HydrophobicContact CB-CE1 4.47Å; V59-F128 HydrophobicContact CG2-CD1 4.24Å; V59-F128 HydrophobicContact CG2-CE1 4.1Å; I74-F128 HydrophobicContact CD1-CE1 4.23Å; I74-F128 HydrophobicContact CD1-CE2 4.15Å; I74-F128 HydrophobicContact CD1-CZ 3.58Å; I77-F128 HydrophobicContact CD1-CE2 4.11Å; F78-F128 HydrophobicContact CE2-CD2 4.31Å; F78-F128 HydrophobicContact CE2-CE2 4.24Å; F78-F128 HydrophobicContact CZ-CD2 4.37Å; G119-F128 WeakPolarHBondContact CA-O 2.87Å; G119-F128 PolarHBondContact N-O 2.91Å; Y120-F128 AromaticContact CD1-CD2 3.78Å; Y120-F128 HydrophobicContact CD1-CD2 3.78Å; Y120-F128 AromaticContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CD1-CE2 3.88Å; Y120-F128 HydrophobicContact CE1-CE2 4.45Å; Y120-F128 HydrophobicContact CG-CD2 4.39Å; Y120-F128 PolarHBondContact O-N 3.39Å; L122-F128 HydrophobicContact CB-CE1 4.25Å; L122-F128 HydrophobicContact CB-CE2 4.42Å; L122-F128 HydrophobicContact CB-CZ 3.96Å; L122-F128 HydrophobicContact CD1-CE2 4.29Å; L122-F128 HydrophobicContact CD1-CZ 3.93Å; L122-F128 HydrophobicContact CD2-CE1 4.17Å; L122-F128 HydrophobicContact CD2-CZ 3.88Å; L122-F128 HydrophobicContact CG-CZ 4.14Å; F128-V130 HydrophobicContact CB-CG2 4.27Å
129R83.5Confident77.4Confident168 Ų16885.5 Ų85.563%0.63440%0.402SS*.EExtended strand (participates in β ladder)trans-115.2125.4163.8-73.8-167.7176-170.1-0.5108.6V56 D57 D118V56-R129 CarbonylContact C-O 3.55Å; V56-R129 WeakPolarHBondContact CA-O 3.45Å; D57-R129 HydrophobicContact CB-CB 4.27Å; D57-R129 PolarHBondContact N-O 3.3Å; D57-R129 PolarHBondContact O-N 3.19Å; D57-R129 VanDerWaalsContact O-N 3.11Å; D118-R129 VanDerWaalsContact OD1-CA 3.29Å; D118-R129 WeakPolarHBondContact OD1-CA 3.23Å
130V85.5Confident76.7Confident1 Ų189.9 Ų89.91%0.00641%0.412CS..EExtended strand (participates in β ladder)trans-119.6120.8-170.2-170.70000108V54 V55 V56 F78 V114 A117 D118 F128V54-V130 HydrophobicContact CG1-CG1 3.14Å; V55-V130 WeakPolarHBondContact O-CA 3.4Å; V56-V130 HydrophobicContact CG1-CG2 4.2Å; V56-V130 HydrophobicContact CG2-CG1 4.16Å; V56-V130 HydrophobicContact CG2-CG2 4.2Å; F78-V130 HydrophobicContact CE1-CG1 4.45Å; F78-V130 HydrophobicContact CE1-CG2 4.3Å; F78-V130 HydrophobicContact CZ-CG2 4.19Å; V114-V130 HydrophobicContact CB-CG1 4.3Å; V114-V130 WeakPolarHBondContact CG1-O 3.43Å; V114-V130 HydrophobicContact CG2-CG1 3.81Å; A117-V130 HydrophobicContact CB-CG2 4Å; D118-V130 HydrophobicContact CB-CB 4.27Å; D118-V130 PolarHBondContact OD1-N 3.08Å; D118-V130 VanDerWaalsContact OD1-N 3.08Å; F128-V130 HydrophobicContact CB-CG2 4.27Å
131N83.5Confident75.7Confident58 Ų5891.4 Ų91.431%0.3143%0.427SS..EExtended strand (participates in β ladder)trans-129.9156.7179.9-61-62.8000110V55V55-N131 PolarHBondContact N-O 3.11Å; V55-N131 PolarHBondContact O-N 2.76Å
132L84.4Confident74.8Confident31 Ų3188.7 Ų88.716%0.16242%0.419CS..EExtended strand (participates in β ladder)trans-75.7149.3168.8-66.4167.7000109.5V54 A110 V111 V114 T134 D135V54-L132 HydrophobicContact CG2-CD2 4.37Å; A110-L132 HydrophobicContact CB-CD2 4Å; V111-L132 HydrophobicContact CG2-CD1 4.21Å; V114-L132 HydrophobicContact CG2-CD2 3.9Å; V114-L132 HydrophobicContact CG2-CG 3.99Å; L132-T134 WeakPolarHBondContact CB-OG1 3.48Å; L132-T134 PolarHBondContact O-N 3.17Å; L132-D135 PolarHBondContact N-OD2 3.35Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.34Å; L132-D135 VanDerWaalsContact O-N 3.16Å
133F78.8Confident73.8Confident84 Ų8490 Ų9037%0.36843%0.433SS..THydrogen-bonded Turntrans-61.9-36.2175-170.4-94.4000111.8I50 V53 V55 F101 D135 F136I50-F133 HydrophobicContact CB-CD1 3.98Å; I50-F133 HydrophobicContact CG2-CD1 4.05Å; I50-F133 HydrophobicContact CG2-CE1 4.24Å; V53-F133 HydrophobicContact CB-CB 3.97Å; V53-F133 HydrophobicContact CG1-CB 4.08Å; V53-F133 HydrophobicContact CG1-CD2 4.44Å; V53-F133 HydrophobicContact CG1-CG 4.45Å; V53-F133 PolarHBondContact O-N 3.03Å; V55-F133 HydrophobicContact CG2-CB 4.33Å; V55-F133 HydrophobicContact CG2-CD2 3.97Å; F101-F133 HydrophobicContact CD1-CD2 4.22Å; F101-F133 AromaticContact CE1-CD2 3.9Å; F101-F133 HydrophobicContact CE1-CD2 3.9Å; F101-F133 AromaticContact CE1-CE2 3.93Å; F101-F133 HydrophobicContact CE1-CE2 3.93Å; F133-D135 PolarHBondContact O-N 2.79Å; F133-F136 VanDerWaalsContact O-CB 3.31Å; F133-F136 WeakPolarHBondContact O-CB 3.47Å; F133-F136 PolarHBondContact O-N 2.93Å; F133-F136 VanDerWaalsContact O-N 3.11Å
134T74.1Confident73.3Confident36 Ų3693.7 Ų93.722%0.22145%0.453CS..THydrogen-bonded Turntrans-62.2-21.9174.845.60000115I50 D51 L132 F136 D137I50-T134 HydrophobicContact CB-CG2 4.34Å; I50-T134 HydrophobicContact CD1-CG2 3.75Å; I50-T134 HydrophobicContact CG1-CG2 3.57Å; D51-T134 WeakPolarHBondContact OD1-CG2 3.29Å; L132-T134 WeakPolarHBondContact CB-OG1 3.48Å; L132-T134 PolarHBondContact O-N 3.17Å; T134-F136 PolarHBondContact O-N 3.39Å; T134-D137 PolarHBondContact O-N 2.87Å
135D69.3Low72.7Confident33 Ų3391 Ų9118%0.17644%0.443CS..Hα-helixtrans-67.1-20176.6-75.7-40.8000111.3L132 F133 K138 Y139L132-D135 PolarHBondContact N-OD2 3.35Å; L132-D135 WeakPolarHBondContact O-CB 3.45Å; L132-D135 PolarHBondContact O-N 3.34Å; L132-D135 VanDerWaalsContact O-N 3.16Å; F133-D135 PolarHBondContact O-N 2.79Å; D135-K138 WeakPolarHBondContact O-CB 3.4Å; D135-K138 PolarHBondContact O-N 3.45Å; D135-Y139 HydrophobicContact CB-CD2 4.12Å; D135-Y139 HydrophobicContact CB-CE2 3.6Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.5Å
136F67.7Low71.9Confident121 Ų12194.2 Ų94.253%0.53145%0.449SS..Hα-helixtrans-61.2-46.8175.9-171.5-98.2000112.2F133 T134 K138 Y139 M140F133-F136 VanDerWaalsContact O-CB 3.31Å; F133-F136 WeakPolarHBondContact O-CB 3.47Å; F133-F136 PolarHBondContact O-N 2.93Å; F133-F136 VanDerWaalsContact O-N 3.11Å; T134-F136 PolarHBondContact O-N 3.39Å; F136-K138 VanDerWaalsContact C-N 3.25Å; F136-K138 PolarHBondContact O-N 3.35Å; F136-Y139 PolarHBondContact O-N 2.94Å; F136-M140 HydrophobicContact CD1-CG 4.36Å; F136-M140 HydrophobicContact CD1-SD 4.09Å; F136-M140 HydrophobicContact CE1-CE 3.98Å; F136-M140 HydrophobicContact CE1-CG 3.89Å; F136-M140 HydrophobicContact CE1-SD 3.38Å; F136-M140 WeakPolarHBondContact CE1-SD 3.44Å; F136-M140 HydrophobicContact CZ-CE 4.12Å; F136-M140 HydrophobicContact CZ-CG 4.19Å; F136-M140 HydrophobicContact CZ-SD 4.02Å; F136-M140 WeakPolarHBondContact O-CB 3.2Å; F136-M140 PolarHBondContact O-N 3.33Å
137D66.5Low71.1Confident90 Ų9099.7 Ų99.748%0.48148%0.475SS..Hα-helixtrans-64.4-34.8175.6-76.7-15.4000111.6T134 N141T134-D137 PolarHBondContact O-N 2.87Å; D137-N141 VanDerWaalsContact O-CB 3.26Å; D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3Å; D137-N141 PolarHBondContact O-ND2 3.23Å
138K63.8Low70.2Confident138 Ų138101.3 Ų101.360%0.649%0.493SS*.Hα-helixtrans-64.3-42.8175.1-172.3179.3-179-178.80111.5D135 F136 I142D135-K138 WeakPolarHBondContact O-CB 3.4Å; D135-K138 PolarHBondContact O-N 3.45Å; F136-K138 VanDerWaalsContact C-N 3.25Å; F136-K138 PolarHBondContact O-N 3.35Å; K138-I142 WeakPolarHBondContact O-CG1 3.26Å; K138-I142 PolarHBondContact O-N 3.27Å
139Y62.9Low69.4Low130 Ų130106.4 Ų106.451%0.5153%0.526SS..Hα-helixtrans-74.2-35.1177.5-63.8-57000112.8D135 F136 N141 I142D135-Y139 HydrophobicContact CB-CD2 4.12Å; D135-Y139 HydrophobicContact CB-CE2 3.6Å; D135-Y139 WeakPolarHBondContact O-CD2 3.25Å; D135-Y139 PolarHBondContact O-N 3.5Å; F136-Y139 PolarHBondContact O-N 2.94Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; Y139-N141 PolarHBondContact O-N 2.89Å; Y139-I142 HydrophobicContact CD1-CD1 3.72Å; Y139-I142 HydrophobicContact CE1-CD1 4.49Å; Y139-I142 PolarHBondContact O-N 3.09Å
140M64.3Low68.6Low134 Ų134107.2 Ų107.266%0.6654%0.537SS*.Hα-helixtrans-65.9-32.2174.2-101-166149.700112.6F136F136-M140 HydrophobicContact CD1-CG 4.36Å; F136-M140 HydrophobicContact CD1-SD 4.09Å; F136-M140 HydrophobicContact CE1-CE 3.98Å; F136-M140 HydrophobicContact CE1-CG 3.89Å; F136-M140 HydrophobicContact CE1-SD 3.38Å; F136-M140 WeakPolarHBondContact CE1-SD 3.44Å; F136-M140 HydrophobicContact CZ-CE 4.12Å; F136-M140 HydrophobicContact CZ-CG 4.19Å; F136-M140 HydrophobicContact CZ-SD 4.02Å; F136-M140 WeakPolarHBondContact O-CB 3.2Å; F136-M140 PolarHBondContact O-N 3.33Å
141N63.7Low67.7Low135 Ų135116.9 Ų116.972%0.72258%0.578SS**THydrogen-bonded Turntrans-90.26.7178-69.5-41000113.8D137 Y139 S143D137-N141 VanDerWaalsContact O-CB 3.26Å; D137-N141 WeakPolarHBondContact O-CB 3.46Å; D137-N141 VanDerWaalsContact O-CG 3.27Å; D137-N141 PolarHBondContact O-N 3Å; D137-N141 PolarHBondContact O-ND2 3.23Å; Y139-N141 VanDerWaalsContact C-N 3.3Å; Y139-N141 PolarHBondContact O-N 2.89Å; N141-S143 PolarHBondContact O-N 2.92Å
142I64.1Low67Low100 Ų100121.2 Ų121.251%0.51360%0.597SS.*SBendtrans-73.3121169.6-58.9-178.9000107.1K138 Y139 D144K138-I142 WeakPolarHBondContact O-CG1 3.26Å; K138-I142 PolarHBondContact O-N 3.27Å; Y139-I142 HydrophobicContact CD1-CD1 3.72Å; Y139-I142 HydrophobicContact CE1-CD1 4.49Å; Y139-I142 PolarHBondContact O-N 3.09Å; I142-D144 PolarHBondContact O-N 3.18Å
143S58.9Low66.3Low84 Ų84125.3 Ų125.359%0.58763%0.625SS**  trans-59.1126.8174.359.30000110.4N141 E145N141-S143 PolarHBondContact O-N 2.92Å; S143-E145 PolarHBondContact O-N 3.29Å; S143-E145 PolarHBondContact OG-O 3.22Å
144D67.5Low65.8Low176 Ų176129.8 Ų129.894%0.94165%0.645SS**SBendtrans-62.8-18.5172.9-74.1-36.1000112.1I142 W146I142-D144 PolarHBondContact O-N 3.18Å; D144-W146 PolarHBondContact O-N 3.32Å
145E62.8Low65.5Low151 Ų151135.4 Ų135.471%0.70667%0.666SS**SBendtrans-84.2110174.2-62.7-168.1166.300110.6S143 E147S143-E145 PolarHBondContact O-N 3.29Å; S143-E145 PolarHBondContact OG-O 3.22Å; E145-E147 PolarHBondContact O-N 3.33Å
146W59.8Low65.5Low224 Ų224139.8 Ų139.885%0.84869%0.69SS**  trans-69.399.2168.8174.1-91.8000109.5D144D144-W146 PolarHBondContact O-N 3.32Å
147E61.2Low65.3Low158 Ų158138.5 Ų138.574%0.73868%0.684SS**PPolyproline II helixtrans-79.1121166.7-69.2-168.7157.300109.6E145E145-E147 PolarHBondContact O-N 3.33Å
148A66.3Low65.6Low76 Ų76136.1 Ų136.163%0.62868%0.681SS**PPolyproline II helixtrans-60.3124.8172.500000108.1E150A148-E150 PolarHBondContact O-N 3.48Å
149P69.6Low66.2Low107 Ų107132.5 Ų132.570%0.69567%0.668SS**PPolyproline II helixtrans-54.8132.8-176.719-30.7000109.9K151P149-K151 PolarHBondContact O-N 3.06Å
150E65.9Low66.8Low185 Ų185127.8 Ų127.886%0.86465%0.651SS**PPolyproline II helixtrans-54.9132.5178.4-70.6-166.415300109.8A148 Q152A148-E150 PolarHBondContact O-N 3.48Å; E150-Q152 PolarHBondContact O-N 3.14Å; E150-Q152 VanDerWaalsContact O-N 3.09Å
151K67.6Low67.6Low203 Ų203126.2 Ų126.288%0.88364%0.638SS**PPolyproline II helixtrans-59.3121.7176.5-71.9179.2-177.4171.70107.6P149P149-K151 PolarHBondContact O-N 3.06Å
152Q67.3Low68.4Low149 Ų149123.6 Ų123.670%0.69662%0.621SS**PPolyproline II helixtrans-48.6133.1176.8-70.7-176.4-8.800110E150 F154E150-Q152 PolarHBondContact O-N 3.14Å; E150-Q152 VanDerWaalsContact O-N 3.09Å; Q152-F154 PolarHBondContact O-N 3.16Å
153P70.4Confident69.2Low117 Ų117119.5 Ų119.576%0.7660%0.599SS**PPolyproline II helixtrans-58.1133179.622-31.4000109.5K155P153-K155 PolarHBondContact O-N 2.77Å; P153-K155 VanDerWaalsContact O-N 3.07Å
154F68.6Low70.3Confident179 Ų179118.3 Ų118.379%0.78559%0.585SS**  trans-61114.2-178.7178.1-98.9000109.6Q152 D156Q152-F154 PolarHBondContact O-N 3.16Å; F154-D156 HydrophobicContact CD1-CB 4.36Å; F154-D156 HydrophobicContact CE1-CB 3.95Å; F154-D156 PolarHBondContact O-N 3.28Å
155K66.9Low71Confident153 Ų153116.4 Ų116.467%0.66557%0.571SS**  trans-80.2111.7169.1-70.7-177.5-178.5177.70108P153 F157P153-K155 PolarHBondContact O-N 2.77Å; P153-K155 VanDerWaalsContact O-N 3.07Å; K155-F157 HydrophobicContact CB-CD2 4.41Å; K155-F157 HydrophobicContact CB-CE1 4.33Å; K155-F157 HydrophobicContact CB-CE2 3.78Å; K155-F157 HydrophobicContact CB-CZ 3.74Å; K155-F157 HydrophobicContact CD-CZ 4.21Å; K155-F157 WeakPolarHBondContact O-CD2 3.29Å; K155-F157 WeakPolarHBondContact O-CE2 3.39Å; K155-F157 PolarHBondContact O-N 2.73Å
156D69.1Low71.8Confident126 Ų126111.6 Ų111.667%0.67455%0.55SS**  trans-72108.1171.6-172.36.1000109.3F154 G158F154-D156 HydrophobicContact CD1-CB 4.36Å; F154-D156 HydrophobicContact CE1-CB 3.95Å; F154-D156 PolarHBondContact O-N 3.28Å; D156-G158 PolarHBondContact O-N 2.73Å; D156-G158 WeakPolarHBondContact OD1-CA 3.26Å; D156-G158 PolarHBondContact OD1-N 2.95Å
157F64.6Low72.5Confident93 Ų93105.4 Ų105.441%0.40854%0.541SS..  trans-85.25.7176-64.3-76.5000112.4K155 M160 I235K155-F157 HydrophobicContact CB-CD2 4.41Å; K155-F157 HydrophobicContact CB-CE1 4.33Å; K155-F157 HydrophobicContact CB-CE2 3.78Å; K155-F157 HydrophobicContact CB-CZ 3.74Å; K155-F157 HydrophobicContact CD-CZ 4.21Å; K155-F157 WeakPolarHBondContact O-CD2 3.29Å; K155-F157 WeakPolarHBondContact O-CE2 3.39Å; K155-F157 PolarHBondContact O-N 2.73Å; F157-M160 HydrophobicContact CB-SD 4.02Å; F157-I235 HydrophobicContact CD1-CG1 4.1Å; F157-I235 HydrophobicContact CD1-CG2 4.1Å; F157-I235 HydrophobicContact CD2-CG2 4.25Å; F157-I235 HydrophobicContact CE1-CB 4.4Å; F157-I235 HydrophobicContact CE1-CG1 4.45Å; F157-I235 HydrophobicContact CE1-CG2 3.84Å; F157-I235 HydrophobicContact CE2-CG2 4Å; F157-I235 HydrophobicContact CG-CG1 4.49Å; F157-I235 HydrophobicContact CG-CG2 4.3Å; F157-I235 HydrophobicContact CZ-CG2 3.79Å
158G71.9Confident73Confident40 Ų40101.6 Ų101.641%0.41253%0.526SS..  trans79.3-166-176.300000112.6D156 M160D156-G158 PolarHBondContact O-N 2.73Å; D156-G158 WeakPolarHBondContact OD1-CA 3.26Å; D156-G158 PolarHBondContact OD1-N 2.95Å; G158-M160 PolarHBondContact O-N 3.05Å
159N76.6Confident73.4Confident63 Ų63100.6 Ų100.634%0.33751%0.514SS..  trans-73.595.9-178.6-167.9-7000111.5R161 H162 E165N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 VanDerWaalsContact O-N 3.11Å; N159-R161 WeakPolarHBondContact OD1-CA 3.31Å; N159-R161 PolarHBondContact OD1-N 3.29Å; N159-H162 HydrophobicContact CB-CB 4.18Å; N159-H162 PolarHBondContact O-N 3.09Å; N159-H162 PolarHBondContact OD1-N 3.24Å; N159-E165 PolarHBondContact ND2-OE1 3.27Å; N159-E165 PolarHBondContact ND2-OE2 2.73Å; N159-E165 VanDerWaalsContact ND2-OE2 3.09Å
160M75.8Confident73.9Confident31 Ų3198.7 Ų98.715%0.15349%0.493CS..THydrogen-bonded Turntrans-69.31.7175.5-65.4-65.7-6400113.9F157 G158 W163 T214 Y215 G229 I235F157-M160 HydrophobicContact CB-SD 4.02Å; G158-M160 PolarHBondContact O-N 3.05Å; M160-W163 WeakPolarHBondContact O-CH2 3.45Å; M160-W163 WeakPolarHBondContact O-CZ3 3.3Å; M160-T214 HydrophobicContact CB-CG2 4.07Å; M160-T214 HydrophobicContact CE-CG2 3.59Å; M160-T214 WeakPolarHBondContact CE-O 3.5Å; M160-Y215 HydrophobicContact CE-CD1 3.71Å; M160-Y215 HydrophobicContact CE-CE1 3.36Å; M160-G229 PolarHBondContact SD-N 2.83Å; M160-I235 HydrophobicContact CE-CD1 3.3Å; M160-I235 HydrophobicContact SD-CD1 3.62Å
161R80.2Confident74.8Confident101 Ų10190.1 Ų90.138%0.38145%0.453SS..THydrogen-bonded Turntrans-132.919.5178.9-68.1-172.6-176.91726.4113.3N159 W163 I164N159-R161 PolarHBondContact O-N 3.15Å; N159-R161 VanDerWaalsContact O-N 3.11Å; N159-R161 WeakPolarHBondContact OD1-CA 3.31Å; N159-R161 PolarHBondContact OD1-N 3.29Å; R161-W163 HydrophobicContact CB-CH2 4.47Å; R161-W163 HydrophobicContact CB-CZ3 4.45Å; R161-W163 HydrophobicContact CG-CH2 4.17Å; R161-W163 PolarHBondContact O-N 3.28Å; R161-W163 VanDerWaalsContact O-N 3.1Å; R161-I164 HydrophobicContact CB-CD1 4.14Å; R161-I164 HydrophobicContact CG-CD1 4.42Å; R161-I164 WeakPolarHBondContact O-CB 3.29Å; R161-I164 PolarHBondContact O-N 2.99Å
162H82.2Confident75.9Confident79 Ų7981.6 Ų81.637%0.36642%0.416SS..G310 helixtrans-51.3-37.8-174.3178.5-107.8000114.3N159 I164 E165 E230N159-H162 HydrophobicContact CB-CB 4.18Å; N159-H162 PolarHBondContact O-N 3.09Å; N159-H162 PolarHBondContact OD1-N 3.24Å; H162-I164 PolarHBondContact O-N 3.21Å; H162-I164 VanDerWaalsContact O-N 3.07Å; H162-E165 WeakPolarHBondContact O-CB 3.43Å; H162-E165 PolarHBondContact O-N 3.31Å; H162-E230 IonicContact CE1-OE1 2.83Å
163W80.6Confident77.1Confident15 Ų1574.6 Ų74.66%0.05738%0.383CS..G310 helixtrans-63.1-18.7-179.572.598.2000113.8M160 R161 E165 Q172 G213M160-W163 WeakPolarHBondContact O-CH2 3.45Å; M160-W163 WeakPolarHBondContact O-CZ3 3.3Å; R161-W163 HydrophobicContact CB-CH2 4.47Å; R161-W163 HydrophobicContact CB-CZ3 4.45Å; R161-W163 HydrophobicContact CG-CH2 4.17Å; R161-W163 PolarHBondContact O-N 3.28Å; R161-W163 VanDerWaalsContact O-N 3.1Å; W163-E165 VanDerWaalsContact C-N 3.31Å; W163-Q172 HydrophobicContact CB-CG 4.43Å; W163-G213 WeakPolarHBondContact CH2-O 3.45Å
164I82.1Confident78.1Confident58 Ų5869 Ų6930%0.29735%0.347SS..G310 helixtrans-77-23.7176.4-57.4179.3000111.1R161 H162 D166 P575R161-I164 HydrophobicContact CB-CD1 4.14Å; R161-I164 HydrophobicContact CG-CD1 4.42Å; R161-I164 WeakPolarHBondContact O-CB 3.29Å; R161-I164 PolarHBondContact O-N 2.99Å; H162-I164 PolarHBondContact O-N 3.21Å; H162-I164 VanDerWaalsContact O-N 3.07Å; I164-D166 VanDerWaalsContact C-N 3.27Å; I164-P575 HydrophobicContact CD1-CG 3.3Å
165E81.1Confident79.3Confident136 Ų13660.5 Ų60.564%0.63631%0.31SS*.G310 helixtrans-81.1-6.8179.4-64.9174.3-176.800112.9N159 H162 W163 S167N159-E165 PolarHBondContact ND2-OE1 3.27Å; N159-E165 PolarHBondContact ND2-OE2 2.73Å; N159-E165 VanDerWaalsContact ND2-OE2 3.09Å; H162-E165 WeakPolarHBondContact O-CB 3.43Å; H162-E165 PolarHBondContact O-N 3.31Å; W163-E165 VanDerWaalsContact C-N 3.31Å; E165-S167 PolarHBondContact O-N 2.8Å
166D79.4Confident80.5Confident50 Ų5053.2 Ų53.227%0.26728%0.278SS..  trans-58.1122176.3-171.5-14000110.6I164 D168 C169 R170I164-D166 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D166-C169 PolarHBondContact O-N 2.95Å; D166-R170 WeakPolarHBondContact OD2-CB 3.27Å
167S74.4Confident81.4Confident94 Ų9448 Ų4866%0.65725%0.249SC*.THydrogen-bonded Turntrans-61.7-24.9-17857.70000113.7E165E165-S167 PolarHBondContact O-N 2.8Å
168D71.4Confident82.4Confident78 Ų7845.5 Ų45.542%0.41724%0.239SC..THydrogen-bonded Turntrans-94.42178.9-69.9-18.4000112.5D166 R170D166-D168 PolarHBondContact O-N 3.48Å; D166-D168 PolarHBondContact OD1-N 3.42Å; D168-R170 VanDerWaalsContact C-N 3.26Å; D168-R170 HydrophobicContact CB-CG 3.91Å; D168-R170 PolarHBondContact O-N 3.01Å; D168-R170 IonicContact OD2-CZ 2.87Å; D168-R170 IonicContact OD2-NE 3.88Å; D168-R170 IonicContact OD2-NH2 3.93Å; D168-R170 PolarHBondContact OD2-NH2 3.35Å
169C75.6Confident82.8Confident56 Ų5645.5 Ų45.538%0.37824%0.235SC..  trans53.439.4179.8-660000113.1D166 D171D166-C169 PolarHBondContact O-N 2.95Å; C169-D171 PolarHBondContact O-N 3.05Å
170R81Confident82.7Confident66 Ų6642.9 Ų42.925%0.24922%0.223CC..PPolyproline II helixtrans-74.7117.9-178-59.4177.3-169.9178.33.1110.2D166 D168 N188D166-R170 WeakPolarHBondContact OD2-CB 3.27Å; D168-R170 VanDerWaalsContact C-N 3.26Å; D168-R170 HydrophobicContact CB-CG 3.91Å; D168-R170 PolarHBondContact O-N 3.01Å; D168-R170 IonicContact OD2-CZ 2.87Å; D168-R170 IonicContact OD2-NE 3.88Å; D168-R170 IonicContact OD2-NH2 3.93Å; D168-R170 PolarHBondContact OD2-NH2 3.35Å; R170-N188 WeakPolarHBondContact CB-O 3.42Å; R170-N188 WeakPolarHBondContact CG-O 3.45Å
171D85Confident83.2Confident6 Ų646 Ų463%0.03224%0.237CC..PPolyproline II helixtrans-75.9144.5176.5-66-63.3000110.9C169 N188 D527 T529 W571 R574C169-D171 PolarHBondContact O-N 3.05Å; D171-N188 WeakPolarHBondContact O-CB 3.3Å; D171-N188 PolarHBondContact O-N 3.47Å; D171-D527 VanDerWaalsContact CG-OD1 3.3Å; D171-T529 WeakPolarHBondContact OD2-CG2 3.18Å; D171-W571 HydrophobicContact CB-CE3 4.11Å; D171-W571 HydrophobicContact CB-CZ3 3.92Å; D171-R574 VanDerWaalsContact OD1-CD 3.29Å; D171-R574 WeakPolarHBondContact OD1-CD 3.35Å; D171-R574 IonicContact OD1-CZ 3.63Å; D171-R574 IonicContact OD1-NE 3.41Å; D171-R574 IonicContact OD1-NH1 2.69Å; D171-R574 PolarHBondContact OD1-NH1 2.93Å; D171-R574 IonicContact OD2-NH1 3.53Å
172Q89.3Confident83.7Confident23 Ų2345.6 Ų45.611%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-100150.3179-69.8-175.1-26.800110.8W163 I185 F186 S187 R572W163-Q172 HydrophobicContact CB-CG 4.43Å; Q172-I185 HydrophobicContact CB-CG2 4.35Å; Q172-F186 CarbonylContact C-O 3.52Å; Q172-F186 VanDerWaalsContact CA-O 3.25Å; Q172-F186 WeakPolarHBondContact CA-O 3.39Å; Q172-S187 PolarHBondContact NE2-OG 3.33Å; Q172-R572 HydrophobicContact CB-CB 4.06Å; Q172-R572 WeakPolarHBondContact O-CB 3.34Å; Q172-R572 PolarHBondContact O-N 2.92Å
173Y92.4Very high84.2Confident3 Ų341.8 Ų41.81%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-142.5149.1172.160.6-86.2000110.3V175 I185 F186 N188 P193 Y548 L569 L570 W571Y173-V175 HydrophobicContact CD2-CG2 3.53Å; Y173-V175 HydrophobicContact CE2-CG2 3.46Å; Y173-V175 VanDerWaalsContact CE2-CG2 3.46Å; Y173-I185 WeakPolarHBondContact O-CA 3.36Å; Y173-F186 HydrophobicContact CD1-CB 4.3Å; Y173-F186 HydrophobicContact CD2-CB 4.27Å; Y173-F186 HydrophobicContact CE1-CB 3.78Å; Y173-F186 HydrophobicContact CE2-CB 3.75Å; Y173-F186 AromaticContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CG 4.18Å; Y173-F186 VanDerWaalsContact CZ-CB 3.49Å; Y173-F186 PolarHBondContact N-O 3.27Å; Y173-F186 PolarHBondContact O-N 3.32Å; Y173-N188 HydrophobicContact CD1-CB 4.4Å; Y173-N188 HydrophobicContact CE1-CB 4.17Å; Y173-P193 WeakPolarHBondContact OH-CB 3.43Å; Y173-Y548 HydrophobicContact CE2-CE2 4.05Å; Y173-Y548 PolarHBondContact OH-OH 2.88Å; Y173-L569 HydrophobicContact CD2-CD1 3.68Å; Y173-L569 HydrophobicContact CD2-CD2 4.29Å; Y173-L569 HydrophobicContact CD2-CG 3.79Å; Y173-L569 HydrophobicContact CE2-CD1 3.76Å; Y173-L569 HydrophobicContact CE2-CG 4.38Å; Y173-L570 CarbonylContact C-O 3.59Å; Y173-L570 VanDerWaalsContact CA-O 3.31Å; Y173-L570 WeakPolarHBondContact CA-O 3.33Å; Y173-L570 WeakPolarHBondContact CB-O 3.48Å; Y173-W571 HydrophobicContact CD1-CE3 4.04Å; Y173-W571 AromaticContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CZ2 4.49Å; Y173-W571 AromaticContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CD1-CZ3 3.45Å; Y173-W571 VanDerWaalsContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CE1-CH2 4.15Å; Y173-W571 HydrophobicContact CE1-CZ3 4.27Å; Y173-W571 HydrophobicContact CG-CE3 4.29Å; Y173-W571 HydrophobicContact CG-CH2 4.4Å; Y173-W571 HydrophobicContact CG-CZ3 4.12Å
174S92.8Very high84.7Confident0 Ų041.1 Ų41.10%022%0.215CC..EExtended strand (participates in β ladder)trans-95139175.355.80000110A184 W209 L569 L570S174-A184 CarbonylContact C-O 3.57Å; S174-A184 WeakPolarHBondContact CA-O 3.37Å; S174-W209 PolarHBondContact OG-NE1 3.08Å; S174-L569 VanDerWaalsContact O-CA 3.29Å; S174-L569 WeakPolarHBondContact O-CA 3.36Å; S174-L570 PolarHBondContact N-O 2.94Å; S174-L570 PolarHBondContact O-N 3Å; S174-L570 PolarHBondContact OG-O 2.87Å
175V92.3Very high85.2Confident0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-127.6130.4174.4178.40000109.6Y173 Y177 A184 F186 Y548 F566 Q568 L569Y173-V175 HydrophobicContact CD2-CG2 3.53Å; Y173-V175 HydrophobicContact CE2-CG2 3.46Å; Y173-V175 VanDerWaalsContact CE2-CG2 3.46Å; V175-Y177 HydrophobicContact CG1-CD1 4.1Å; V175-A184 PolarHBondContact N-O 3.41Å; V175-A184 PolarHBondContact O-N 3.07Å; V175-F186 HydrophobicContact CB-CD2 4.03Å; V175-F186 HydrophobicContact CB-CE2 3.86Å; V175-F186 HydrophobicContact CG2-CD2 3.69Å; V175-F186 HydrophobicContact CG2-CE2 3.95Å; V175-Y548 HydrophobicContact CG1-CE1 4.36Å; V175-Y548 HydrophobicContact CG2-CE1 4.27Å; V175-F566 HydrophobicContact CG1-CD2 3.84Å; V175-F566 HydrophobicContact CG1-CE2 3.76Å; V175-Q568 WeakPolarHBondContact CA-O 3.22Å; V175-L569 HydrophobicContact CG2-CB 4.44Å; V175-L569 HydrophobicContact CG2-CD1 3.89Å; V175-L569 HydrophobicContact CG2-CG 4.06Å
176I92.3Very high85.7Confident0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-105.4125.6169.6-56.4176.9000108T183 T203 V207 C567 Q568I176-T183 HydrophobicContact CG1-CG2 4.24Å; I176-T203 HydrophobicContact CD1-CG2 3.85Å; I176-V207 HydrophobicContact CD1-CB 3.95Å; I176-V207 HydrophobicContact CD1-CG1 3.81Å; I176-V207 HydrophobicContact CG1-CG1 4.14Å; I176-C567 HydrophobicContact CB-CB 4.01Å; I176-C567 HydrophobicContact CG2-CB 3.81Å; I176-C567 PolarHBondContact O-N 2.86Å; I176-Q568 HydrophobicContact CD1-CB 4.32Å; I176-Q568 PolarHBondContact N-O 2.98Å
177Y88.5Confident86.1Confident16 Ų1630.8 Ų30.86%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-142.8174179.966.8-79.4000110.9V175 A179 G180 R182 A184 E198 K563V175-Y177 HydrophobicContact CG1-CD1 4.1Å; Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.11Å; Y177-G180 PolarHBondContact O-N 2.86Å; Y177-R182 HydrophobicContact CD1-CB 4.26Å; Y177-R182 HydrophobicContact CD2-CB 4.46Å; Y177-R182 HydrophobicContact CE1-CB 3.89Å; Y177-R182 HydrophobicContact CE2-CB 4.1Å; Y177-R182 PolarHBondContact N-O 3.38Å; Y177-R182 VanDerWaalsContact N-O 3.13Å; Y177-R182 PolarHBondContact O-N 3.02Å; Y177-A184 HydrophobicContact CE1-CB 3.82Å; Y177-E198 PolarHBondContact OH-OE1 3.41Å; Y177-E198 PolarHBondContact OH-OE2 3.46Å; Y177-K563 HydrophobicContact CD2-CD 4.35Å; Y177-K563 HydrophobicContact CG-CD 4.45Å
178E86.4Confident86.6Confident40 Ų4026.7 Ų26.719%0.18714%0.136CC..G310 helixtrans55.942.3-169.8-69.1174.4-16800112.5G180 E181 R182 D564E178-G180 PolarHBondContact O-N 2.76Å; E178-E181 HydrophobicContact CB-CB 3.95Å; E178-E181 WeakPolarHBondContact O-CB 3.48Å; E178-E181 WeakPolarHBondContact O-CG 3.4Å; E178-E181 PolarHBondContact O-N 2.86Å; E178-E181 VanDerWaalsContact O-N 3.1Å; E178-R182 VanDerWaalsContact CD-NE 3.33Å; E178-R182 IonicContact OE1-CZ 3.79Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.45Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 WeakPolarHBondContact OE2-CD 3.19Å; E178-R182 WeakPolarHBondContact OE2-CG 3.34Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NE 3.68Å; E178-R182 PolarHBondContact OE2-NE 2.86Å; E178-R182 IonicContact OE2-NH2 3.57Å; E178-D564 PolarHBondContact N-O 2.86Å
179A78.5Confident87.1Confident40 Ų4025 Ų2533%0.33113%0.127SC..G310 helixtrans57.629.3179.900000114.9Y177 R565Y177-A179 VanDerWaalsContact C-N 3.31Å; Y177-A179 PolarHBondContact O-N 3.11Å; A179-R565 HydrophobicContact CB-CB 4.12Å; A179-R565 PolarHBondContact N-O 3.03Å; A179-R565 VanDerWaalsContact N-O 3.13Å
180G76.5Confident86.8Confident9 Ų924.5 Ų24.59%0.09313%0.128CC..G310 helixtrans95.2-3.4-179.100000114.2Y177 E178 R182Y177-G180 PolarHBondContact O-N 2.86Å; E178-G180 PolarHBondContact O-N 2.76Å; G180-R182 PolarHBondContact O-N 3.34Å
181E85.6Confident86.4Confident95 Ų9524.8 Ų24.844%0.44413%0.131SC..THydrogen-bonded Turntrans-64.7-28.5174.8-70.5177.5-136.600112.1E178 A200 R201 R565E178-E181 HydrophobicContact CB-CB 3.95Å; E178-E181 WeakPolarHBondContact O-CB 3.48Å; E178-E181 WeakPolarHBondContact O-CG 3.4Å; E178-E181 PolarHBondContact O-N 2.86Å; E178-E181 VanDerWaalsContact O-N 3.1Å; E181-A200 CarbonylContact O-C 3.55Å; E181-A200 VanDerWaalsContact O-CA 3.28Å; E181-A200 WeakPolarHBondContact O-CA 3.29Å; E181-R201 PolarHBondContact O-N 3.23Å; E181-R565 IonicContact OE1-CZ 3.39Å; E181-R565 IonicContact OE1-NH1 3.52Å; E181-R565 IonicContact OE1-NH2 3.1Å; E181-R565 PolarHBondContact OE1-NH2 3.34Å
182R90.2Very high86Confident93 Ų9329.9 Ų29.935%0.35116%0.158SC..EExtended strand (participates in β ladder)trans-130.2135.8178.5-62-178.2-172.1-148.613111.8Y177 E178 G180 E198Y177-R182 HydrophobicContact CD1-CB 4.26Å; Y177-R182 HydrophobicContact CD2-CB 4.46Å; Y177-R182 HydrophobicContact CE1-CB 3.89Å; Y177-R182 HydrophobicContact CE2-CB 4.1Å; Y177-R182 PolarHBondContact N-O 3.38Å; Y177-R182 VanDerWaalsContact N-O 3.13Å; Y177-R182 PolarHBondContact O-N 3.02Å; E178-R182 VanDerWaalsContact CD-NE 3.33Å; E178-R182 IonicContact OE1-CZ 3.79Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.45Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 WeakPolarHBondContact OE2-CD 3.19Å; E178-R182 WeakPolarHBondContact OE2-CG 3.34Å; E178-R182 IonicContact OE2-CZ 2.8Å; E178-R182 IonicContact OE2-NE 3.68Å; E178-R182 PolarHBondContact OE2-NE 2.86Å; E178-R182 IonicContact OE2-NH2 3.57Å; G180-R182 PolarHBondContact O-N 3.34Å; R182-E198 WeakPolarHBondContact CD-OE1 3.26Å; R182-E198 IonicContact CZ-OE1 2.91Å; R182-E198 IonicContact NE-OE1 3.65Å; R182-E198 IonicContact NH1-OE1 3.65Å; R182-E198 PolarHBondContact NH1-OE1 2.84Å
183T92.5Very high85.6Confident0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-121123.9167.7-53.30000108.1I176 R199 W202I176-T183 HydrophobicContact CG1-CG2 4.24Å; T183-R199 PolarHBondContact N-O 3.38Å; T183-R199 VanDerWaalsContact N-O 3.09Å; T183-R199 PolarHBondContact O-N 2.86Å; T183-W202 HydrophobicContact CG2-CE3 4.08Å
184A91.8Very high85.3Confident0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-121.7149.317900000110.8S174 V175 Y177 F186 L195 E197 E198S174-A184 CarbonylContact C-O 3.57Å; S174-A184 WeakPolarHBondContact CA-O 3.37Å; V175-A184 PolarHBondContact N-O 3.41Å; V175-A184 PolarHBondContact O-N 3.07Å; Y177-A184 HydrophobicContact CE1-CB 3.82Å; A184-F186 HydrophobicContact CB-CD2 4.17Å; A184-F186 HydrophobicContact CB-CE2 3.46Å; A184-F186 VanDerWaalsContact CB-CE2 3.46Å; A184-F186 HydrophobicContact CB-CZ 3.71Å; A184-L195 HydrophobicContact CB-CD1 3.72Å; A184-E197 CarbonylContact C-O 3.58Å; A184-E197 VanDerWaalsContact CA-O 3.3Å; A184-E197 WeakPolarHBondContact CA-O 3.44Å; A184-E198 HydrophobicContact CB-CB 4.35Å; A184-E198 HydrophobicContact CB-CG 4.22Å
185I92.4Very high85.1Confident0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-114120.4172.4-58.1175.7000106.3Q172 Y173 A196 E197 W202 W209 L216 F232Q172-I185 HydrophobicContact CB-CG2 4.35Å; Y173-I185 WeakPolarHBondContact O-CA 3.36Å; I185-A196 HydrophobicContact CG2-CB 4.5Å; I185-A196 WeakPolarHBondContact O-CB 3.3Å; I185-A196 PolarHBondContact O-N 2.87Å; I185-E197 PolarHBondContact N-O 2.86Å; I185-E197 PolarHBondContact O-N 3.34Å; I185-W202 HydrophobicContact CD1-CH2 3.61Å; I185-W202 HydrophobicContact CD1-CZ3 3.71Å; I185-W202 HydrophobicContact CG1-CH2 4.48Å; I185-W202 HydrophobicContact CG1-CZ3 4.09Å; I185-W209 HydrophobicContact CD1-CH2 4.14Å; I185-W209 HydrophobicContact CD1-CZ2 4.46Å; I185-L216 HydrophobicContact CD1-CD2 3.97Å; I185-F232 HydrophobicContact CD1-CD1 3.76Å; I185-F232 HydrophobicContact CD1-CD2 3.64Å; I185-F232 HydrophobicContact CD1-CE1 3.49Å; I185-F232 VanDerWaalsContact CD1-CE1 3.49Å; I185-F232 HydrophobicContact CD1-CE2 3.36Å; I185-F232 HydrophobicContact CD1-CG 3.84Å; I185-F232 HydrophobicContact CD1-CZ 3.28Å; I185-F232 HydrophobicContact CG2-CE2 4.26Å; I185-F232 HydrophobicContact CG2-CZ 4.19Å
186F91.3Very high84.8Confident12 Ų1239.2 Ų39.25%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-108.3141.2179.6-66.4-79.8000109.7Q172 Y173 V175 A184 P193 I194 L195Q172-F186 CarbonylContact C-O 3.52Å; Q172-F186 VanDerWaalsContact CA-O 3.25Å; Q172-F186 WeakPolarHBondContact CA-O 3.39Å; Y173-F186 HydrophobicContact CD1-CB 4.3Å; Y173-F186 HydrophobicContact CD2-CB 4.27Å; Y173-F186 HydrophobicContact CE1-CB 3.78Å; Y173-F186 HydrophobicContact CE2-CB 3.75Å; Y173-F186 AromaticContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CD2 3.96Å; Y173-F186 HydrophobicContact CE2-CG 4.18Å; Y173-F186 VanDerWaalsContact CZ-CB 3.49Å; Y173-F186 PolarHBondContact N-O 3.27Å; Y173-F186 PolarHBondContact O-N 3.32Å; V175-F186 HydrophobicContact CB-CD2 4.03Å; V175-F186 HydrophobicContact CB-CE2 3.86Å; V175-F186 HydrophobicContact CG2-CD2 3.69Å; V175-F186 HydrophobicContact CG2-CE2 3.95Å; A184-F186 HydrophobicContact CB-CD2 4.17Å; A184-F186 HydrophobicContact CB-CE2 3.46Å; A184-F186 VanDerWaalsContact CB-CE2 3.46Å; A184-F186 HydrophobicContact CB-CZ 3.71Å; F186-P193 HydrophobicContact CB-CB 4.27Å; F186-P193 HydrophobicContact CD1-CB 4.02Å; F186-P193 HydrophobicContact CG-CB 4.32Å; F186-I194 CarbonylContact C-O 3.57Å; F186-I194 VanDerWaalsContact CA-O 3.31Å; F186-I194 WeakPolarHBondContact CA-O 3.35Å; F186-L195 HydrophobicContact CD1-CB 4.29Å; F186-L195 HydrophobicContact CD1-CD1 3.99Å; F186-L195 HydrophobicContact CE1-CB 4.06Å; F186-L195 HydrophobicContact CE1-CD1 3.46Å; F186-L195 VanDerWaalsContact CE1-CD1 3.46Å; F186-L195 HydrophobicContact CE1-CG 4.38Å; F186-L195 HydrophobicContact CZ-CD1 3.78Å
187S89Confident84.7Confident16 Ų1641 Ų4111%0.11222%0.224CC..EExtended strand (participates in β ladder)trans-91131.1163.4-650000108.7Q172 D189 I194Q172-S187 PolarHBondContact NE2-OG 3.33Å; S187-D189 PolarHBondContact O-N 3.4Å; S187-I194 PolarHBondContact N-O 3.05Å; S187-I194 PolarHBondContact O-N 2.88Å
188N84.6Confident84.8Confident7 Ų743.5 Ų43.54%0.03724%0.236CC..  trans-72.9117-179.6-175.324.3000110.4R170 D171 Y173 Y532 L550 W571R170-N188 WeakPolarHBondContact CB-O 3.42Å; R170-N188 WeakPolarHBondContact CG-O 3.45Å; D171-N188 WeakPolarHBondContact O-CB 3.3Å; D171-N188 PolarHBondContact O-N 3.47Å; Y173-N188 HydrophobicContact CD1-CB 4.4Å; Y173-N188 HydrophobicContact CE1-CB 4.17Å; N188-Y532 WeakPolarHBondContact ND2-CD2 3.49Å; N188-Y532 WeakPolarHBondContact ND2-CE2 3.49Å; N188-L550 WeakPolarHBondContact OD1-CD2 3.25Å; N188-W571 HydrophobicContact CB-CH2 3.86Å; N188-W571 HydrophobicContact CB-CZ3 3.84Å
189D80.9Confident85Confident42 Ų4245 Ų4523%0.22524%0.24CC..  trans-125.9150.8167.1-175.323000108.6S187 K191 I194 Q559S187-D189 PolarHBondContact O-N 3.4Å; D189-K191 PolarHBondContact O-N 3.01Å; D189-I194 HydrophobicContact CB-CD1 4Å; D189-I194 HydrophobicContact CB-CG1 4.33Å; D189-Q559 PolarHBondContact O-NE2 2.91Å
190A69.2Low85.6Confident47 Ų4747 Ų4739%0.38826%0.256SS..SBendtrans-66.7-21.7-171.600000113.4Q559A190-Q559 PolarHBondContact O-NE2 2.95Å; A190-Q559 VanDerWaalsContact O-NE2 3.16Å
191K72.9Confident86.2Confident72 Ų7256 Ų5631%0.31329%0.287SS..SBendtrans-95.3-61-176.8-69.7-177.8174.8-175.10113D189 Q559 S605 Q606 A609D189-K191 PolarHBondContact O-N 3.01Å; K191-Q559 WeakPolarHBondContact O-CG 3.29Å; K191-Q559 PolarHBondContact O-NE2 3.36Å; K191-S605 PolarHBondContact NZ-O 2.97Å; K191-Q606 PolarHBondContact NZ-O 3.07Å; K191-A609 HydrophobicContact CD-CB 4.27Å
192D76.1Confident86.4Confident113 Ų11351.9 Ų51.960%0.60427%0.268SS*.SBendtrans-141.2143.4178.4-68.9-61.5000109.6I194D192-I194 PolarHBondContact O-N 2.8Å
193P82.1Confident86.4Confident25 Ų2547.5 Ų47.516%0.16225%0.251CS..  trans-68.6127.2177.430.6-33.7000109.9Y173 F186Y173-P193 WeakPolarHBondContact OH-CB 3.43Å; F186-P193 HydrophobicContact CB-CB 4.27Å; F186-P193 HydrophobicContact CD1-CB 4.02Å; F186-P193 HydrophobicContact CG-CB 4.32Å
194I85.9Confident86.1Confident68 Ų6852.1 Ų52.135%0.34927%0.273SS..EExtended strand (participates in β ladder)trans-87.8123.3-178.2-61.7166.9000108.2F186 S187 D189 D192 A196F186-I194 CarbonylContact C-O 3.57Å; F186-I194 VanDerWaalsContact CA-O 3.31Å; F186-I194 WeakPolarHBondContact CA-O 3.35Å; S187-I194 PolarHBondContact N-O 3.05Å; S187-I194 PolarHBondContact O-N 2.88Å; D189-I194 HydrophobicContact CB-CD1 4Å; D189-I194 HydrophobicContact CB-CG1 4.33Å; D192-I194 PolarHBondContact O-N 2.8Å; I194-A196 PolarHBondContact O-N 2.97Å
195L87.9Confident85.8Confident83 Ų8355.3 Ų55.344%0.43529%0.293SS..EExtended strand (participates in β ladder)trans-70.6115.9175.9-174.769.3000109.8A184 F186 E198A184-L195 HydrophobicContact CB-CD1 3.72Å; F186-L195 HydrophobicContact CD1-CB 4.29Å; F186-L195 HydrophobicContact CD1-CD1 3.99Å; F186-L195 HydrophobicContact CE1-CB 4.06Å; F186-L195 HydrophobicContact CE1-CD1 3.46Å; F186-L195 VanDerWaalsContact CE1-CD1 3.46Å; F186-L195 HydrophobicContact CE1-CG 4.38Å; F186-L195 HydrophobicContact CZ-CD1 3.78Å; L195-E198 HydrophobicContact CD1-CB 4.05Å; L195-E198 HydrophobicContact CD2-CB 4.04Å; L195-E198 HydrophobicContact CG-CB 4.45Å
196A86.9Confident85.6Confident46 Ų4657.5 Ų57.538%0.3830%0.301SS..EExtended strand (participates in β ladder)trans-86.7-56174.600000110.5I185 I194I185-A196 HydrophobicContact CG2-CB 4.5Å; I185-A196 WeakPolarHBondContact O-CB 3.3Å; I185-A196 PolarHBondContact O-N 2.87Å; I194-A196 PolarHBondContact O-N 2.97Å
197E89.1Confident85.7Confident37 Ų3757 Ų5717%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-143144.8174-70.5-150.9163.900111.5A184 I185 R199 K231 F232A184-E197 CarbonylContact C-O 3.58Å; A184-E197 VanDerWaalsContact CA-O 3.3Å; A184-E197 WeakPolarHBondContact CA-O 3.44Å; I185-E197 PolarHBondContact N-O 2.86Å; I185-E197 PolarHBondContact O-N 3.34Å; E197-R199 IonicContact OE1-NH2 3.79Å; E197-R199 IonicContact OE2-CZ 3.87Å; E197-R199 IonicContact OE2-NE 3.66Å; E197-R199 IonicContact OE2-NH2 2.98Å; E197-R199 PolarHBondContact OE2-NH2 3.46Å; E197-K231 WeakPolarHBondContact OE1-CA 3.35Å; E197-F232 HydrophobicContact CG-CD2 4.19Å
198E91.1Very high85.8Confident68 Ų6859.8 Ų59.832%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-133.4134.6171.9-173.5171.314200109.7Y177 R182 A184 L195Y177-E198 PolarHBondContact OH-OE1 3.41Å; Y177-E198 PolarHBondContact OH-OE2 3.46Å; R182-E198 WeakPolarHBondContact CD-OE1 3.26Å; R182-E198 IonicContact CZ-OE1 2.91Å; R182-E198 IonicContact NE-OE1 3.65Å; R182-E198 IonicContact NH1-OE1 3.65Å; R182-E198 PolarHBondContact NH1-OE1 2.84Å; A184-E198 HydrophobicContact CB-CB 4.35Å; A184-E198 HydrophobicContact CB-CG 4.22Å; L195-E198 HydrophobicContact CD1-CB 4.05Å; L195-E198 HydrophobicContact CD2-CB 4.04Å; L195-E198 HydrophobicContact CG-CB 4.45Å
199R90.9Very high86.3Confident73 Ų7360.1 Ų60.128%0.27531%0.308SS..EExtended strand (participates in β ladder)trans-137.1136.1174.4-63.8-174.8-173169.79.2110.8T183 E197 W202 K231 F232T183-R199 PolarHBondContact N-O 3.38Å; T183-R199 VanDerWaalsContact N-O 3.09Å; T183-R199 PolarHBondContact O-N 2.86Å; E197-R199 IonicContact OE1-NH2 3.79Å; E197-R199 IonicContact OE2-CZ 3.87Å; E197-R199 IonicContact OE2-NE 3.66Å; E197-R199 IonicContact OE2-NH2 2.98Å; E197-R199 PolarHBondContact OE2-NH2 3.46Å; R199-W202 HydrophobicContact CB-CB 3.97Å; R199-W202 HydrophobicContact CB-CD2 4.03Å; R199-W202 HydrophobicContact CB-CE3 3.89Å; R199-W202 HydrophobicContact CB-CG 4.08Å; R199-W202 HydrophobicContact CG-CD2 4.35Å; R199-W202 HydrophobicContact CG-CE3 4.12Å; R199-W202 HydrophobicContact CG-CZ3 4.48Å; R199-K231 PolarHBondContact NH2-O 2.88Å; R199-F232 PolarHBondContact NH1-O 2.75Å; R199-F232 PolarHBondContact NH2-O 3.39Å
200A91.1Very high86.9Confident80 Ų8058.1 Ų58.166%0.66130%0.297SS*.EExtended strand (participates in β ladder)trans-73.1134.7171.600000110.3E181 W202E181-A200 CarbonylContact O-C 3.55Å; E181-A200 VanDerWaalsContact O-CA 3.28Å; E181-A200 WeakPolarHBondContact O-CA 3.29Å; A200-W202 PolarHBondContact O-N 2.88Å
201R87.8Confident87.9Confident199 Ų19958.6 Ų58.675%0.75130%0.296SS*.THydrogen-bonded Turntrans49.341.8178.9-63.6-176.9-72.1-167.5-4.8113E181 T203E181-R201 PolarHBondContact O-N 3.23Å; R201-T203 VanDerWaalsContact C-N 3.27Å; R201-T203 PolarHBondContact O-N 3.3Å
202W90.6Very high88.7Confident8 Ų858 Ų583%0.0329%0.293CS..SBendtrans-67.9-31.8177.6-160.6-4000111.9T183 I185 R199 A200 L216 T218 H220 W227 F232T183-W202 HydrophobicContact CG2-CE3 4.08Å; I185-W202 HydrophobicContact CD1-CH2 3.61Å; I185-W202 HydrophobicContact CD1-CZ3 3.71Å; I185-W202 HydrophobicContact CG1-CH2 4.48Å; I185-W202 HydrophobicContact CG1-CZ3 4.09Å; R199-W202 HydrophobicContact CB-CB 3.97Å; R199-W202 HydrophobicContact CB-CD2 4.03Å; R199-W202 HydrophobicContact CB-CE3 3.89Å; R199-W202 HydrophobicContact CB-CG 4.08Å; R199-W202 HydrophobicContact CG-CD2 4.35Å; R199-W202 HydrophobicContact CG-CE3 4.12Å; R199-W202 HydrophobicContact CG-CZ3 4.48Å; A200-W202 PolarHBondContact O-N 2.88Å; W202-L216 HydrophobicContact CH2-CD2 3.95Å; W202-L216 HydrophobicContact CZ2-CD2 3.97Å; W202-L216 HydrophobicContact CZ3-CD2 4.38Å; W202-T218 HydrophobicContact CG-CG2 4.21Å; W202-T218 VanDerWaalsContact O-CB 3.3Å; W202-T218 WeakPolarHBondContact O-CB 3.24Å; W202-T218 WeakPolarHBondContact O-CG2 3.21Å; W202-H220 PolarHBondContact O-CE1 3.33Å; W202-H220 PolarHBondContact O-NE2 3.3Å; W202-W227 AromaticContact CD1-CE2 3.7Å; W202-W227 AromaticContact CD1-CZ2 3.69Å; W202-W227 AromaticContact CD1-NE1 3.87Å; W202-W227 AromaticContact CE2-CD2 3.98Å; W202-W227 HydrophobicContact CZ2-CB 4.11Å; W202-W227 HydrophobicContact CZ2-CD2 4.07Å; W202-W227 HydrophobicContact CZ2-CE3 4.3Å; W202-W227 AromaticContact CZ2-CG 3.98Å; W202-W227 HydrophobicContact CZ2-CG 3.98Å; W202-W227 AromaticContact NE1-CD1 3.62Å; W202-W227 AromaticContact NE1-CD2 3.23Å; W202-W227 AromaticContact NE1-CE2 3.02Å; W202-W227 AromaticContact NE1-CE3 3.78Å; W202-W227 AromaticContact NE1-CG 3.62Å; W202-W227 AromaticContact NE1-CH2 3.89Å; W202-W227 AromaticContact NE1-CZ2 3.38Å; W202-W227 AromaticContact NE1-NE1 3.26Å; W202-F232 HydrophobicContact CH2-CB 3.47Å; W202-F232 VanDerWaalsContact CH2-CB 3.47Å; W202-F232 HydrophobicContact CH2-CD1 4.15Å; W202-F232 HydrophobicContact CH2-CD2 4.32Å; W202-F232 AromaticContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CZ2-CB 3.62Å; W202-F232 HydrophobicContact CZ2-CD1 4.48Å; W202-F232 HydrophobicContact CZ2-CG 4.23Å
203T89.2Confident89.3Confident1 Ų152.6 Ų52.61%0.00627%0.265CS..  trans-135.1152170.8-164.90000109.3I176 R201 Y206 F219I176-T203 HydrophobicContact CD1-CG2 3.85Å; R201-T203 VanDerWaalsContact C-N 3.27Å; R201-T203 PolarHBondContact O-N 3.3Å; T203-Y206 PolarHBondContact OG1-O 2.88Å; T203-F219 PolarHBondContact OG1-N 3.11Å; T203-F219 PolarHBondContact OG1-O 3.4Å
204E86.4Confident89.7Confident97 Ų9751.9 Ų51.945%0.45326%0.26SS..SBendtrans-93.1-28.9178.1-69.2171.1-164.300112.6F219 H220 Q221E204-F219 PolarHBondContact N-O 2.76Å; E204-H220 IonicContact OE1-ND1 3.91Å; E204-Q221 VanDerWaalsContact OE2-CG 3.29Å; E204-Q221 WeakPolarHBondContact OE2-CG 3.32Å; E204-Q221 PolarHBondContact OE2-N 2.66Å
205T85.6Confident90Very high68 Ų6850 Ų5042%0.41725%0.249SC..SBendtrans-117.7-77.7-176.357.10000111.8F219 W540T205-F219 WeakPolarHBondContact OG1-CB 3.48Å; T205-W540 WeakPolarHBondContact O-CZ2 3.34Å
206Y88.8Confident90.2Very high46 Ų4646.1 Ų46.118%0.1823%0.228CC..  trans-142.4179.2179.970.3-86.9000110.4T203 R208 F219 S244T203-Y206 PolarHBondContact OG1-O 2.88Å; Y206-R208 HydrophobicContact CE2-CB 4.37Å; Y206-F219 HydrophobicContact CD1-CD2 4.5Å; Y206-F219 HydrophobicContact CD1-CE2 4.38Å; Y206-F219 HydrophobicContact CD1-CZ 4.41Å; Y206-F219 HydrophobicContact CD2-CD2 4.44Å; Y206-F219 AromaticContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CZ 4.21Å; Y206-F219 HydrophobicContact CE1-CD1 4.19Å; Y206-F219 HydrophobicContact CE1-CD2 4.48Å; Y206-F219 AromaticContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE2 4.07Å; Y206-F219 AromaticContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE2-CD2 4.43Å; Y206-F219 HydrophobicContact CE2-CE1 4.34Å; Y206-F219 AromaticContact CE2-CE2 3.5Å; Y206-F219 HydrophobicContact CE2-CE2 3.5Å; Y206-F219 VanDerWaalsContact CE2-CE2 3.5Å; Y206-F219 AromaticContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CE2-CZ 3.44Å; Y206-F219 VanDerWaalsContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CG-CD2 4.49Å; Y206-F219 HydrophobicContact CG-CE2 4.29Å; Y206-F219 AromaticContact CZ-CE1 3.61Å; Y206-F219 AromaticContact CZ-CE2 3.63Å; Y206-F219 AromaticContact CZ-CZ 3.12Å; Y206-F219 WeakPolarHBondContact O-CD2 3.09Å; Y206-F219 WeakPolarHBondContact OH-CZ 3.47Å; Y206-S244 WeakPolarHBondContact CE1-O 3.28Å; Y206-S244 PolarHBondContact OH-O 3.09Å
207V92.4Very high90.6Very high1 Ų143.9 Ų43.91%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-125.7148.4179.575.30000109.4I176 L216 A217 T218 Q568 L570I176-V207 HydrophobicContact CD1-CB 3.95Å; I176-V207 HydrophobicContact CD1-CG1 3.81Å; I176-V207 HydrophobicContact CG1-CG1 4.14Å; V207-L216 HydrophobicContact CG2-CD1 3.29Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; V207-L216 HydrophobicContact CG2-CG 3.58Å; V207-A217 WeakPolarHBondContact CG2-O 3.4Å; V207-T218 HydrophobicContact CG2-CG2 4.38Å; V207-Q568 PolarHBondContact O-OE1 3Å; V207-L570 WeakPolarHBondContact O-CD1 3.49Å
208R93Very high90.8Very high75 Ų7542.1 Ų42.128%0.28320%0.202SC..EExtended strand (participates in β ladder)trans-138.6127.6176.2-168.3168.2-177.4178-4.6111.1Y206 A217 F219 I246 D247Y206-R208 HydrophobicContact CE2-CB 4.37Å; R208-A217 PolarHBondContact N-O 2.91Å; R208-A217 VanDerWaalsContact N-O 3.1Å; R208-A217 WeakPolarHBondContact O-CB 3.28Å; R208-A217 PolarHBondContact O-N 3.26Å; R208-F219 HydrophobicContact CB-CE2 4.46Å; R208-I246 HydrophobicContact CB-CD1 4.12Å; R208-I246 HydrophobicContact CB-CG1 4.48Å; R208-I246 PolarHBondContact NH1-O 3.29Å; R208-D247 IonicContact CZ-OD1 3.64Å; R208-D247 IonicContact NH1-OD1 2.95Å; R208-D247 PolarHBondContact NH1-OD1 3.21Å; R208-D247 IonicContact NH2-OD1 3.82Å; R208-D247 PolarHBondContact NH2-OD1 3.47Å
209W94.1Very high90.9Very high13 Ų1339 Ų395%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-75.3148.8171.2-69.1103.8000111.4S174 I185 L216 F232 R572 P573S174-W209 PolarHBondContact OG-NE1 3.08Å; I185-W209 HydrophobicContact CD1-CH2 4.14Å; I185-W209 HydrophobicContact CD1-CZ2 4.46Å; W209-L216 HydrophobicContact CD2-CD1 3.5Å; W209-L216 VanDerWaalsContact CE2-CD1 3.49Å; W209-L216 HydrophobicContact CE3-CB 4.09Å; W209-L216 HydrophobicContact CE3-CD1 3.67Å; W209-L216 HydrophobicContact CG-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.33Å; W209-L216 HydrophobicContact CH2-CD1 3.86Å; W209-L216 HydrophobicContact CH2-CD2 4.47Å; W209-L216 HydrophobicContact CH2-CG 4.48Å; W209-L216 HydrophobicContact CZ2-CD1 3.68Å; W209-L216 HydrophobicContact CZ3-CB 3.86Å; W209-L216 HydrophobicContact CZ3-CD1 3.85Å; W209-L216 HydrophobicContact CZ3-CG 4.4Å; W209-F232 AromaticContact CH2-CE1 3.59Å; W209-F232 HydrophobicContact CH2-CE1 3.59Å; W209-F232 AromaticContact CH2-CZ 3.85Å; W209-F232 HydrophobicContact CH2-CZ 3.85Å; W209-F232 AromaticContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CZ 4.4Å; W209-R572 HydrophobicContact CD2-CB 4.2Å; W209-R572 HydrophobicContact CD2-CG 4.01Å; W209-R572 HydrophobicContact CE3-CB 4.47Å; W209-R572 HydrophobicContact CE3-CG 3.81Å; W209-R572 HydrophobicContact CH2-CB 4.31Å; W209-R572 HydrophobicContact CH2-CG 3.96Å; W209-R572 HydrophobicContact CZ2-CB 4.03Å; W209-R572 HydrophobicContact CZ2-CG 4.17Å; W209-R572 HydrophobicContact CZ3-CG 3.77Å; W209-P573 HydrophobicContact CB-CG 4.01Å
210S93.4Very high90.8Very high0 Ų037.9 Ų37.90%019%0.185CC..  trans-68.2155.9165.969.80000110.8K212 G213 T214 Y215 E252 P573S210-K212 PolarHBondContact O-N 3.31Å; S210-G213 PolarHBondContact O-N 3.09Å; S210-G213 PolarHBondContact OG-N 3.01Å; S210-T214 PolarHBondContact OG-N 2.86Å; S210-T214 VanDerWaalsContact OG-N 3.07Å; S210-Y215 PolarHBondContact N-O 3.04Å; S210-Y215 PolarHBondContact OG-N 3.14Å; S210-Y215 PolarHBondContact OG-O 2.97Å; S210-E252 WeakPolarHBondContact CB-OE1 3.29Å; S210-E252 PolarHBondContact OG-OE1 2.82Å; S210-P573 WeakPolarHBondContact O-CG 3.18Å
211P90.5Very high90.6Very high58 Ų5841.3 Ų41.338%0.37719%0.187SC..THydrogen-bonded Turntrans-55.6-24.2-174-31.536.2000116F248 P573P211-F248 HydrophobicContact CG-CB 3.75Å; P211-P573 VanDerWaalsContact O-CB 3.32Å; P211-P573 WeakPolarHBondContact O-CB 3.39Å
212K88.8Confident90.5Very high58 Ų5842.1 Ų42.125%0.25219%0.19SC..THydrogen-bonded Turntrans-1107.3176-48.7176.6179.91680113.1S210 T214 E252 P573 P575S210-K212 PolarHBondContact O-N 3.31Å; K212-T214 PolarHBondContact O-N 2.84Å; K212-E252 VanDerWaalsContact CA-OE1 3.32Å; K212-E252 WeakPolarHBondContact CA-OE1 3.33Å; K212-E252 VanDerWaalsContact CB-CD 3.48Å; K212-E252 HydrophobicContact CB-CG 4.44Å; K212-E252 WeakPolarHBondContact CB-OE1 3.43Å; K212-E252 HydrophobicContact CD-CG 4.25Å; K212-E252 HydrophobicContact CG-CG 4.12Å; K212-E252 PolarHBondContact N-OE1 2.79Å; K212-P573 CarbonylContact C-O 3.58Å; K212-P575 HydrophobicContact CB-CB 4.1Å; K212-P575 WeakPolarHBondContact O-CD 3.19Å
213G89.6Confident90.4Very high0 Ų042 Ų420%019%0.191CC..SBendtrans728.2-18000000115.1W163 S210 R572 P573W163-G213 WeakPolarHBondContact CH2-O 3.45Å; S210-G213 PolarHBondContact O-N 3.09Å; S210-G213 PolarHBondContact OG-N 3.01Å; G213-R572 VanDerWaalsContact O-CZ 3.28Å; G213-R572 PolarHBondContact O-NE 2.88Å; G213-R572 PolarHBondContact O-NH2 3.36Å; G213-P573 WeakPolarHBondContact CA-O 3.46Å; G213-P573 PolarHBondContact N-O 2.92Å
214T90.1Very high90.6Very high10 Ų1042 Ų426%0.06119%0.191CC..SBendtrans-63.2-41.4178.6-52.40000112.1M160 S210 K212 E252M160-T214 HydrophobicContact CB-CG2 4.07Å; M160-T214 HydrophobicContact CE-CG2 3.59Å; M160-T214 WeakPolarHBondContact CE-O 3.5Å; S210-T214 PolarHBondContact OG-N 2.86Å; S210-T214 VanDerWaalsContact OG-N 3.07Å; K212-T214 PolarHBondContact O-N 2.84Å; T214-E252 VanDerWaalsContact CB-OE2 3.26Å; T214-E252 WeakPolarHBondContact CB-OE2 3.27Å; T214-E252 PolarHBondContact OG1-OE1 2.96Å; T214-E252 PolarHBondContact OG1-OE2 2.87Å
215Y92.2Very high90.9Very high30 Ų3037.5 Ų37.512%0.11817%0.171CC..  trans-121146.4-176.6-54.4-71.5000111.5M160 S210 W227 I235 I276M160-Y215 HydrophobicContact CE-CD1 3.71Å; M160-Y215 HydrophobicContact CE-CE1 3.36Å; S210-Y215 PolarHBondContact N-O 3.04Å; S210-Y215 PolarHBondContact OG-N 3.14Å; S210-Y215 PolarHBondContact OG-O 2.97Å; Y215-W227 CarbonylContact C-O 3.51Å; Y215-W227 WeakPolarHBondContact CA-O 3.5Å; Y215-I235 HydrophobicContact CD1-CD1 3.87Å; Y215-I235 HydrophobicContact CE1-CD1 3.64Å; Y215-I235 HydrophobicContact CE1-CG2 4.41Å; Y215-I276 HydrophobicContact CD2-CG2 4.35Å; Y215-I276 HydrophobicContact CE2-CG2 3.82Å
216L93.4Very high91.3Very high0 Ų034.3 Ų34.30%015%0.151CC..EExtended strand (participates in β ladder)trans-107.4122.8166.9-173.369.1000108.5I185 W202 V207 W209 W227 F232I185-L216 HydrophobicContact CD1-CD2 3.97Å; W202-L216 HydrophobicContact CH2-CD2 3.95Å; W202-L216 HydrophobicContact CZ2-CD2 3.97Å; W202-L216 HydrophobicContact CZ3-CD2 4.38Å; V207-L216 HydrophobicContact CG2-CD1 3.29Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; V207-L216 HydrophobicContact CG2-CG 3.58Å; W209-L216 HydrophobicContact CD2-CD1 3.5Å; W209-L216 VanDerWaalsContact CE2-CD1 3.49Å; W209-L216 HydrophobicContact CE3-CB 4.09Å; W209-L216 HydrophobicContact CE3-CD1 3.67Å; W209-L216 HydrophobicContact CG-CD1 4.12Å; W209-L216 HydrophobicContact CH2-CB 4.33Å; W209-L216 HydrophobicContact CH2-CD1 3.86Å; W209-L216 HydrophobicContact CH2-CD2 4.47Å; W209-L216 HydrophobicContact CH2-CG 4.48Å; W209-L216 HydrophobicContact CZ2-CD1 3.68Å; W209-L216 HydrophobicContact CZ3-CB 3.86Å; W209-L216 HydrophobicContact CZ3-CD1 3.85Å; W209-L216 HydrophobicContact CZ3-CG 4.4Å; L216-W227 HydrophobicContact CB-CB 4.33Å; L216-W227 PolarHBondContact N-O 3.42Å; L216-W227 PolarHBondContact O-N 3.32Å; L216-F232 HydrophobicContact CB-CD1 4.44Å; L216-F232 HydrophobicContact CD2-CD1 4.47Å
217A94.6Very high91.4Very high0 Ų033.8 Ų33.80%015%0.149CC..EExtended strand (participates in β ladder)trans-95.9126.9174.300000111.3V207 R208 I224 A225 L226 I246 F248V207-A217 WeakPolarHBondContact CG2-O 3.4Å; R208-A217 PolarHBondContact N-O 2.91Å; R208-A217 VanDerWaalsContact N-O 3.1Å; R208-A217 WeakPolarHBondContact O-CB 3.28Å; R208-A217 PolarHBondContact O-N 3.26Å; A217-I224 HydrophobicContact CB-CG2 4.36Å; A217-A225 WeakPolarHBondContact CA-O 3.32Å; A217-L226 HydrophobicContact CB-CD2 3.79Å; A217-I246 HydrophobicContact CB-CD1 3.26Å; A217-F248 HydrophobicContact CB-CE2 3.93Å; A217-F248 HydrophobicContact CB-CZ 3.84Å
218T93.3Very high91.3Very high0 Ų033.9 Ų33.90%015%0.15CC..EExtended strand (participates in β ladder)trans-111.5149.9172.664.50000111W202 V207 H220 I224 A225 W227W202-T218 HydrophobicContact CG-CG2 4.21Å; W202-T218 VanDerWaalsContact O-CB 3.3Å; W202-T218 WeakPolarHBondContact O-CB 3.24Å; W202-T218 WeakPolarHBondContact O-CG2 3.21Å; V207-T218 HydrophobicContact CG2-CG2 4.38Å; T218-H220 PolarHBondContact OG1-NE2 3Å; T218-I224 WeakPolarHBondContact O-CA 3.16Å; T218-I224 WeakPolarHBondContact O-CG2 3.43Å; T218-A225 PolarHBondContact N-O 3.2Å; T218-A225 PolarHBondContact O-N 3.1Å; T218-A225 VanDerWaalsContact O-N 3.14Å; T218-W227 PolarHBondContact OG1-NE1 3.13Å
219F92.1Very high90.9Very high3 Ų330.7 Ų30.71%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-107.8127.7-174.7-71.1-108.8000109.5T203 E204 T205 Y206 R208 V243 I246T203-F219 PolarHBondContact OG1-N 3.11Å; T203-F219 PolarHBondContact OG1-O 3.4Å; E204-F219 PolarHBondContact N-O 2.76Å; T205-F219 WeakPolarHBondContact OG1-CB 3.48Å; Y206-F219 HydrophobicContact CD1-CD2 4.5Å; Y206-F219 HydrophobicContact CD1-CE2 4.38Å; Y206-F219 HydrophobicContact CD1-CZ 4.41Å; Y206-F219 HydrophobicContact CD2-CD2 4.44Å; Y206-F219 AromaticContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CE2 3.85Å; Y206-F219 HydrophobicContact CD2-CZ 4.21Å; Y206-F219 HydrophobicContact CE1-CD1 4.19Å; Y206-F219 HydrophobicContact CE1-CD2 4.48Å; Y206-F219 AromaticContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE1 3.73Å; Y206-F219 HydrophobicContact CE1-CE2 4.07Å; Y206-F219 AromaticContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE1-CZ 3.66Å; Y206-F219 HydrophobicContact CE2-CD2 4.43Å; Y206-F219 HydrophobicContact CE2-CE1 4.34Å; Y206-F219 AromaticContact CE2-CE2 3.5Å; Y206-F219 HydrophobicContact CE2-CE2 3.5Å; Y206-F219 VanDerWaalsContact CE2-CE2 3.5Å; Y206-F219 AromaticContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CE2-CZ 3.44Å; Y206-F219 VanDerWaalsContact CE2-CZ 3.44Å; Y206-F219 HydrophobicContact CG-CD2 4.49Å; Y206-F219 HydrophobicContact CG-CE2 4.29Å; Y206-F219 AromaticContact CZ-CE1 3.61Å; Y206-F219 AromaticContact CZ-CE2 3.63Å; Y206-F219 AromaticContact CZ-CZ 3.12Å; Y206-F219 WeakPolarHBondContact O-CD2 3.09Å; Y206-F219 WeakPolarHBondContact OH-CZ 3.47Å; R208-F219 HydrophobicContact CB-CE2 4.46Å; F219-V243 HydrophobicContact CE1-CG1 4.34Å; F219-I246 HydrophobicContact CE1-CB 4.48Å; F219-I246 HydrophobicContact CE1-CG1 4.43Å; F219-I246 HydrophobicContact CE1-CG2 3.64Å; F219-I246 HydrophobicContact CE2-CD1 3.74Å; F219-I246 HydrophobicContact CE2-CG1 4.23Å; F219-I246 HydrophobicContact CZ-CB 4.12Å; F219-I246 HydrophobicContact CZ-CD1 3.58Å; F219-I246 HydrophobicContact CZ-CG1 3.6Å; F219-I246 HydrophobicContact CZ-CG2 3.69Å
220H90.4Very high90.3Very high49 Ų4936 Ų3623%0.22717%0.166CC..EExtended strand (participates in β ladder)trans-132.8152173.4-51.7-80.9000109.3W202 E204 T218 R222 G223W202-H220 PolarHBondContact O-CE1 3.33Å; W202-H220 PolarHBondContact O-NE2 3.3Å; E204-H220 IonicContact OE1-ND1 3.91Å; T218-H220 PolarHBondContact OG1-NE2 3Å; H220-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact O-N 3.14Å; H220-G223 CarbonylContact C-O 3.58Å; H220-G223 WeakPolarHBondContact CA-O 3.3Å; H220-G223 VanDerWaalsContact CB-O 3.27Å; H220-G223 WeakPolarHBondContact CB-O 3.49Å; H220-G223 PolarHBondContact N-O 3.29Å; H220-G223 CarbonylContact O-C 3.37Å; H220-G223 PolarHBondContact O-N 2.83Å
221Q85.9Confident89.9Confident151 Ų15142.3 Ų42.371%0.70619%0.193SC*.THydrogen-bonded Turntrans-54.2-35.2176.7-82.4172.811.100113.5E204 Q241 G242E204-Q221 VanDerWaalsContact OE2-CG 3.29Å; E204-Q221 WeakPolarHBondContact OE2-CG 3.32Å; E204-Q221 PolarHBondContact OE2-N 2.66Å; Q221-Q241 WeakPolarHBondContact O-CA 3.34Å; Q221-G242 PolarHBondContact O-N 3.49Å; Q221-G242 VanDerWaalsContact O-N 3.16Å
222R86.5Confident89.7Confident217 Ų21739.7 Ų39.782%0.81918%0.176SC*.THydrogen-bonded Turntrans-79.9-15.5-179.8-62.9-177.2-176.7-178.50.6113.9H220H220-R222 PolarHBondContact O-N 2.84Å; H220-R222 VanDerWaalsContact O-N 3.14Å
223G87.8Confident89.7Confident5 Ų543.9 Ų43.95%0.05219%0.194CC..EExtended strand (participates in β ladder)trans156.2-179.6-170.700000114.7H220 F238 H240H220-G223 CarbonylContact C-O 3.58Å; H220-G223 WeakPolarHBondContact CA-O 3.3Å; H220-G223 VanDerWaalsContact CB-O 3.27Å; H220-G223 WeakPolarHBondContact CB-O 3.49Å; H220-G223 PolarHBondContact N-O 3.29Å; H220-G223 CarbonylContact O-C 3.37Å; H220-G223 PolarHBondContact O-N 2.83Å; G223-F238 CarbonylContact C-O 3.57Å; G223-F238 WeakPolarHBondContact CA-O 3.13Å; G223-H240 VanDerWaalsContact CA-O 3.3Å; G223-H240 WeakPolarHBondContact CA-O 3.15Å
224I92.7Very high89.7Confident1 Ų148 Ų481%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-105.6140.2179.2-62.2144.5000108.9A217 T218 R237 F238 V243 I246 T257A217-I224 HydrophobicContact CB-CG2 4.36Å; T218-I224 WeakPolarHBondContact O-CA 3.16Å; T218-I224 WeakPolarHBondContact O-CG2 3.43Å; I224-R237 CarbonylContact O-C 3.57Å; I224-R237 WeakPolarHBondContact O-CA 3.27Å; I224-F238 HydrophobicContact CB-CD2 4.49Å; I224-F238 HydrophobicContact CG2-CD2 4.49Å; I224-F238 PolarHBondContact N-O 3.39Å; I224-F238 PolarHBondContact O-N 2.67Å; I224-V243 HydrophobicContact CD1-CB 4Å; I224-V243 HydrophobicContact CD1-CG1 3.65Å; I224-V243 HydrophobicContact CD1-CG2 3.94Å; I224-V243 HydrophobicContact CG1-CB 4.32Å; I224-V243 HydrophobicContact CG1-CG1 4.23Å; I224-I246 HydrophobicContact CD1-CG2 3.39Å; I224-I246 HydrophobicContact CG1-CG2 3.99Å; I224-T257 HydrophobicContact CD1-CG2 3.21Å
225A93.4Very high89.6Confident2 Ų248.5 Ų48.52%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-114.8137.7172.400000110.5A217 T218 W227A217-A225 WeakPolarHBondContact CA-O 3.32Å; T218-A225 PolarHBondContact N-O 3.2Å; T218-A225 PolarHBondContact O-N 3.1Å; T218-A225 VanDerWaalsContact O-N 3.14Å; A225-W227 HydrophobicContact CB-CZ2 4.29Å
226L93.8Very high89.4Confident1 Ų149.3 Ų49.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-101.3126.5169.9-64-173.2000109.5A217 I235 Q236 F238 F248 I276A217-L226 HydrophobicContact CB-CD2 3.79Å; L226-I235 PolarHBondContact O-N 2.88Å; L226-Q236 HydrophobicContact CB-CB 4.35Å; L226-Q236 HydrophobicContact CD1-CB 4.46Å; L226-Q236 PolarHBondContact N-O 3.17Å; L226-Q236 PolarHBondContact O-N 3.5Å; L226-F238 HydrophobicContact CD1-CE2 3.53Å; L226-F238 HydrophobicContact CD1-CZ 3.91Å; L226-F238 HydrophobicContact CD2-CE2 4.42Å; L226-F238 HydrophobicContact CG-CD2 4.45Å; L226-F238 HydrophobicContact CG-CE2 3.68Å; L226-F238 HydrophobicContact CG-CZ 4.47Å; L226-F248 HydrophobicContact CD1-CE1 4.48Å; L226-F248 HydrophobicContact CD2-CE1 3.95Å; L226-F248 HydrophobicContact CD2-CZ 3.62Å; L226-I276 HydrophobicContact CD1-CG1 4.2Å; L226-I276 HydrophobicContact CD1-CG2 3.77Å
227W92.1Very high89.4Confident35 Ų3557.1 Ų57.113%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-113.5145.4178.6-51.982.4000109.8W202 Y215 L216 T218 A225 F232 K233 Q234W202-W227 AromaticContact CD1-CE2 3.7Å; W202-W227 AromaticContact CD1-CZ2 3.69Å; W202-W227 AromaticContact CD1-NE1 3.87Å; W202-W227 AromaticContact CE2-CD2 3.98Å; W202-W227 HydrophobicContact CZ2-CB 4.11Å; W202-W227 HydrophobicContact CZ2-CD2 4.07Å; W202-W227 HydrophobicContact CZ2-CE3 4.3Å; W202-W227 AromaticContact CZ2-CG 3.98Å; W202-W227 HydrophobicContact CZ2-CG 3.98Å; W202-W227 AromaticContact NE1-CD1 3.62Å; W202-W227 AromaticContact NE1-CD2 3.23Å; W202-W227 AromaticContact NE1-CE2 3.02Å; W202-W227 AromaticContact NE1-CE3 3.78Å; W202-W227 AromaticContact NE1-CG 3.62Å; W202-W227 AromaticContact NE1-CH2 3.89Å; W202-W227 AromaticContact NE1-CZ2 3.38Å; W202-W227 AromaticContact NE1-NE1 3.26Å; Y215-W227 CarbonylContact C-O 3.51Å; Y215-W227 WeakPolarHBondContact CA-O 3.5Å; L216-W227 HydrophobicContact CB-CB 4.33Å; L216-W227 PolarHBondContact N-O 3.42Å; L216-W227 PolarHBondContact O-N 3.32Å; T218-W227 PolarHBondContact OG1-NE1 3.13Å; A225-W227 HydrophobicContact CB-CZ2 4.29Å; W227-F232 HydrophobicContact CB-CB 4.43Å; W227-K233 VanDerWaalsContact CA-O 3.3Å; W227-K233 WeakPolarHBondContact CA-O 3.45Å; W227-Q234 HydrophobicContact CD2-CB 4.34Å; W227-Q234 HydrophobicContact CE3-CB 3.83Å; W227-Q234 VanDerWaalsContact CE3-N 3.32Å; W227-Q234 HydrophobicContact CH2-CB 4.18Å; W227-Q234 HydrophobicContact CZ3-CB 3.75Å
228G89.8Confident89.2Confident3 Ų357.1 Ų57.13%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-167.6-173.5174.900000112.9F232 K233G228-F232 CarbonylContact O-C 3.55Å; G228-F232 VanDerWaalsContact O-CA 3.29Å; G228-F232 WeakPolarHBondContact O-CA 3.48Å; G228-K233 PolarHBondContact N-O 3.16Å; G228-K233 PolarHBondContact O-N 3.34Å
229G84.1Confident89.1Confident8 Ų861.1 Ų61.18%0.08228%0.278CS..THydrogen-bonded Turntrans79.2180-169.200000112.3M160 K231 F232M160-G229 PolarHBondContact SD-N 2.83Å; G229-K231 PolarHBondContact O-N 2.84Å; G229-F232 PolarHBondContact O-N 3.01Å
230E81.8Confident88.8Confident124 Ų12461 Ų6158%0.57928%0.277SS*.THydrogen-bonded Turntrans-62.9-41.6-177.2-173.5-176.2177.100112.4H162H162-E230 IonicContact CE1-OE1 2.83Å
231K84.4Confident88.7Confident133 Ų13364.6 Ų64.658%0.57829%0.294SS*.THydrogen-bonded Turntrans-97.521.6-179.2-61.2-172.1178.8-176.30114.3E197 R199 G229 K233E197-K231 WeakPolarHBondContact OE1-CA 3.35Å; R199-K231 PolarHBondContact NH2-O 2.88Å; G229-K231 PolarHBondContact O-N 2.84Å; K231-K233 PolarHBondContact O-N 3.04Å; K231-K233 VanDerWaalsContact O-N 3.13Å
232F86.6Confident88.6Confident4 Ų458.5 Ų58.52%0.01827%0.272CS..THydrogen-bonded Turntrans35.863.6-174.6-65.9-88.8000113.4I185 E197 R199 W202 W209 L216 W227 G228 G229I185-F232 HydrophobicContact CD1-CD1 3.76Å; I185-F232 HydrophobicContact CD1-CD2 3.64Å; I185-F232 HydrophobicContact CD1-CE1 3.49Å; I185-F232 VanDerWaalsContact CD1-CE1 3.49Å; I185-F232 HydrophobicContact CD1-CE2 3.36Å; I185-F232 HydrophobicContact CD1-CG 3.84Å; I185-F232 HydrophobicContact CD1-CZ 3.28Å; I185-F232 HydrophobicContact CG2-CE2 4.26Å; I185-F232 HydrophobicContact CG2-CZ 4.19Å; E197-F232 HydrophobicContact CG-CD2 4.19Å; R199-F232 PolarHBondContact NH1-O 2.75Å; R199-F232 PolarHBondContact NH2-O 3.39Å; W202-F232 HydrophobicContact CH2-CB 3.47Å; W202-F232 VanDerWaalsContact CH2-CB 3.47Å; W202-F232 HydrophobicContact CH2-CD1 4.15Å; W202-F232 HydrophobicContact CH2-CD2 4.32Å; W202-F232 AromaticContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CH2-CG 3.73Å; W202-F232 HydrophobicContact CZ2-CB 3.62Å; W202-F232 HydrophobicContact CZ2-CD1 4.48Å; W202-F232 HydrophobicContact CZ2-CG 4.23Å; W209-F232 AromaticContact CH2-CE1 3.59Å; W209-F232 HydrophobicContact CH2-CE1 3.59Å; W209-F232 AromaticContact CH2-CZ 3.85Å; W209-F232 HydrophobicContact CH2-CZ 3.85Å; W209-F232 AromaticContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CE1 3.81Å; W209-F232 HydrophobicContact CZ3-CZ 4.4Å; L216-F232 HydrophobicContact CB-CD1 4.44Å; L216-F232 HydrophobicContact CD2-CD1 4.47Å; W227-F232 HydrophobicContact CB-CB 4.43Å; G228-F232 CarbonylContact O-C 3.55Å; G228-F232 VanDerWaalsContact O-CA 3.29Å; G228-F232 WeakPolarHBondContact O-CA 3.48Å; G229-F232 PolarHBondContact O-N 3.01Å
233K88.8Confident88.6Confident145 Ų14548.9 Ų48.963%0.6324%0.237SC*.EExtended strand (participates in β ladder)trans-81.3153.3174.9-69.7-175.5179.8179.70109.5W227 G228 K231 I235W227-K233 VanDerWaalsContact CA-O 3.3Å; W227-K233 WeakPolarHBondContact CA-O 3.45Å; G228-K233 PolarHBondContact N-O 3.16Å; G228-K233 PolarHBondContact O-N 3.34Å; K231-K233 PolarHBondContact O-N 3.04Å; K231-K233 VanDerWaalsContact O-N 3.13Å; K233-I235 PolarHBondContact O-N 3.02Å
234Q89.3Confident88.5Confident86 Ų8650.7 Ų50.740%0.40225%0.249SC..EExtended strand (participates in β ladder)trans-69.8122.6176.1-173.7171.614.100109.3W227W227-Q234 HydrophobicContact CD2-CB 4.34Å; W227-Q234 HydrophobicContact CE3-CB 3.83Å; W227-Q234 VanDerWaalsContact CE3-N 3.32Å; W227-Q234 HydrophobicContact CH2-CB 4.18Å; W227-Q234 HydrophobicContact CZ3-CB 3.75Å
235I87.8Confident88.3Confident22 Ų2253.2 Ų53.211%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-98.7-50.3-178.9-59.5180000109.6F157 M160 Y215 L226 K233F157-I235 HydrophobicContact CD1-CG1 4.1Å; F157-I235 HydrophobicContact CD1-CG2 4.1Å; F157-I235 HydrophobicContact CD2-CG2 4.25Å; F157-I235 HydrophobicContact CE1-CB 4.4Å; F157-I235 HydrophobicContact CE1-CG1 4.45Å; F157-I235 HydrophobicContact CE1-CG2 3.84Å; F157-I235 HydrophobicContact CE2-CG2 4Å; F157-I235 HydrophobicContact CG-CG1 4.49Å; F157-I235 HydrophobicContact CG-CG2 4.3Å; F157-I235 HydrophobicContact CZ-CG2 3.79Å; M160-I235 HydrophobicContact CE-CD1 3.3Å; M160-I235 HydrophobicContact SD-CD1 3.62Å; Y215-I235 HydrophobicContact CD1-CD1 3.87Å; Y215-I235 HydrophobicContact CE1-CD1 3.64Å; Y215-I235 HydrophobicContact CE1-CG2 4.41Å; L226-I235 PolarHBondContact O-N 2.88Å; K233-I235 PolarHBondContact O-N 3.02Å
236Q89.2Confident88.2Confident47 Ų4753.1 Ų53.122%0.2226%0.262CS..EExtended strand (participates in β ladder)trans-137.3155.1-179.5-72-66.4-5.700111.1L226 F238 I276 L277L226-Q236 HydrophobicContact CB-CB 4.35Å; L226-Q236 HydrophobicContact CD1-CB 4.46Å; L226-Q236 PolarHBondContact N-O 3.17Å; L226-Q236 PolarHBondContact O-N 3.5Å; Q236-F238 HydrophobicContact CB-CZ 4.27Å; Q236-I276 WeakPolarHBondContact CG-O 3.13Å; Q236-L277 PolarHBondContact NE2-O 3.4Å
237R92.3Very high88.1Confident164 Ų16454.1 Ų54.162%0.61927%0.267SS*.EExtended strand (participates in β ladder)trans-133.5128.1172.6-169.6175.463-159.5-1.1109.4I224I224-R237 CarbonylContact O-C 3.57Å; I224-R237 WeakPolarHBondContact O-CA 3.27Å
238F92Very high88.1Confident0 Ų052.8 Ų52.80%026%0.262CS..EExtended strand (participates in β ladder)trans-105.1113.3175.6-54.7-62.6000109.3G223 I224 L226 Q236 H240 V255 W274 I276G223-F238 CarbonylContact C-O 3.57Å; G223-F238 WeakPolarHBondContact CA-O 3.13Å; I224-F238 HydrophobicContact CB-CD2 4.49Å; I224-F238 HydrophobicContact CG2-CD2 4.49Å; I224-F238 PolarHBondContact N-O 3.39Å; I224-F238 PolarHBondContact O-N 2.67Å; L226-F238 HydrophobicContact CD1-CE2 3.53Å; L226-F238 HydrophobicContact CD1-CZ 3.91Å; L226-F238 HydrophobicContact CD2-CE2 4.42Å; L226-F238 HydrophobicContact CG-CD2 4.45Å; L226-F238 HydrophobicContact CG-CE2 3.68Å; L226-F238 HydrophobicContact CG-CZ 4.47Å; Q236-F238 HydrophobicContact CB-CZ 4.27Å; F238-H240 PolarHBondContact O-N 2.81Å; F238-H240 VanDerWaalsContact O-N 3.08Å; F238-V255 HydrophobicContact CD2-CG1 3.84Å; F238-V255 HydrophobicContact CE2-CG1 3.4Å; F238-V255 HydrophobicContact CZ-CG1 3.8Å; F238-W274 HydrophobicContact CB-CD2 3.97Å; F238-W274 HydrophobicContact CB-CE3 4.32Å; F238-W274 HydrophobicContact CB-CG 4.33Å; F238-W274 HydrophobicContact CB-CZ2 4.32Å; F238-W274 HydrophobicContact CD1-CB 3.65Å; F238-W274 AromaticContact CD1-CD2 3.52Å; F238-W274 HydrophobicContact CD1-CD2 3.52Å; F238-W274 AromaticContact CD1-CE3 3.52Å; F238-W274 HydrophobicContact CD1-CE3 3.52Å; F238-W274 AromaticContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CZ3 4.35Å; F238-W274 HydrophobicContact CE1-CB 3.5Å; F238-W274 HydrophobicContact CE1-CD2 4.29Å; F238-W274 HydrophobicContact CE1-CE3 4.28Å; F238-W274 AromaticContact CE1-CG 4Å; F238-W274 HydrophobicContact CE1-CG 4Å; F238-W274 HydrophobicContact CG-CB 4.29Å; F238-W274 AromaticContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CE3 4.29Å; F238-W274 AromaticContact CG-CG 3.94Å; F238-W274 HydrophobicContact CG-CG 3.94Å; F238-W274 HydrophobicContact CZ-CB 4.05Å; F238-I276 HydrophobicContact CZ-CG1 4.47Å
239S90Very high88.2Confident84 Ų8452.7 Ų52.759%0.58726%0.261SS*.  trans-77.392176.5-58.90000109.3
240H87Confident88.5Confident1 Ų154.7 Ų54.71%0.00527%0.273CS..  trans-140.1110.9173.8-172.2-175.7000107.8G223 F238 V243 T257 S259 W274G223-H240 VanDerWaalsContact CA-O 3.3Å; G223-H240 WeakPolarHBondContact CA-O 3.15Å; F238-H240 PolarHBondContact O-N 2.81Å; F238-H240 VanDerWaalsContact O-N 3.08Å; H240-V243 HydrophobicContact CB-CG2 3.59Å; H240-V243 WeakPolarHBondContact ND1-CG2 3.36Å; H240-V243 WeakPolarHBondContact O-CG2 3.07Å; H240-T257 PolarHBondContact ND1-OG1 3.14Å; H240-S259 VanDerWaalsContact NE2-CB 3.34Å; H240-S259 WeakPolarHBondContact NE2-CB 3.39Å; H240-S259 PolarHBondContact NE2-OG 2.76Å; H240-W274 HydrophobicContact CB-CZ2 4.05Å
241Q87.3Confident88.7Confident123 Ų12350.1 Ų50.158%0.57525%0.254SS*.THydrogen-bonded Turntrans-78.9146.5-173.4-61.2-169.315.500111.4Q221 V243Q221-Q241 WeakPolarHBondContact O-CA 3.34Å; Q241-V243 VanDerWaalsContact C-N 3.26Å; Q241-V243 PolarHBondContact O-N 3.13Å
242G83.7Confident88.9Confident23 Ų2344.6 Ų44.624%0.23723%0.23CC..THydrogen-bonded Turntrans67.623.4173.600000114.7Q221 S244 P260Q221-G242 PolarHBondContact O-N 3.49Å; Q221-G242 VanDerWaalsContact O-N 3.16Å; G242-S244 PolarHBondContact O-N 3.39Å; G242-P260 WeakPolarHBondContact O-CD 3.33Å
243V87.6Confident89.1Confident15 Ų1549.5 Ų49.59%0.09125%0.248CC..  trans-67.3125.6177.3176.20000110.3F219 I224 H240 Q241 L245 I246 F258F219-V243 HydrophobicContact CE1-CG1 4.34Å; I224-V243 HydrophobicContact CD1-CB 4Å; I224-V243 HydrophobicContact CD1-CG1 3.65Å; I224-V243 HydrophobicContact CD1-CG2 3.94Å; I224-V243 HydrophobicContact CG1-CB 4.32Å; I224-V243 HydrophobicContact CG1-CG1 4.23Å; H240-V243 HydrophobicContact CB-CG2 3.59Å; H240-V243 WeakPolarHBondContact ND1-CG2 3.36Å; H240-V243 WeakPolarHBondContact O-CG2 3.07Å; Q241-V243 VanDerWaalsContact C-N 3.26Å; Q241-V243 PolarHBondContact O-N 3.13Å; V243-L245 VanDerWaalsContact CG1-O 3.27Å; V243-L245 WeakPolarHBondContact CG1-O 3.29Å; V243-I246 HydrophobicContact CG1-CG2 3.86Å; V243-F258 WeakPolarHBondContact CA-O 3.41Å; V243-F258 WeakPolarHBondContact CG1-O 3.01Å
244S84.9Confident89.3Confident44 Ų4443.1 Ų43.131%0.30822%0.221SC..  trans-101.5-30.1173.666.10000112.7Y206 G242 F258 P260Y206-S244 WeakPolarHBondContact CE1-O 3.28Å; Y206-S244 PolarHBondContact OH-O 3.09Å; G242-S244 PolarHBondContact O-N 3.39Å; S244-F258 PolarHBondContact N-O 3.21Å; S244-P260 WeakPolarHBondContact OG-CD 3.3Å
245L88Confident89.4Confident54 Ų5439 Ų3928%0.28320%0.201SC..EExtended strand (participates in β ladder)trans-133.2141.2-174.6-60.7170.4000111.1V243 F258 W293V243-L245 VanDerWaalsContact CG1-O 3.27Å; V243-L245 WeakPolarHBondContact CG1-O 3.29Å; L245-F258 HydrophobicContact CB-CB 4.24Å; L245-F258 HydrophobicContact CB-CD1 4.1Å; L245-F258 HydrophobicContact CD1-CD1 3.88Å; L245-F258 HydrophobicContact CD1-CE1 4.3Å; L245-F258 HydrophobicContact CG-CD1 4.28Å; L245-F258 PolarHBondContact N-O 2.75Å; L245-F258 PolarHBondContact O-N 3.09Å; L245-W293 HydrophobicContact CB-CD2 3.98Å; L245-W293 HydrophobicContact CB-CE3 4.48Å; L245-W293 HydrophobicContact CB-CG 4.25Å; L245-W293 HydrophobicContact CB-CZ2 4.29Å; L245-W293 HydrophobicContact CD1-CB 3.7Å; L245-W293 HydrophobicContact CD1-CD2 4.02Å; L245-W293 HydrophobicContact CD1-CE3 4.4Å; L245-W293 HydrophobicContact CD1-CG 3.71Å; L245-W293 HydrophobicContact CG-CG 4.45Å
246I91.6Very high89.6Confident0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-128.7157.8169.676-173.4000109.9R208 A217 F219 I224 V243 F248 V256 T257 W293R208-I246 HydrophobicContact CB-CD1 4.12Å; R208-I246 HydrophobicContact CB-CG1 4.48Å; R208-I246 PolarHBondContact NH1-O 3.29Å; A217-I246 HydrophobicContact CB-CD1 3.26Å; F219-I246 HydrophobicContact CE1-CB 4.48Å; F219-I246 HydrophobicContact CE1-CG1 4.43Å; F219-I246 HydrophobicContact CE1-CG2 3.64Å; F219-I246 HydrophobicContact CE2-CD1 3.74Å; F219-I246 HydrophobicContact CE2-CG1 4.23Å; F219-I246 HydrophobicContact CZ-CB 4.12Å; F219-I246 HydrophobicContact CZ-CD1 3.58Å; F219-I246 HydrophobicContact CZ-CG1 3.6Å; F219-I246 HydrophobicContact CZ-CG2 3.69Å; I224-I246 HydrophobicContact CD1-CG2 3.39Å; I224-I246 HydrophobicContact CG1-CG2 3.99Å; V243-I246 HydrophobicContact CG1-CG2 3.86Å; I246-F248 HydrophobicContact CD1-CE2 4.05Å; I246-V256 CarbonylContact C-O 3.45Å; I246-V256 WeakPolarHBondContact CA-O 3.34Å; I246-T257 HydrophobicContact CG2-CG2 4.21Å; I246-W293 PolarHBondContact O-NE1 3.09Å
247D91.8Very high89.7Confident21 Ų2135.8 Ų35.811%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-146.9144.2170.3-16340.1000110.1R208 V255 V256 W293R208-D247 IonicContact CZ-OD1 3.64Å; R208-D247 IonicContact NH1-OD1 2.95Å; R208-D247 PolarHBondContact NH1-OD1 3.21Å; R208-D247 IonicContact NH2-OD1 3.82Å; R208-D247 PolarHBondContact NH2-OD1 3.47Å; D247-V255 WeakPolarHBondContact O-CG2 3.47Å; D247-V256 PolarHBondContact N-O 2.85Å; D247-V256 PolarHBondContact O-N 3.34Å; D247-W293 HydrophobicContact CB-CZ2 3.49Å; D247-W293 VanDerWaalsContact CB-CZ2 3.49Å
248F92.8Very high89.6Confident8 Ų828.7 Ų28.74%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-103.7142.1-178.8-76.9-84.6000110P211 A217 L226 I246 V255 I276P211-F248 HydrophobicContact CG-CB 3.75Å; A217-F248 HydrophobicContact CB-CE2 3.93Å; A217-F248 HydrophobicContact CB-CZ 3.84Å; L226-F248 HydrophobicContact CD1-CE1 4.48Å; L226-F248 HydrophobicContact CD2-CE1 3.95Å; L226-F248 HydrophobicContact CD2-CZ 3.62Å; I246-F248 HydrophobicContact CD1-CE2 4.05Å; F248-V255 HydrophobicContact CD1-CB 4.08Å; F248-V255 HydrophobicContact CD1-CG2 3.72Å; F248-V255 HydrophobicContact CD2-CG2 4.43Å; F248-V255 HydrophobicContact CE1-CB 4.11Å; F248-V255 HydrophobicContact CE1-CG2 3.69Å; F248-V255 HydrophobicContact CE2-CG2 4.4Å; F248-V255 HydrophobicContact CG-CG2 4.12Å; F248-V255 HydrophobicContact CZ-CG2 4.06Å; F248-I276 HydrophobicContact CD1-CD1 3.8Å; F248-I276 HydrophobicContact CE1-CD1 3.94Å
249S92.4Very high89.3Confident0 Ų028.7 Ų28.70%016%0.159CC..  trans-59.3141.9162.959.30000110.2C251 E252 R253 Y254S249-C251 PolarHBondContact O-N 3.45Å; S249-E252 PolarHBondContact O-N 2.89Å; S249-R253 PolarHBondContact OG-N 3.29Å; S249-R253 VanDerWaalsContact OG-N 3.13Å; S249-Y254 WeakPolarHBondContact CB-O 3.4Å; S249-Y254 PolarHBondContact N-O 3.32Å; S249-Y254 PolarHBondContact OG-N 3.49Å; S249-Y254 PolarHBondContact OG-O 2.96Å
250P88.5Confident88.7Confident51 Ų5128.5 Ų28.533%0.33116%0.156SC..THydrogen-bonded Turntrans-56.8-24.7179-27.835.4000114.2W298P250-W298 VanDerWaalsContact CD-CB 3.47Å; P250-W298 HydrophobicContact CG-CB 4.08Å
251C86.8Confident88Confident27 Ų2734 Ų3418%0.18219%0.185CC..THydrogen-bonded Turntrans-88.6-0.8177.9600000114.8S249 R253S249-C251 PolarHBondContact O-N 3.45Å; C251-R253 VanDerWaalsContact C-N 3.26Å; C251-R253 HydrophobicContact CB-CG 4.49Å; C251-R253 PolarHBondContact O-N 3.46Å; C251-R253 PolarHBondContact SG-NE 2.91Å; C251-R253 VanDerWaalsContact SG-NE 3.38Å
252E88.9Confident86.7Confident18 Ų1834 Ų348%0.08419%0.186CC..SBendtrans59.928.8-177.4-53.7-176.4140.900114.4S210 K212 T214 S249 I276S210-E252 WeakPolarHBondContact CB-OE1 3.29Å; S210-E252 PolarHBondContact OG-OE1 2.82Å; K212-E252 VanDerWaalsContact CA-OE1 3.32Å; K212-E252 WeakPolarHBondContact CA-OE1 3.33Å; K212-E252 VanDerWaalsContact CB-CD 3.48Å; K212-E252 HydrophobicContact CB-CG 4.44Å; K212-E252 WeakPolarHBondContact CB-OE1 3.43Å; K212-E252 HydrophobicContact CD-CG 4.25Å; K212-E252 HydrophobicContact CG-CG 4.12Å; K212-E252 PolarHBondContact N-OE1 2.79Å; T214-E252 VanDerWaalsContact CB-OE2 3.26Å; T214-E252 WeakPolarHBondContact CB-OE2 3.27Å; T214-E252 PolarHBondContact OG1-OE1 2.96Å; T214-E252 PolarHBondContact OG1-OE2 2.87Å; S249-E252 PolarHBondContact O-N 2.89Å; E252-I276 WeakPolarHBondContact O-CD1 3.21Å
253R90.2Very high85.4Confident106 Ų10635.7 Ų35.740%0.419%0.19SC..SBendtrans-95.8-34176.5-68.7-167.9-70.4-166.3-2.3113.4S249 C251 I276S249-R253 PolarHBondContact OG-N 3.29Å; S249-R253 VanDerWaalsContact OG-N 3.13Å; C251-R253 VanDerWaalsContact C-N 3.26Å; C251-R253 HydrophobicContact CB-CG 4.49Å; C251-R253 PolarHBondContact O-N 3.46Å; C251-R253 PolarHBondContact SG-NE 2.91Å; C251-R253 VanDerWaalsContact SG-NE 3.38Å; R253-I276 WeakPolarHBondContact O-CB 3.38Å; R253-I276 PolarHBondContact O-N 3.4Å
254Y92.4Very high83.9Confident12 Ų1239.2 Ų39.25%0.04721%0.212CC..EExtended strand (participates in β ladder)trans-125.1146.6-178.1-52.1-71000111.1S249 W274 D275 W298 T318 P319 M321S249-Y254 WeakPolarHBondContact CB-O 3.4Å; S249-Y254 PolarHBondContact N-O 3.32Å; S249-Y254 PolarHBondContact OG-N 3.49Å; S249-Y254 PolarHBondContact OG-O 2.96Å; Y254-W274 VanDerWaalsContact CA-O 3.24Å; Y254-W274 WeakPolarHBondContact CA-O 3.16Å; Y254-D275 HydrophobicContact CD1-CB 4.16Å; Y254-D275 HydrophobicContact CE1-CB 4.18Å; Y254-W298 AromaticContact CD2-CH2 3.83Å; Y254-W298 HydrophobicContact CD2-CH2 3.83Å; Y254-W298 AromaticContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CG-CH2 4.04Å; Y254-T318 HydrophobicContact CD2-CG2 4.19Å; Y254-T318 HydrophobicContact CE2-CG2 3.65Å; Y254-P319 WeakPolarHBondContact OH-CA 3.45Å; Y254-M321 HydrophobicContact CD1-CE 3.23Å; Y254-M321 HydrophobicContact CD2-CE 3.91Å; Y254-M321 HydrophobicContact CE1-CE 3.18Å; Y254-M321 HydrophobicContact CE2-CE 3.87Å; Y254-M321 HydrophobicContact CG-CE 3.6Å
255V92.7Very high82.5Confident0 Ų047.2 Ų47.20%024%0.241CC..EExtended strand (participates in β ladder)trans-120.9135.4167.578.50000109.3F238 D247 F248 T257 W274 I276F238-V255 HydrophobicContact CD2-CG1 3.84Å; F238-V255 HydrophobicContact CE2-CG1 3.4Å; F238-V255 HydrophobicContact CZ-CG1 3.8Å; D247-V255 WeakPolarHBondContact O-CG2 3.47Å; F248-V255 HydrophobicContact CD1-CB 4.08Å; F248-V255 HydrophobicContact CD1-CG2 3.72Å; F248-V255 HydrophobicContact CD2-CG2 4.43Å; F248-V255 HydrophobicContact CE1-CB 4.11Å; F248-V255 HydrophobicContact CE1-CG2 3.69Å; F248-V255 HydrophobicContact CE2-CG2 4.4Å; F248-V255 HydrophobicContact CG-CG2 4.12Å; F248-V255 HydrophobicContact CZ-CG2 4.06Å; V255-T257 HydrophobicContact CG1-CG2 4.28Å; V255-W274 HydrophobicContact CG1-CB 3.85Å; V255-W274 HydrophobicContact CG1-CG 4.29Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.1Å; V255-I276 HydrophobicContact CB-CD1 4.18Å; V255-I276 HydrophobicContact CB-CG1 4.16Å; V255-I276 HydrophobicContact CG1-CG1 4.44Å
256V92.3Very high80.7Confident1 Ų153 Ų531%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-103.7132.9175.2-170.40000107.2I246 D247 I271 I273 W293 F296 W298I246-V256 CarbonylContact C-O 3.45Å; I246-V256 WeakPolarHBondContact CA-O 3.34Å; D247-V256 PolarHBondContact N-O 2.85Å; D247-V256 PolarHBondContact O-N 3.34Å; V256-I271 HydrophobicContact CG1-CG2 3.56Å; V256-I273 HydrophobicContact CG1-CG1 4.32Å; V256-I273 HydrophobicContact CG2-CG1 4.2Å; V256-W293 HydrophobicContact CB-CH2 4.35Å; V256-W293 HydrophobicContact CG1-CH2 3.85Å; V256-F296 HydrophobicContact CG1-CD2 4.18Å; V256-W298 HydrophobicContact CG2-CZ2 3.73Å
257T91.6Very high79.1Confident0 Ų056.6 Ų56.60%029%0.286CS..EExtended strand (participates in β ladder)trans-125.6139.1-177.461.50000108.3I224 H240 I246 V255 I271 I272 W274I224-T257 HydrophobicContact CD1-CG2 3.21Å; H240-T257 PolarHBondContact ND1-OG1 3.14Å; I246-T257 HydrophobicContact CG2-CG2 4.21Å; V255-T257 HydrophobicContact CG1-CG2 4.28Å; T257-I271 CarbonylContact O-C 3.43Å; T257-I271 VanDerWaalsContact O-CA 3.32Å; T257-I271 WeakPolarHBondContact O-CA 3.49Å; T257-I272 PolarHBondContact N-O 2.91Å; T257-I272 PolarHBondContact O-N 2.67Å; T257-I272 PolarHBondContact OG1-O 3.13Å; T257-W274 PolarHBondContact OG1-NE1 2.9Å
258F89.2Confident77.6Confident15 Ų1557.2 Ų57.27%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-129.7120.8-176.3171.5-109.8000110.8V243 S244 L245 P260 A270 I271 C287 W293V243-F258 WeakPolarHBondContact CA-O 3.41Å; V243-F258 WeakPolarHBondContact CG1-O 3.01Å; S244-F258 PolarHBondContact N-O 3.21Å; L245-F258 HydrophobicContact CB-CB 4.24Å; L245-F258 HydrophobicContact CB-CD1 4.1Å; L245-F258 HydrophobicContact CD1-CD1 3.88Å; L245-F258 HydrophobicContact CD1-CE1 4.3Å; L245-F258 HydrophobicContact CG-CD1 4.28Å; L245-F258 PolarHBondContact N-O 2.75Å; L245-F258 PolarHBondContact O-N 3.09Å; F258-P260 HydrophobicContact CE1-CB 4.41Å; F258-A270 WeakPolarHBondContact CA-O 3.4Å; F258-A270 HydrophobicContact CE2-CB 4.44Å; F258-I271 HydrophobicContact CD2-CG1 3.59Å; F258-I271 HydrophobicContact CE2-CG1 4.2Å; F258-C287 HydrophobicContact CE2-CB 3.95Å; F258-W293 HydrophobicContact CB-CE3 4.13Å; F258-W293 HydrophobicContact CB-CH2 3.67Å; F258-W293 HydrophobicContact CB-CZ3 3.44Å; F258-W293 VanDerWaalsContact CB-CZ3 3.44Å; F258-W293 HydrophobicContact CG-CE3 4.32Å; F258-W293 AromaticContact CG-CZ3 3.97Å; F258-W293 HydrophobicContact CG-CZ3 3.97Å
259S85.2Confident76.5Confident0 Ų058.6 Ų58.60%030%0.297CS..  trans-102129.116864.70000109.5H240 L261 A270H240-S259 VanDerWaalsContact NE2-CB 3.34Å; H240-S259 WeakPolarHBondContact NE2-CB 3.39Å; H240-S259 PolarHBondContact NE2-OG 2.76Å; S259-L261 WeakPolarHBondContact CB-O 3.43Å; S259-L261 PolarHBondContact OG-O 2.9Å; S259-A270 PolarHBondContact N-O 3.03Å; S259-A270 PolarHBondContact OG-O 2.72Å
260P78.2Confident76Confident80 Ų8058.7 Ų58.752%0.51930%0.299SS..SBendtrans-75.8-17.8165.131.1-31.9000111.1G242 S244 F258G242-P260 WeakPolarHBondContact O-CD 3.33Å; S244-P260 WeakPolarHBondContact OG-CD 3.3Å; F258-P260 HydrophobicContact CE1-CB 4.41Å
261L71.1Confident76Confident117 Ų11756.4 Ų56.461%0.61328%0.283SS*.SBendtrans-83.5119174.6-62.8176.5000108.7S259 D263S259-L261 WeakPolarHBondContact CB-O 3.43Å; S259-L261 PolarHBondContact OG-O 2.9Å; L261-D263 PolarHBondContact O-N 2.94Å
262M61.7Low76.2Confident121 Ų12155.5 Ų55.560%0.59628%0.277SS*.  trans-64.5106.7175.3-66.6-88.8-17800108.7T264 P268M262-T264 PolarHBondContact O-N 2.88Å; M262-P268 HydrophobicContact SD-CB 4.08Å
263D55.5Low76.3Confident59 Ų5954.7 Ų54.732%0.31627%0.273SS..  trans-78109.1178.9-158.41.4000108.8L261L261-D263 PolarHBondContact O-N 2.94Å
264T57.2Low76.4Confident90 Ų9050.6 Ų50.655%0.55226%0.258SS*.  trans56.9143.8-179.6620000117.4M262 E266M262-T264 PolarHBondContact O-N 2.88Å; T264-E266 PolarHBondContact O-N 2.98Å
265K53.8Low76.4Confident212 Ų21250.8 Ų50.892%0.92226%0.259SS*.SBendtrans-71-16.7179.9-70.8-177.1179.2178.10113.8
266E51.3Low76.3Confident175 Ų17551 Ų5182%0.81826%0.26SS*.SBendtrans-87.9-29.2-171.8-69-179173.200113.4T264T264-E266 PolarHBondContact O-N 2.98Å
267D56.7Low76Confident76 Ų7656.6 Ų56.641%0.40629%0.29SS..  trans-144.780.6178.4-17023.1000111.1Q269 K281D267-Q269 VanDerWaalsContact CG-CD 3.45Å; D267-Q269 PolarHBondContact O-N 2.87Å; D267-Q269 VanDerWaalsContact OD1-CD 3.25Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.45Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 2.8Å; D267-K281 IonicContact OD2-NZ 3.03Å
268P62Low75.7Confident33 Ų3359 Ų5921%0.21431%0.305CS..  trans-7575.6-171.7-1.516.1000111.2M262 A270 H286M262-P268 HydrophobicContact SD-CB 4.08Å; P268-A270 PolarHBondContact O-N 3.28Å; P268-H286 WeakPolarHBondContact CB-CE1 3.46Å; P268-H286 WeakPolarHBondContact CB-NE2 3.32Å; P268-H286 WeakPolarHBondContact CG-CE1 3.43Å; P268-H286 PolarHBondContact O-CE1 3.01Å; P268-H286 PolarHBondContact O-ND1 2.84Å
269Q69.6Low75.5Confident37 Ų3759.1 Ų59.117%0.17331%0.309CS..  trans-10271.4-179.3-66-177.59.500109.9D267 I271 I272 G284D267-Q269 VanDerWaalsContact CG-CD 3.45Å; D267-Q269 PolarHBondContact O-N 2.87Å; D267-Q269 VanDerWaalsContact OD1-CD 3.25Å; D267-Q269 VanDerWaalsContact OD1-CG 3.26Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.45Å; D267-Q269 PolarHBondContact OD1-NE2 2.88Å; D267-Q269 PolarHBondContact OD2-NE2 2.8Å; Q269-I271 PolarHBondContact O-N 2.88Å; Q269-I271 VanDerWaalsContact O-N 3.11Å; Q269-I272 HydrophobicContact CB-CG1 4.36Å; Q269-I272 WeakPolarHBondContact O-CG1 3.32Å; Q269-G284 VanDerWaalsContact OE1-CA 3.26Å
270A81.8Confident75.6Confident3 Ų364.4 Ų64.43%0.02533%0.334CS..SBendtrans-55.1-27.6176.600000113.1F258 S259 P268 F285 C287F258-A270 WeakPolarHBondContact CA-O 3.4Å; F258-A270 HydrophobicContact CE2-CB 4.44Å; S259-A270 PolarHBondContact N-O 3.03Å; S259-A270 PolarHBondContact OG-O 2.72Å; P268-A270 PolarHBondContact O-N 3.28Å; A270-F285 PolarHBondContact N-O 3.47Å; A270-C287 HydrophobicContact CB-CB 3.64Å
271I87.9Confident76.1Confident2 Ų265 Ų651%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-119.7121.5179.6-49.6136000109V256 T257 F258 Q269 G284 F285 H286 C287 I295 F296V256-I271 HydrophobicContact CG1-CG2 3.56Å; T257-I271 CarbonylContact O-C 3.43Å; T257-I271 VanDerWaalsContact O-CA 3.32Å; T257-I271 WeakPolarHBondContact O-CA 3.49Å; F258-I271 HydrophobicContact CD2-CG1 3.59Å; F258-I271 HydrophobicContact CE2-CG1 4.2Å; Q269-I271 PolarHBondContact O-N 2.88Å; Q269-I271 VanDerWaalsContact O-N 3.11Å; I271-G284 CarbonylContact O-C 3.55Å; I271-G284 WeakPolarHBondContact O-CA 3.46Å; I271-F285 HydrophobicContact CB-CB 4.26Å; I271-F285 HydrophobicContact CD1-CB 4.25Å; I271-F285 PolarHBondContact N-O 3.32Å; I271-F285 PolarHBondContact O-N 2.87Å; I271-H286 WeakPolarHBondContact CD1-O 3.36Å; I271-C287 HydrophobicContact CD1-CB 4.04Å; I271-I295 HydrophobicContact CB-CD1 4.34Å; I271-I295 HydrophobicContact CD1-CD1 3.06Å; I271-I295 HydrophobicContact CG1-CD1 3.42Å; I271-I295 VanDerWaalsContact CG1-CD1 3.42Å; I271-I295 HydrophobicContact CG2-CD1 4.12Å; I271-F296 HydrophobicContact CB-CE2 4.37Å; I271-F296 HydrophobicContact CD1-CE2 4.4Å; I271-F296 HydrophobicContact CG2-CD2 3.88Å; I271-F296 HydrophobicContact CG2-CE2 3.71Å
272I89.9Confident77Confident9 Ų963.5 Ų63.55%0.04632%0.317CS..EExtended strand (participates in β ladder)trans-120.8128.9-179.8-52.5178.3000109.9T257 Q269 W274 K281T257-I272 PolarHBondContact N-O 2.91Å; T257-I272 PolarHBondContact O-N 2.67Å; T257-I272 PolarHBondContact OG1-O 3.13Å; Q269-I272 HydrophobicContact CB-CG1 4.36Å; Q269-I272 WeakPolarHBondContact O-CG1 3.32Å; I272-W274 HydrophobicContact CB-CZ2 4.14Å; I272-W274 HydrophobicContact CD1-CZ2 3.99Å; I272-W274 HydrophobicContact CG2-CD2 4.01Å; I272-W274 HydrophobicContact CG2-CG 4.38Å; I272-W274 HydrophobicContact CG2-CH2 4.38Å; I272-W274 HydrophobicContact CG2-CZ2 3.58Å; I272-K281 HydrophobicContact CG2-CB 4.42Å; I272-K281 HydrophobicContact CG2-CD 3.84Å; I272-K281 HydrophobicContact CG2-CG 3.6Å
273I91.8Very high78.2Confident0 Ų062.5 Ų62.50%031%0.307CS..EExtended strand (participates in β ladder)trans-97.5121.6171.7-52-171.6000108.7V256 K282 R283 F285 W298 F305 M321V256-I273 HydrophobicContact CG1-CG1 4.32Å; V256-I273 HydrophobicContact CG2-CG1 4.2Å; I273-K282 PolarHBondContact O-N 3.25Å; I273-R283 PolarHBondContact N-O 3.29Å; I273-R283 PolarHBondContact O-N 2.63Å; I273-F285 HydrophobicContact CD1-CD2 4.25Å; I273-F285 HydrophobicContact CD1-CE2 3.58Å; I273-F285 HydrophobicContact CG1-CD2 4.35Å; I273-F285 HydrophobicContact CG1-CE2 4.08Å; I273-W298 HydrophobicContact CG2-CZ2 4.46Å; I273-F305 HydrophobicContact CD1-CD2 4.2Å; I273-F305 HydrophobicContact CD1-CE2 3.51Å; I273-F305 HydrophobicContact CD1-CZ 3.69Å; I273-M321 HydrophobicContact CG2-CE 3.89Å; I273-M321 HydrophobicContact CG2-SD 4.39Å
274W92.1Very high79.7Confident21 Ų2160.4 Ų60.48%0.0830%0.299CS..EExtended strand (participates in β ladder)trans-110.2146.5178.3-51.383.8000110.1F238 H240 Y254 V255 T257 I272 K281F238-W274 HydrophobicContact CB-CD2 3.97Å; F238-W274 HydrophobicContact CB-CE3 4.32Å; F238-W274 HydrophobicContact CB-CG 4.33Å; F238-W274 HydrophobicContact CB-CZ2 4.32Å; F238-W274 HydrophobicContact CD1-CB 3.65Å; F238-W274 AromaticContact CD1-CD2 3.52Å; F238-W274 HydrophobicContact CD1-CD2 3.52Å; F238-W274 AromaticContact CD1-CE3 3.52Å; F238-W274 HydrophobicContact CD1-CE3 3.52Å; F238-W274 AromaticContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CG 3.59Å; F238-W274 HydrophobicContact CD1-CZ3 4.35Å; F238-W274 HydrophobicContact CE1-CB 3.5Å; F238-W274 HydrophobicContact CE1-CD2 4.29Å; F238-W274 HydrophobicContact CE1-CE3 4.28Å; F238-W274 AromaticContact CE1-CG 4Å; F238-W274 HydrophobicContact CE1-CG 4Å; F238-W274 HydrophobicContact CG-CB 4.29Å; F238-W274 AromaticContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CD2 3.96Å; F238-W274 HydrophobicContact CG-CE3 4.29Å; F238-W274 AromaticContact CG-CG 3.94Å; F238-W274 HydrophobicContact CG-CG 3.94Å; F238-W274 HydrophobicContact CZ-CB 4.05Å; H240-W274 HydrophobicContact CB-CZ2 4.05Å; Y254-W274 VanDerWaalsContact CA-O 3.24Å; Y254-W274 WeakPolarHBondContact CA-O 3.16Å; V255-W274 HydrophobicContact CG1-CB 3.85Å; V255-W274 HydrophobicContact CG1-CG 4.29Å; V255-W274 PolarHBondContact N-O 2.77Å; V255-W274 PolarHBondContact O-N 3.1Å; T257-W274 PolarHBondContact OG1-NE1 2.9Å; I272-W274 HydrophobicContact CB-CZ2 4.14Å; I272-W274 HydrophobicContact CD1-CZ2 3.99Å; I272-W274 HydrophobicContact CG2-CD2 4.01Å; I272-W274 HydrophobicContact CG2-CG 4.38Å; I272-W274 HydrophobicContact CG2-CH2 4.38Å; I272-W274 HydrophobicContact CG2-CZ2 3.58Å; W274-K281 HydrophobicContact CE3-CB 3.89Å; W274-K281 HydrophobicContact CH2-CB 4.14Å; W274-K281 HydrophobicContact CZ3-CB 3.66Å
275D92.4Very high81.1Confident16 Ų1656.9 Ų56.99%0.08628%0.276CS..EExtended strand (participates in β ladder)trans-90125167.6174.83.4000109.3Y254 L277 T278 G279 Q280 K282Y254-D275 HydrophobicContact CD1-CB 4.16Å; Y254-D275 HydrophobicContact CE1-CB 4.18Å; D275-L277 PolarHBondContact OD1-N 2.88Å; D275-L277 VanDerWaalsContact OD1-N 3.09Å; D275-T278 VanDerWaalsContact CB-OG1 3.29Å; D275-T278 WeakPolarHBondContact CB-OG1 3.05Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.39Å; D275-T278 PolarHBondContact OD2-OG1 3.16Å; D275-G279 VanDerWaalsContact O-CA 3.26Å; D275-G279 WeakPolarHBondContact O-CA 3.48Å; D275-G279 PolarHBondContact O-N 2.91Å; D275-Q280 PolarHBondContact N-O 2.89Å; D275-K282 HydrophobicContact CB-CD 4.2Å; D275-K282 HydrophobicContact CB-CG 3.78Å; D275-K282 WeakPolarHBondContact OD2-CE 3.17Å; D275-K282 IonicContact OD2-NZ 3.47Å; D275-K282 PolarHBondContact OD2-NZ 2.85Å
276I90.3Very high82.4Confident4 Ų451.6 Ų51.62%0.02125%0.254CS..THydrogen-bonded Turntrans-71.9-33.3-173.2-64.9169.8000110.9Y215 L226 Q236 F238 F248 E252 R253 V255Y215-I276 HydrophobicContact CD2-CG2 4.35Å; Y215-I276 HydrophobicContact CE2-CG2 3.82Å; L226-I276 HydrophobicContact CD1-CG1 4.2Å; L226-I276 HydrophobicContact CD1-CG2 3.77Å; Q236-I276 WeakPolarHBondContact CG-O 3.13Å; F238-I276 HydrophobicContact CZ-CG1 4.47Å; F248-I276 HydrophobicContact CD1-CD1 3.8Å; F248-I276 HydrophobicContact CE1-CD1 3.94Å; E252-I276 WeakPolarHBondContact O-CD1 3.21Å; R253-I276 WeakPolarHBondContact O-CB 3.38Å; R253-I276 PolarHBondContact O-N 3.4Å; V255-I276 HydrophobicContact CB-CD1 4.18Å; V255-I276 HydrophobicContact CB-CG1 4.16Å; V255-I276 HydrophobicContact CG1-CG1 4.44Å
277L86Confident83.4Confident119 Ų11944.5 Ų44.562%0.62322%0.224SC*.THydrogen-bonded Turntrans-74.9-47.2-178.2-63.4175.2000110.8Q236 D275Q236-L277 PolarHBondContact NE2-O 3.4Å; D275-L277 PolarHBondContact OD1-N 2.88Å; D275-L277 VanDerWaalsContact OD1-N 3.09Å
278T85.1Confident83.8Confident51 Ų5148.7 Ų48.731%0.31324%0.241SC..THydrogen-bonded Turntrans-85.1-19.6-176.759.60000113.4D275 Q280D275-T278 VanDerWaalsContact CB-OG1 3.29Å; D275-T278 WeakPolarHBondContact CB-OG1 3.05Å; D275-T278 WeakPolarHBondContact OD2-CG2 3.39Å; D275-T278 PolarHBondContact OD2-OG1 3.16Å; T278-Q280 PolarHBondContact O-N 2.88Å; T278-Q280 PolarHBondContact OG1-N 2.87Å
279G85.8Confident83.9Confident16 Ų1651.4 Ų51.417%0.16526%0.261CS..  trans730.2-173.100000113.8D275D275-G279 VanDerWaalsContact O-CA 3.26Å; D275-G279 WeakPolarHBondContact O-CA 3.48Å; D275-G279 PolarHBondContact O-N 2.91Å
280Q87.1Confident83.3Confident112 Ų11254.2 Ų54.252%0.52329%0.285SS..  trans-88.2145.1-171.7-66.7-177.4-200112.4D275 T278 K282D275-Q280 PolarHBondContact N-O 2.89Å; T278-Q280 PolarHBondContact O-N 2.88Å; T278-Q280 PolarHBondContact OG1-N 2.87Å; Q280-K282 PolarHBondContact O-N 3.23Å
281K90.1Very high82Confident92 Ų9257.3 Ų57.340%0.431%0.31SS..EExtended strand (participates in β ladder)trans-66.6113.1168.4176.6170.6178.2-172.60108.8D267 I272 W274D267-K281 IonicContact OD2-NZ 3.03Å; I272-K281 HydrophobicContact CG2-CB 4.42Å; I272-K281 HydrophobicContact CG2-CD 3.84Å; I272-K281 HydrophobicContact CG2-CG 3.6Å; W274-K281 HydrophobicContact CE3-CB 3.89Å; W274-K281 HydrophobicContact CH2-CB 4.14Å; W274-K281 HydrophobicContact CZ3-CB 3.66Å
282K88.8Confident81.1Confident85 Ų8565.1 Ų65.137%0.3735%0.346SS..EExtended strand (participates in β ladder)trans-83.8-48.1177.7-68.9-67.8-176.9-1760111.3I273 D275 Q280 M321I273-K282 PolarHBondContact O-N 3.25Å; D275-K282 HydrophobicContact CB-CD 4.2Å; D275-K282 HydrophobicContact CB-CG 3.78Å; D275-K282 WeakPolarHBondContact OD2-CE 3.17Å; D275-K282 IonicContact OD2-NZ 3.47Å; D275-K282 PolarHBondContact OD2-NZ 2.85Å; Q280-K282 PolarHBondContact O-N 3.23Å; K282-M321 HydrophobicContact CB-CE 4.47Å; K282-M321 HydrophobicContact CB-CG 3.9Å; K282-M321 HydrophobicContact CG-CE 4.47Å
283R86.9Confident80.5Confident101 Ų10167.6 Ų67.638%0.38136%0.355SS..EExtended strand (participates in β ladder)trans-157.8144.6-176.9-158161.5-165.4178.96.4110.9I273 F285 M321I273-R283 PolarHBondContact N-O 3.29Å; I273-R283 PolarHBondContact O-N 2.63Å; R283-F285 HydrophobicContact CB-CE2 4.1Å; R283-F285 HydrophobicContact CG-CE2 3.96Å; R283-F285 HydrophobicContact CG-CZ 4Å; R283-M321 HydrophobicContact CB-CB 4.25Å; R283-M321 PolarHBondContact NH1-O 3.26Å
284G87.8Confident80Confident15 Ų1569.8 Ų69.816%0.15537%0.369CS..EExtended strand (participates in β ladder)trans-114.7155166.300000112.3Q269 I271Q269-G284 VanDerWaalsContact OE1-CA 3.26Å; I271-G284 CarbonylContact O-C 3.55Å; I271-G284 WeakPolarHBondContact O-CA 3.46Å
285F85Confident79.7Confident15 Ų1570.3 Ų70.37%0.06637%0.373CS..EExtended strand (participates in β ladder)trans-134.4145.9-178.1-64.2-88.5000110.1A270 I271 I273 R283 F296 F305 Y316A270-F285 PolarHBondContact N-O 3.47Å; I271-F285 HydrophobicContact CB-CB 4.26Å; I271-F285 HydrophobicContact CD1-CB 4.25Å; I271-F285 PolarHBondContact N-O 3.32Å; I271-F285 PolarHBondContact O-N 2.87Å; I273-F285 HydrophobicContact CD1-CD2 4.25Å; I273-F285 HydrophobicContact CD1-CE2 3.58Å; I273-F285 HydrophobicContact CG1-CD2 4.35Å; I273-F285 HydrophobicContact CG1-CE2 4.08Å; R283-F285 HydrophobicContact CB-CE2 4.1Å; R283-F285 HydrophobicContact CG-CE2 3.96Å; R283-F285 HydrophobicContact CG-CZ 4Å; F285-F296 HydrophobicContact CB-CE2 4.11Å; F285-F296 HydrophobicContact CB-CZ 4.01Å; F285-F296 AromaticContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD2-CE1 4.42Å; F285-F296 AromaticContact CD2-CE2 3.66Å; F285-F296 HydrophobicContact CD2-CE2 3.66Å; F285-F296 AromaticContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CE1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CZ 4.04Å; F285-F296 HydrophobicContact CE2-CE1 4.28Å; F285-F296 HydrophobicContact CE2-CE2 4.2Å; F285-F296 AromaticContact CE2-CZ 3.65Å; F285-F296 HydrophobicContact CE2-CZ 3.65Å; F285-F296 AromaticContact CG-CE2 3.91Å; F285-F296 HydrophobicContact CG-CE2 3.91Å; F285-F296 AromaticContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CG-CZ 3.46Å; F285-F296 VanDerWaalsContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CZ-CE1 4.3Å; F285-F296 AromaticContact CZ-CZ 3.95Å; F285-F296 HydrophobicContact CZ-CZ 3.95Å; F285-F305 HydrophobicContact CE2-CE2 4.2Å; F285-F305 HydrophobicContact CZ-CE2 4.07Å; F285-F305 HydrophobicContact CZ-CZ 4.31Å; F285-Y316 HydrophobicContact CE1-CD1 4.44Å; F285-Y316 AromaticContact CE1-CE1 3.74Å; F285-Y316 HydrophobicContact CE1-CE1 3.74Å; F285-Y316 AromaticContact CE1-CE2 3.97Å; F285-Y316 HydrophobicContact CE1-CE2 3.97Å; F285-Y316 AromaticContact CE1-CZ 3.47Å; F285-Y316 VanDerWaalsContact CE1-CZ 3.47Å; F285-Y316 WeakPolarHBondContact CE1-OH 3.32Å; F285-Y316 HydrophobicContact CZ-CD1 4.31Å; F285-Y316 HydrophobicContact CZ-CD2 4.46Å; F285-Y316 HydrophobicContact CZ-CE1 4.05Å; F285-Y316 HydrophobicContact CZ-CE2 4.22Å
286H81.9Confident79.5Confident101 Ų10169.6 Ų69.647%0.46837%0.369SS..  trans-70.1146.5169.1-110.379.2000111.5P268 I271 R307P268-H286 WeakPolarHBondContact CB-CE1 3.46Å; P268-H286 WeakPolarHBondContact CB-NE2 3.32Å; P268-H286 WeakPolarHBondContact CG-CE1 3.43Å; P268-H286 PolarHBondContact O-CE1 3.01Å; P268-H286 PolarHBondContact O-ND1 2.84Å; I271-H286 WeakPolarHBondContact CD1-O 3.36Å; H286-R307 PolarHBondContact O-NH1 3.12Å; H286-R307 VanDerWaalsContact O-NH1 3.16Å
287C73.3Confident79.5Confident26 Ų2672.1 Ų72.118%0.17638%0.38CS..  trans-100.2117.6167.1-172.30000109.2F258 A270 I271F258-C287 HydrophobicContact CE2-CB 3.95Å; A270-C287 HydrophobicContact CB-CB 3.64Å; I271-C287 HydrophobicContact CD1-CB 4.04Å
288E64.3Low79.8Confident165 Ų16567.3 Ų67.377%0.77135%0.354SS*.SBendtrans-98.1-30.3-178.5-164.3166.1-163.300112
289S64.1Low80.2Confident89 Ų8964.9 Ų64.962%0.62234%0.339SS*.  trans-159.8135.6173.9-177.50000111.3A291S289-A291 PolarHBondContact O-N 3Å
290S56.2Low80.4Confident97 Ų9767.6 Ų67.668%0.67835%0.347SS*.  trans-81.757179.3178.80000111.3
291A55.6Low80.4Confident67 Ų6764.5 Ų64.555%0.55433%0.334SS*.  trans-65.8-59.8-175.200000111.5S289S289-A291 PolarHBondContact O-N 3Å
292H69.1Low80.2Confident167 Ų16760.1 Ų60.177%0.77332%0.315SS*.SBendtrans-159.7143.1172.3-69.8-68.3000111.2I295H292-I295 WeakPolarHBondContact O-CG2 3.44Å
293W76.5Confident80.3Confident60 Ų6060.4 Ų60.423%0.22732%0.316CS..SBendtrans-90.8142.3171.3-175.2-102000110.8L245 I246 D247 V256 F258 I295L245-W293 HydrophobicContact CB-CD2 3.98Å; L245-W293 HydrophobicContact CB-CE3 4.48Å; L245-W293 HydrophobicContact CB-CG 4.25Å; L245-W293 HydrophobicContact CB-CZ2 4.29Å; L245-W293 HydrophobicContact CD1-CB 3.7Å; L245-W293 HydrophobicContact CD1-CD2 4.02Å; L245-W293 HydrophobicContact CD1-CE3 4.4Å; L245-W293 HydrophobicContact CD1-CG 3.71Å; L245-W293 HydrophobicContact CG-CG 4.45Å; I246-W293 PolarHBondContact O-NE1 3.09Å; D247-W293 HydrophobicContact CB-CZ2 3.49Å; D247-W293 VanDerWaalsContact CB-CZ2 3.49Å; V256-W293 HydrophobicContact CB-CH2 4.35Å; V256-W293 HydrophobicContact CG1-CH2 3.85Å; F258-W293 HydrophobicContact CB-CE3 4.13Å; F258-W293 HydrophobicContact CB-CH2 3.67Å; F258-W293 HydrophobicContact CB-CZ3 3.44Å; F258-W293 VanDerWaalsContact CB-CZ3 3.44Å; F258-W293 HydrophobicContact CG-CE3 4.32Å; F258-W293 AromaticContact CG-CZ3 3.97Å; F258-W293 HydrophobicContact CG-CZ3 3.97Å; W293-I295 HydrophobicContact CE3-CG1 4.11Å; W293-I295 HydrophobicContact CE3-CG2 4.46Å; W293-I295 HydrophobicContact CZ3-CD1 4.06Å; W293-I295 HydrophobicContact CZ3-CG1 3.8Å
294P82.8Confident80.6Confident46 Ų4655.7 Ų55.730%0.29930%0.299SS..  cis-76.4131.9-3.9-16.632.5000113.9
295I84Confident80.8Confident32 Ų3255 Ų5516%0.16429%0.291CS..SBendtrans-73.7-31.3174.359.8179.1000112.4I271 H292 W293I271-I295 HydrophobicContact CB-CD1 4.34Å; I271-I295 HydrophobicContact CD1-CD1 3.06Å; I271-I295 HydrophobicContact CG1-CD1 3.42Å; I271-I295 VanDerWaalsContact CG1-CD1 3.42Å; I271-I295 HydrophobicContact CG2-CD1 4.12Å; H292-I295 WeakPolarHBondContact O-CG2 3.44Å; W293-I295 HydrophobicContact CE3-CG1 4.11Å; W293-I295 HydrophobicContact CE3-CG2 4.46Å; W293-I295 HydrophobicContact CZ3-CD1 4.06Å; W293-I295 HydrophobicContact CZ3-CG1 3.8Å
296F88.7Confident81.1Confident2 Ų254.3 Ų54.31%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-102.9107.3176.2-79.2-66.4000107.1V256 I271 F285 F305 A306 R307 Y316V256-F296 HydrophobicContact CG1-CD2 4.18Å; I271-F296 HydrophobicContact CB-CE2 4.37Å; I271-F296 HydrophobicContact CD1-CE2 4.4Å; I271-F296 HydrophobicContact CG2-CD2 3.88Å; I271-F296 HydrophobicContact CG2-CE2 3.71Å; F285-F296 HydrophobicContact CB-CE2 4.11Å; F285-F296 HydrophobicContact CB-CZ 4.01Å; F285-F296 AromaticContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD1-CZ 3.8Å; F285-F296 HydrophobicContact CD2-CE1 4.42Å; F285-F296 AromaticContact CD2-CE2 3.66Å; F285-F296 HydrophobicContact CD2-CE2 3.66Å; F285-F296 AromaticContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CD2-CZ 3.39Å; F285-F296 HydrophobicContact CE1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CZ 4.04Å; F285-F296 HydrophobicContact CE2-CE1 4.28Å; F285-F296 HydrophobicContact CE2-CE2 4.2Å; F285-F296 AromaticContact CE2-CZ 3.65Å; F285-F296 HydrophobicContact CE2-CZ 3.65Å; F285-F296 AromaticContact CG-CE2 3.91Å; F285-F296 HydrophobicContact CG-CE2 3.91Å; F285-F296 AromaticContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CG-CZ 3.46Å; F285-F296 VanDerWaalsContact CG-CZ 3.46Å; F285-F296 HydrophobicContact CZ-CE1 4.3Å; F285-F296 AromaticContact CZ-CZ 3.95Å; F285-F296 HydrophobicContact CZ-CZ 3.95Å; F296-F305 AromaticContact CD1-CD2 3.47Å; F296-F305 HydrophobicContact CD1-CD2 3.47Å; F296-F305 VanDerWaalsContact CD1-CD2 3.47Å; F296-F305 AromaticContact CD1-CE2 3.86Å; F296-F305 HydrophobicContact CD1-CE2 3.86Å; F296-F305 AromaticContact CE1-CD2 3.8Å; F296-F305 HydrophobicContact CE1-CD2 3.8Å; F296-F305 AromaticContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CG-CD2 4.23Å; F296-F305 HydrophobicContact CZ-CE2 4.47Å; F296-A306 WeakPolarHBondContact CA-O 3.49Å; F296-R307 HydrophobicContact CD1-CB 3.71Å; F296-R307 HydrophobicContact CD1-CG 4.44Å; F296-R307 HydrophobicContact CE1-CB 3.46Å; F296-R307 VanDerWaalsContact CE1-CB 3.46Å; F296-R307 HydrophobicContact CE1-CG 4.13Å; F296-R307 HydrophobicContact CZ-CB 4.2Å; F296-R307 HydrophobicContact CZ-CG 4.42Å; F296-Y316 HydrophobicContact CE1-CD2 4.21Å; F296-Y316 AromaticContact CE1-CE2 3.97Å; F296-Y316 HydrophobicContact CE1-CE2 3.97Å
297K91.1Very high81.5Confident56 Ų5651.8 Ų51.824%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-96127.4175.5-54.1-175.9-173.3-179.70108F305 A306 D336 F337 W339K297-F305 WeakPolarHBondContact O-CA 3.33Å; K297-A306 PolarHBondContact N-O 2.86Å; K297-A306 VanDerWaalsContact N-O 3.15Å; K297-A306 PolarHBondContact O-N 2.9Å; K297-D336 IonicContact NZ-OD1 3.98Å; K297-D336 PolarHBondContact NZ-OD1 3.19Å; K297-F337 HydrophobicContact CB-CE2 3.77Å; K297-F337 HydrophobicContact CB-CZ 3.87Å; K297-F337 HydrophobicContact CD-CD2 4.43Å; K297-F337 HydrophobicContact CD-CE1 4.22Å; K297-F337 HydrophobicContact CD-CE2 3.95Å; K297-F337 HydrophobicContact CD-CZ 3.83Å; K297-F337 WeakPolarHBondContact CD-O 3.29Å; K297-F337 WeakPolarHBondContact CE-O 3.47Å; K297-F337 HydrophobicContact CG-CE1 4.49Å; K297-F337 HydrophobicContact CG-CE2 4.09Å; K297-F337 HydrophobicContact CG-CZ 3.79Å; K297-F337 PolarHBondContact NZ-O 3.32Å; K297-W339 PolarHBondContact O-NE1 3.35Å
298W92.6Very high82.2Confident19 Ų1953.7 Ų53.77%0.07228%0.282CS..EExtended strand (participates in β ladder)trans-87.9147.9-179.8-68.391.2000111.3P250 Y254 V256 I273 F305 T318 M321P250-W298 VanDerWaalsContact CD-CB 3.47Å; P250-W298 HydrophobicContact CG-CB 4.08Å; Y254-W298 AromaticContact CD2-CH2 3.83Å; Y254-W298 HydrophobicContact CD2-CH2 3.83Å; Y254-W298 AromaticContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CD2-CZ3 3.95Å; Y254-W298 HydrophobicContact CG-CH2 4.04Å; V256-W298 HydrophobicContact CG2-CZ2 3.73Å; I273-W298 HydrophobicContact CG2-CZ2 4.46Å; W298-F305 HydrophobicContact CD2-CB 3.82Å; W298-F305 HydrophobicContact CE3-CB 3.63Å; W298-F305 HydrophobicContact CE3-CD1 4.26Å; W298-F305 HydrophobicContact CE3-CG 4.26Å; W298-F305 HydrophobicContact CG-CB 4.4Å; W298-F305 HydrophobicContact CH2-CB 4.24Å; W298-F305 AromaticContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CE1 4.3Å; W298-F305 HydrophobicContact CH2-CG 4.03Å; W298-F305 HydrophobicContact CZ2-CB 4.43Å; W298-F305 HydrophobicContact CZ2-CG 4.41Å; W298-F305 HydrophobicContact CZ3-CB 3.84Å; W298-F305 AromaticContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CE1 4.44Å; W298-F305 AromaticContact CZ3-CG 3.95Å; W298-F305 HydrophobicContact CZ3-CG 3.95Å; W298-T318 HydrophobicContact CH2-CG2 4.27Å; W298-T318 HydrophobicContact CZ3-CG2 3.68Å; W298-M321 HydrophobicContact CH2-CE 4.35Å
299S93.3Very high83.1Confident0 Ų047.4 Ų47.40%025%0.254CS..PPolyproline II helixtrans-67158.5162.963.40000110.6D301 G302 K303 F304S299-D301 WeakPolarHBondContact CB-OD1 3.31Å; S299-D301 PolarHBondContact O-N 2.72Å; S299-D301 PolarHBondContact OG-OD1 2.95Å; S299-G302 PolarHBondContact O-N 3.4Å; S299-G302 PolarHBondContact OG-N 2.96Å; S299-K303 PolarHBondContact OG-N 3.24Å; S299-F304 PolarHBondContact N-O 2.93Å; S299-F304 PolarHBondContact OG-N 3.41Å; S299-F304 PolarHBondContact OG-O 3.37Å; S299-F304 VanDerWaalsContact OG-O 3.07Å
300H88.4Confident83.9Confident72 Ų7248.1 Ų48.133%0.33326%0.256SS..THydrogen-bonded Turntrans-58.8-33.5-177.573-82.3000113.5P341 N344H300-P341 WeakPolarHBondContact CB-O 3.29Å; H300-N344 PolarHBondContact CE1-OD1 3.39Å; H300-N344 PolarHBondContact ND1-OD1 3.49Å
301D87.5Confident85.3Confident48 Ų4847.3 Ų47.326%0.25724%0.244SC..THydrogen-bonded Turntrans-85.1-10.9176.961.43000113.2S299 K303 N344S299-D301 WeakPolarHBondContact CB-OD1 3.31Å; S299-D301 PolarHBondContact O-N 2.72Å; S299-D301 PolarHBondContact OG-OD1 2.95Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.3Å; D301-K303 WeakPolarHBondContact OD1-CB 3.42Å; D301-K303 PolarHBondContact OD1-N 2.98Å; D301-K303 WeakPolarHBondContact OD2-CB 3.27Å; D301-N344 PolarHBondContact OD1-OD1 2.96Å; D301-N344 PolarHBondContact OD2-ND2 3.29Å
302G87.5Confident86.9Confident0 Ų046.2 Ų46.20%023%0.23CC..SBendtrans63.920.8-171.800000114S299 T318S299-G302 PolarHBondContact O-N 3.4Å; S299-G302 PolarHBondContact OG-N 2.96Å; G302-T318 PolarHBondContact O-OG1 2.8Å
303K90.2Very high87.9Confident91 Ų9138.2 Ų38.240%0.39619%0.193SC..SBendtrans-75.4-35.9173.4-172171.6-178.5177.80111.7S299 D301 T318S299-K303 PolarHBondContact OG-N 3.24Å; D301-K303 PolarHBondContact O-N 3.33Å; D301-K303 VanDerWaalsContact OD1-CB 3.3Å; D301-K303 WeakPolarHBondContact OD1-CB 3.42Å; D301-K303 PolarHBondContact OD1-N 2.98Å; D301-K303 WeakPolarHBondContact OD2-CB 3.27Å; K303-T318 WeakPolarHBondContact CA-OG1 3.26Å; K303-T318 PolarHBondContact O-N 2.87Å; K303-T318 PolarHBondContact O-OG1 3.23Å; K303-T318 VanDerWaalsContact O-OG1 3.13Å
304F92.1Very high88.6Confident2 Ų235.7 Ų35.71%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-121.9151.7179.6-54.9-69.1000110.7S299 I315 Y316 E317 L324 W339 P366S299-F304 PolarHBondContact N-O 2.93Å; S299-F304 PolarHBondContact OG-N 3.41Å; S299-F304 PolarHBondContact OG-O 3.37Å; S299-F304 VanDerWaalsContact OG-O 3.07Å; F304-I315 HydrophobicContact CB-CG2 4.34Å; F304-Y316 WeakPolarHBondContact CA-O 3.39Å; F304-E317 HydrophobicContact CD1-CB 4.26Å; F304-E317 HydrophobicContact CD1-CG 4.32Å; F304-E317 HydrophobicContact CE1-CB 4.26Å; F304-E317 HydrophobicContact CE1-CG 3.98Å; F304-L324 HydrophobicContact CD1-CD1 4.39Å; F304-L324 HydrophobicContact CD1-CD2 4.5Å; F304-L324 HydrophobicContact CE1-CD1 3.77Å; F304-L324 HydrophobicContact CE1-CD2 4.31Å; F304-W339 HydrophobicContact CB-CH2 3.64Å; F304-W339 HydrophobicContact CB-CZ2 4.09Å; F304-W339 HydrophobicContact CB-CZ3 4.44Å; F304-W339 HydrophobicContact CG-CH2 4.44Å; F304-P366 HydrophobicContact CZ-CB 4.3Å
305F92.7Very high89.1Confident0 Ų033.7 Ų33.70%017%0.171CC..EExtended strand (participates in β ladder)trans-140146.4165.164-79.1000108.9I273 F285 F296 K297 W298 Y316 T318 M321I273-F305 HydrophobicContact CD1-CD2 4.2Å; I273-F305 HydrophobicContact CD1-CE2 3.51Å; I273-F305 HydrophobicContact CD1-CZ 3.69Å; F285-F305 HydrophobicContact CE2-CE2 4.2Å; F285-F305 HydrophobicContact CZ-CE2 4.07Å; F285-F305 HydrophobicContact CZ-CZ 4.31Å; F296-F305 AromaticContact CD1-CD2 3.47Å; F296-F305 HydrophobicContact CD1-CD2 3.47Å; F296-F305 VanDerWaalsContact CD1-CD2 3.47Å; F296-F305 AromaticContact CD1-CE2 3.86Å; F296-F305 HydrophobicContact CD1-CE2 3.86Å; F296-F305 AromaticContact CE1-CD2 3.8Å; F296-F305 HydrophobicContact CE1-CD2 3.8Å; F296-F305 AromaticContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CE1-CE2 3.7Å; F296-F305 HydrophobicContact CG-CD2 4.23Å; F296-F305 HydrophobicContact CZ-CE2 4.47Å; K297-F305 WeakPolarHBondContact O-CA 3.33Å; W298-F305 HydrophobicContact CD2-CB 3.82Å; W298-F305 HydrophobicContact CE3-CB 3.63Å; W298-F305 HydrophobicContact CE3-CD1 4.26Å; W298-F305 HydrophobicContact CE3-CG 4.26Å; W298-F305 HydrophobicContact CG-CB 4.4Å; W298-F305 HydrophobicContact CH2-CB 4.24Å; W298-F305 AromaticContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CD1 3.76Å; W298-F305 HydrophobicContact CH2-CE1 4.3Å; W298-F305 HydrophobicContact CH2-CG 4.03Å; W298-F305 HydrophobicContact CZ2-CB 4.43Å; W298-F305 HydrophobicContact CZ2-CG 4.41Å; W298-F305 HydrophobicContact CZ3-CB 3.84Å; W298-F305 AromaticContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CD1 3.59Å; W298-F305 HydrophobicContact CZ3-CE1 4.44Å; W298-F305 AromaticContact CZ3-CG 3.95Å; W298-F305 HydrophobicContact CZ3-CG 3.95Å; F305-Y316 AromaticContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CG 4.3Å; F305-Y316 HydrophobicContact CE1-CG 4.25Å; F305-Y316 AromaticContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CD2 3.44Å; F305-Y316 VanDerWaalsContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CE2 4.33Å; F305-Y316 AromaticContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CZ-CD1 4.44Å; F305-Y316 AromaticContact CZ-CD2 3.96Å; F305-Y316 HydrophobicContact CZ-CD2 3.96Å; F305-Y316 AromaticContact CZ-CG 3.62Å; F305-Y316 HydrophobicContact CZ-CG 3.62Å; F305-Y316 PolarHBondContact N-O 2.84Å; F305-Y316 PolarHBondContact O-N 3.45Å; F305-T318 HydrophobicContact CD1-CG2 4.11Å; F305-T318 HydrophobicContact CE1-CG2 4.23Å; F305-M321 HydrophobicContact CD1-SD 4.31Å; F305-M321 HydrophobicContact CE1-SD 3.32Å; F305-M321 WeakPolarHBondContact CE1-SD 2.9Å; F305-M321 HydrophobicContact CZ-CB 4.47Å; F305-M321 HydrophobicContact CZ-SD 3.71Å
306A91.8Very high89.4Confident0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-126.6148.2-176.500000110.9F296 K297 L313 S314 I315 F337 W339 I346F296-A306 WeakPolarHBondContact CA-O 3.49Å; K297-A306 PolarHBondContact N-O 2.86Å; K297-A306 VanDerWaalsContact N-O 3.15Å; K297-A306 PolarHBondContact O-N 2.9Å; A306-L313 HydrophobicContact CB-CD1 4.26Å; A306-S314 VanDerWaalsContact CA-O 3.32Å; A306-S314 WeakPolarHBondContact CA-O 3.4Å; A306-I315 HydrophobicContact CB-CG1 4.1Å; A306-F337 HydrophobicContact CB-CE2 3.71Å; A306-F337 HydrophobicContact CB-CZ 4.12Å; A306-F337 WeakPolarHBondContact O-CZ 3.37Å; A306-W339 HydrophobicContact CB-CZ2 3.82Å; A306-I346 HydrophobicContact CB-CD1 4.5Å
307R89Confident89.5Confident49 Ų4936 Ų3619%0.18518%0.181CC..EExtended strand (participates in β ladder)trans-128.2133.8170.4-175.9-179.170.3162.97.8108.7H286 F296 S314 Y316H286-R307 PolarHBondContact O-NH1 3.12Å; H286-R307 VanDerWaalsContact O-NH1 3.16Å; F296-R307 HydrophobicContact CD1-CB 3.71Å; F296-R307 HydrophobicContact CD1-CG 4.44Å; F296-R307 HydrophobicContact CE1-CB 3.46Å; F296-R307 VanDerWaalsContact CE1-CB 3.46Å; F296-R307 HydrophobicContact CE1-CG 4.13Å; F296-R307 HydrophobicContact CZ-CB 4.2Å; F296-R307 HydrophobicContact CZ-CG 4.42Å; R307-S314 PolarHBondContact N-O 2.86Å; R307-S314 PolarHBondContact O-N 3.48Å; R307-Y316 HydrophobicContact CB-CE2 4.48Å
308M87.9Confident89.4Confident65 Ų6533.8 Ų33.832%0.3217%0.172SC..EExtended strand (participates in β ladder)trans-88.2137.1170.162.6-177.7-74.600110.6L313 I334 K335 F337M308-L313 HydrophobicContact CB-CD1 4.26Å; M308-I334 HydrophobicContact CE-CG2 4.45Å; M308-I334 WeakPolarHBondContact CE-O 3.43Å; M308-K335 WeakPolarHBondContact CE-O 3.13Å; M308-F337 HydrophobicContact CB-CD1 3.9Å; M308-F337 HydrophobicContact CB-CE1 3.83Å; M308-F337 HydrophobicContact CG-CD1 4.04Å; M308-F337 HydrophobicContact CG-CE1 3.78Å; M308-F337 HydrophobicContact SD-CD1 3.8Å; M308-F337 HydrophobicContact SD-CE1 4Å
309T84.3Confident89.1Confident33 Ų3337.5 Ų37.520%0.20220%0.198CC..EExtended strand (participates in β ladder)trans-114.5162.8159.5-40.40000106.1D311 T312T309-D311 PolarHBondContact O-N 3.37Å; T309-T312 WeakPolarHBondContact CB-OG1 3.35Å; T309-T312 PolarHBondContact N-O 3.38Å; T309-T312 PolarHBondContact O-N 2.84Å; T309-T312 VanDerWaalsContact O-O 3.13Å
310T80.1Confident88.5Confident105 Ų10541.9 Ų41.964%0.64423%0.229SC*.THydrogen-bonded Turntrans-46.9-39.2-174.4-470000114.3G333T310-G333 PolarHBondContact O-N 3.11Å
311D85.2Confident88.4Confident80 Ų8038.5 Ų38.543%0.42821%0.213SC..THydrogen-bonded Turntrans-122.74.7-177.3-64.2-44.8000115T309 I331 G333T309-D311 PolarHBondContact O-N 3.37Å; D311-I331 CarbonylContact C-O 3.46Å; D311-I331 CarbonylContact O-C 3.57Å; D311-I331 PolarHBondContact O-N 2.87Å; D311-I331 VanDerWaalsContact O-O 3.09Å; D311-G333 PolarHBondContact OD1-N 3Å
312T89.6Confident88.4Confident43 Ų4337.4 Ų37.426%0.26421%0.213SC..EExtended strand (participates in β ladder)trans-143.6137.4-177.958.60000112.3T309 L329T309-T312 WeakPolarHBondContact CB-OG1 3.35Å; T309-T312 PolarHBondContact N-O 3.38Å; T309-T312 PolarHBondContact O-N 2.84Å; T309-T312 VanDerWaalsContact O-O 3.13Å; T312-L329 CarbonylContact C-O 3.56Å; T312-L329 WeakPolarHBondContact CA-O 3.28Å
313L91Very high88.5Confident0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-101.3108.6168.5-172.867.4000108.4A306 M308 I315 L329 I331 I334 F337 I346A306-L313 HydrophobicContact CB-CD1 4.26Å; M308-L313 HydrophobicContact CB-CD1 4.26Å; L313-I315 HydrophobicContact CD2-CD1 4.32Å; L313-I315 HydrophobicContact CG-CG1 4.27Å; L313-L329 HydrophobicContact CB-CB 4.28Å; L313-L329 HydrophobicContact CD2-CD1 4.39Å; L313-L329 PolarHBondContact N-O 3.3Å; L313-L329 PolarHBondContact O-N 3.29Å; L313-I331 HydrophobicContact CB-CD1 4.47Å; L313-I334 HydrophobicContact CB-CD1 3.81Å; L313-F337 HydrophobicContact CD1-CD1 4.17Å; L313-F337 HydrophobicContact CD1-CD2 4.32Å; L313-F337 HydrophobicContact CD1-CE1 4.37Å; L313-F337 HydrophobicContact CD1-CG 4.15Å; L313-I346 HydrophobicContact CD2-CD1 4.24Å; L313-I346 HydrophobicContact CD2-CG2 4.48Å
314S90.9Very high88.3Confident7 Ų735.7 Ų35.75%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-92.7120.7176.5-66.80000109.5A306 R307 S328A306-S314 VanDerWaalsContact CA-O 3.32Å; A306-S314 WeakPolarHBondContact CA-O 3.4Å; R307-S314 PolarHBondContact N-O 2.86Å; R307-S314 PolarHBondContact O-N 3.48Å; S314-S328 PolarHBondContact OG-OG 2.89Å
315I92.3Very high88Confident3 Ų340.7 Ų40.72%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-112.2127.1179.6-53-177.8000108.1F304 A306 L313 L323 L324 L329 I346 L365F304-I315 HydrophobicContact CB-CG2 4.34Å; A306-I315 HydrophobicContact CB-CG1 4.1Å; L313-I315 HydrophobicContact CD2-CD1 4.32Å; L313-I315 HydrophobicContact CG-CG1 4.27Å; I315-L323 WeakPolarHBondContact O-CD1 3.32Å; I315-L324 HydrophobicContact CB-CB 4.44Å; I315-L324 HydrophobicContact CG2-CB 4.41Å; I315-L324 HydrophobicContact CG2-CD2 4.09Å; I315-L324 WeakPolarHBondContact O-CB 3.46Å; I315-L324 PolarHBondContact O-N 2.83Å; I315-L329 HydrophobicContact CD1-CD1 3.69Å; I315-I346 HydrophobicContact CD1-CD1 3.72Å; I315-L365 HydrophobicContact CD1-CD1 4.23Å; I315-L365 HydrophobicContact CD1-CD2 3.62Å; I315-L365 HydrophobicContact CD1-CG 4.43Å; I315-L365 HydrophobicContact CG2-CD2 3.77Å
316Y92.1Very high87.6Confident18 Ų1849.8 Ų49.87%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-113.3149.2-178.3-57.4-85000110.2F285 F296 F304 F305 R307 G322 L323F285-Y316 HydrophobicContact CE1-CD1 4.44Å; F285-Y316 AromaticContact CE1-CE1 3.74Å; F285-Y316 HydrophobicContact CE1-CE1 3.74Å; F285-Y316 AromaticContact CE1-CE2 3.97Å; F285-Y316 HydrophobicContact CE1-CE2 3.97Å; F285-Y316 AromaticContact CE1-CZ 3.47Å; F285-Y316 VanDerWaalsContact CE1-CZ 3.47Å; F285-Y316 WeakPolarHBondContact CE1-OH 3.32Å; F285-Y316 HydrophobicContact CZ-CD1 4.31Å; F285-Y316 HydrophobicContact CZ-CD2 4.46Å; F285-Y316 HydrophobicContact CZ-CE1 4.05Å; F285-Y316 HydrophobicContact CZ-CE2 4.22Å; F296-Y316 HydrophobicContact CE1-CD2 4.21Å; F296-Y316 AromaticContact CE1-CE2 3.97Å; F296-Y316 HydrophobicContact CE1-CE2 3.97Å; F304-Y316 WeakPolarHBondContact CA-O 3.39Å; F305-Y316 AromaticContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CD2 3.86Å; F305-Y316 HydrophobicContact CD2-CG 4.3Å; F305-Y316 HydrophobicContact CE1-CG 4.25Å; F305-Y316 AromaticContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CD2 3.44Å; F305-Y316 VanDerWaalsContact CE2-CD2 3.44Å; F305-Y316 HydrophobicContact CE2-CE2 4.33Å; F305-Y316 AromaticContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CE2-CG 3.63Å; F305-Y316 HydrophobicContact CZ-CD1 4.44Å; F305-Y316 AromaticContact CZ-CD2 3.96Å; F305-Y316 HydrophobicContact CZ-CD2 3.96Å; F305-Y316 AromaticContact CZ-CG 3.62Å; F305-Y316 HydrophobicContact CZ-CG 3.62Å; F305-Y316 PolarHBondContact N-O 2.84Å; F305-Y316 PolarHBondContact O-N 3.45Å; R307-Y316 HydrophobicContact CB-CE2 4.48Å; Y316-G322 CarbonylContact C-O 3.54Å; Y316-G322 WeakPolarHBondContact CA-O 3.01Å; Y316-L323 HydrophobicContact CD1-CB 4.39Å; Y316-L323 HydrophobicContact CD1-CD1 4.12Å; Y316-L323 HydrophobicContact CE1-CB 4.44Å; Y316-L323 HydrophobicContact CE1-CD1 3.86Å
317E91.1Very high87.3Confident65 Ų6557 Ų5730%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-111.9137-177.8-177.3171.6-152.300111.1F304 M321 G322 L324F304-E317 HydrophobicContact CD1-CB 4.26Å; F304-E317 HydrophobicContact CD1-CG 4.32Å; F304-E317 HydrophobicContact CE1-CB 4.26Å; F304-E317 HydrophobicContact CE1-CG 3.98Å; E317-M321 CarbonylContact O-C 3.58Å; E317-M321 WeakPolarHBondContact O-CA 3.21Å; E317-M321 PolarHBondContact O-N 3.45Å; E317-G322 PolarHBondContact N-O 2.88Å; E317-G322 PolarHBondContact O-N 2.83Å; E317-L324 HydrophobicContact CB-CD1 4.17Å
318T88.6Confident87.2Confident10 Ų1057 Ų576%0.06131%0.314CS..THydrogen-bonded Turntrans-92.9145.9170.570.20000110.3Y254 W298 G302 K303 F305 M321Y254-T318 HydrophobicContact CD2-CG2 4.19Å; Y254-T318 HydrophobicContact CE2-CG2 3.65Å; W298-T318 HydrophobicContact CH2-CG2 4.27Å; W298-T318 HydrophobicContact CZ3-CG2 3.68Å; G302-T318 PolarHBondContact O-OG1 2.8Å; K303-T318 WeakPolarHBondContact CA-OG1 3.26Å; K303-T318 PolarHBondContact O-N 2.87Å; K303-T318 PolarHBondContact O-OG1 3.23Å; K303-T318 VanDerWaalsContact O-OG1 3.13Å; F305-T318 HydrophobicContact CD1-CG2 4.11Å; F305-T318 HydrophobicContact CE1-CG2 4.23Å; T318-M321 HydrophobicContact CG2-CE 3.97Å; T318-M321 HydrophobicContact CG2-SD 3.91Å
319P85.3Confident87.1Confident96 Ų9655.2 Ų55.262%0.62331%0.305SS*.THydrogen-bonded Turncis-94.1-12.215.135.8-35.9000115.9Y254 M321Y254-P319 WeakPolarHBondContact OH-CA 3.45Å; P319-M321 PolarHBondContact O-N 3.49Å
320S81.8Confident87.4Confident93 Ų9361.8 Ų61.865%0.6533%0.331SS*.THydrogen-bonded Turntrans-73.4-12.2-174.858.20000113.7G322S320-G322 PolarHBondContact O-N 2.87Å; S320-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 PolarHBondContact OG-N 2.9Å
321M85.1Confident87.7Confident1 Ų157.5 Ų57.51%0.00530%0.304CS..THydrogen-bonded Turntrans5719.8-171.9-56.2-63176.300112.6Y254 I273 K282 R283 W298 F305 E317 T318 P319Y254-M321 HydrophobicContact CD1-CE 3.23Å; Y254-M321 HydrophobicContact CD2-CE 3.91Å; Y254-M321 HydrophobicContact CE1-CE 3.18Å; Y254-M321 HydrophobicContact CE2-CE 3.87Å; Y254-M321 HydrophobicContact CG-CE 3.6Å; I273-M321 HydrophobicContact CG2-CE 3.89Å; I273-M321 HydrophobicContact CG2-SD 4.39Å; K282-M321 HydrophobicContact CB-CE 4.47Å; K282-M321 HydrophobicContact CB-CG 3.9Å; K282-M321 HydrophobicContact CG-CE 4.47Å; R283-M321 HydrophobicContact CB-CB 4.25Å; R283-M321 PolarHBondContact NH1-O 3.26Å; W298-M321 HydrophobicContact CH2-CE 4.35Å; F305-M321 HydrophobicContact CD1-SD 4.31Å; F305-M321 HydrophobicContact CE1-SD 3.32Å; F305-M321 WeakPolarHBondContact CE1-SD 2.9Å; F305-M321 HydrophobicContact CZ-CB 4.47Å; F305-M321 HydrophobicContact CZ-SD 3.71Å; E317-M321 CarbonylContact O-C 3.58Å; E317-M321 WeakPolarHBondContact O-CA 3.21Å; E317-M321 PolarHBondContact O-N 3.45Å; T318-M321 HydrophobicContact CG2-CE 3.97Å; T318-M321 HydrophobicContact CG2-SD 3.91Å; P319-M321 PolarHBondContact O-N 3.49Å
322G87.3Confident87.7Confident24 Ų2458 Ų5825%0.24731%0.307CS..EExtended strand (participates in β ladder)trans-71.5159.5179.500000111.9Y316 E317 S320Y316-G322 CarbonylContact C-O 3.54Å; Y316-G322 WeakPolarHBondContact CA-O 3.01Å; E317-G322 PolarHBondContact N-O 2.88Å; E317-G322 PolarHBondContact O-N 2.83Å; S320-G322 PolarHBondContact O-N 2.87Å; S320-G322 VanDerWaalsContact O-N 3.11Å; S320-G322 PolarHBondContact OG-N 2.9Å
323L89.8Confident87.6Confident49 Ų4957.4 Ų57.426%0.25731%0.309SS..EExtended strand (participates in β ladder)trans-73.8127.5171.7-173.672.2000108.7I315 Y316 D325 K326I315-L323 WeakPolarHBondContact O-CD1 3.32Å; Y316-L323 HydrophobicContact CD1-CB 4.39Å; Y316-L323 HydrophobicContact CD1-CD1 4.12Å; Y316-L323 HydrophobicContact CE1-CB 4.44Å; Y316-L323 HydrophobicContact CE1-CD1 3.86Å; L323-D325 PolarHBondContact O-N 2.86Å; L323-K326 PolarHBondContact O-N 3.07Å
324L87.4Confident87.5Confident7 Ų757.8 Ų57.84%0.03731%0.311CS..G310 helixtrans-57.1130.7-179.5-171.168.4000109.7F304 I315 E317 K326 K327 L365 R368F304-L324 HydrophobicContact CD1-CD1 4.39Å; F304-L324 HydrophobicContact CD1-CD2 4.5Å; F304-L324 HydrophobicContact CE1-CD1 3.77Å; F304-L324 HydrophobicContact CE1-CD2 4.31Å; I315-L324 HydrophobicContact CB-CB 4.44Å; I315-L324 HydrophobicContact CG2-CB 4.41Å; I315-L324 HydrophobicContact CG2-CD2 4.09Å; I315-L324 WeakPolarHBondContact O-CB 3.46Å; I315-L324 PolarHBondContact O-N 2.83Å; E317-L324 HydrophobicContact CB-CD1 4.17Å; L324-K326 PolarHBondContact O-N 2.64Å; L324-K327 PolarHBondContact O-N 3.43Å; L324-K327 VanDerWaalsContact O-N 3.12Å; L324-L365 HydrophobicContact CD2-CD2 3.7Å; L324-R368 VanDerWaalsContact CG-NH2 3.28Å; L324-R368 PolarHBondContact O-NH2 2.91Å
325D84.1Confident87.3Confident107 Ų10763.8 Ų63.857%0.57234%0.336SS*.G310 helixtrans46.421.2-173.7-49.7-49.1000115.4L323 K327 R368L323-D325 PolarHBondContact O-N 2.86Å; D325-K327 PolarHBondContact O-N 2.69Å; D325-R368 VanDerWaalsContact CB-NH2 3.29Å; D325-R368 VanDerWaalsContact CG-NH2 3.34Å; D325-R368 IonicContact OD2-CZ 3.29Å; D325-R368 IonicContact OD2-NE 2.73Å; D325-R368 PolarHBondContact OD2-NE 3.29Å; D325-R368 IonicContact OD2-NH2 3.3Å; D325-R368 PolarHBondContact OD2-NH2 3.32Å
326K85Confident87.2Confident190 Ų19065.8 Ų65.883%0.82635%0.346SS*.G310 helixtrans53.619.9-173.5-54.7179-179.4178.80114.2L323 L324L323-K326 PolarHBondContact O-N 3.07Å; L324-K326 PolarHBondContact O-N 2.64Å
327K84.8Confident87.2Confident152 Ų15265 Ų6566%0.66134%0.343SS*.  trans-134.3123.4-177.7-71.2-178-179177.80111.2L324 D325 R368L324-K327 PolarHBondContact O-N 3.43Å; L324-K327 VanDerWaalsContact O-N 3.12Å; D325-K327 PolarHBondContact O-N 2.69Å; K327-R368 PolarHBondContact O-NH1 2.87Å
328S87.2Confident87.3Confident50 Ų5063.3 Ų63.335%0.3534%0.339SS..  trans-74.5148.2168-600000110.2S314 K330S314-S328 PolarHBondContact OG-OG 2.89Å; S328-K330 PolarHBondContact O-N 3.18Å
329L87.4Confident87.6Confident26 Ų2663.6 Ų63.614%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-79.4118174-66169.7000108.7T312 L313 I315 I331 M363T312-L329 CarbonylContact C-O 3.56Å; T312-L329 WeakPolarHBondContact CA-O 3.28Å; L313-L329 HydrophobicContact CB-CB 4.28Å; L313-L329 HydrophobicContact CD2-CD1 4.39Å; L313-L329 PolarHBondContact N-O 3.3Å; L313-L329 PolarHBondContact O-N 3.29Å; I315-L329 HydrophobicContact CD1-CD1 3.69Å; L329-I331 HydrophobicContact CB-CD1 4.03Å; L329-I331 HydrophobicContact CB-CG1 4.29Å; L329-I331 PolarHBondContact O-N 2.91Å; L329-M363 HydrophobicContact CD1-CE 4.13Å; L329-M363 HydrophobicContact CD1-SD 3.49Å; L329-M363 WeakPolarHBondContact CD1-SD 3.42Å
330K89Confident88Confident171 Ų17159 Ų5974%0.74331%0.309SS*.EExtended strand (participates in β ladder)trans-84.5101.2175.2-169.6176-177.4179.40109S328S328-K330 PolarHBondContact O-N 3.18Å
331I86.3Confident88.4Confident15 Ų1557.1 Ų57.18%0.07730%0.295CS..  trans-132.1106179.2-56.4163.6000105.1D311 L313 L329 I334 F348 V350 M363D311-I331 CarbonylContact C-O 3.46Å; D311-I331 CarbonylContact O-C 3.57Å; D311-I331 PolarHBondContact O-N 2.87Å; D311-I331 VanDerWaalsContact O-O 3.09Å; L313-I331 HydrophobicContact CB-CD1 4.47Å; L329-I331 HydrophobicContact CB-CD1 4.03Å; L329-I331 HydrophobicContact CB-CG1 4.29Å; L329-I331 PolarHBondContact O-N 2.91Å; I331-I334 HydrophobicContact CB-CD1 3.53Å; I331-I334 HydrophobicContact CB-CG1 3.85Å; I331-I334 HydrophobicContact CD1-CD1 3.99Å; I331-I334 HydrophobicContact CG1-CD1 4.35Å; I331-I334 HydrophobicContact CG2-CD1 3.71Å; I331-I334 HydrophobicContact CG2-CG1 3.46Å; I331-I334 VanDerWaalsContact CG2-CG1 3.46Å; I331-F348 HydrophobicContact CD1-CE1 4.06Å; I331-F348 HydrophobicContact CD1-CE2 3.93Å; I331-F348 HydrophobicContact CD1-CZ 3.64Å; I331-F348 HydrophobicContact CG2-CD2 4.33Å; I331-F348 HydrophobicContact CG2-CE2 3.78Å; I331-F348 HydrophobicContact CG2-CZ 4.47Å; I331-V350 HydrophobicContact CG2-CG2 3.93Å; I331-M363 HydrophobicContact CD1-CE 4.48Å
332N86.9Confident88.5Confident92 Ų9258.3 Ų58.349%0.49231%0.307SS..THydrogen-bonded Turntrans-71.6138.4-175.5-59.1-7.7000110.2V350N332-V350 WeakPolarHBondContact O-CG1 3.45Å
333G85.9Confident88.6Confident30 Ų3059.3 Ų59.331%0.30931%0.307SS..THydrogen-bonded Turntrans71.626.9170.700000116.2T310 D311 K335 P351T310-G333 PolarHBondContact O-N 3.11Å; D311-G333 PolarHBondContact OD1-N 3Å; G333-K335 PolarHBondContact O-N 3.48Å; G333-P351 WeakPolarHBondContact O-CD 3.49Å
334I88.8Confident88.7Confident7 Ų758.7 Ų58.74%0.03630%0.304CS..  trans-61.8126174.1-62.2163.9000109.6M308 L313 I331 F348 V350M308-I334 HydrophobicContact CE-CG2 4.45Å; M308-I334 WeakPolarHBondContact CE-O 3.43Å; L313-I334 HydrophobicContact CB-CD1 3.81Å; I331-I334 HydrophobicContact CB-CD1 3.53Å; I331-I334 HydrophobicContact CB-CG1 3.85Å; I331-I334 HydrophobicContact CD1-CD1 3.99Å; I331-I334 HydrophobicContact CG1-CD1 4.35Å; I331-I334 HydrophobicContact CG2-CD1 3.71Å; I331-I334 HydrophobicContact CG2-CG1 3.46Å; I331-I334 VanDerWaalsContact CG2-CG1 3.46Å; I334-F348 HydrophobicContact CG1-CD2 4.34Å; I334-F348 HydrophobicContact CG2-CB 4.33Å; I334-V350 HydrophobicContact CG1-CG2 4.36Å
335K87.7Confident89Confident134 Ų13458.9 Ų58.958%0.58331%0.305SS*.  trans-93.9-41.4177.3-80.1-73.5-173.6179.80113.3M308 G333 W349 P351M308-K335 WeakPolarHBondContact CE-O 3.13Å; G333-K335 PolarHBondContact O-N 3.48Å; K335-W349 HydrophobicContact CB-CD2 4.06Å; K335-W349 VanDerWaalsContact CB-CE2 3.46Å; K335-W349 HydrophobicContact CB-CE3 4.43Å; K335-W349 HydrophobicContact CB-CH2 3.81Å; K335-W349 HydrophobicContact CB-CZ2 3.34Å; K335-W349 HydrophobicContact CB-CZ3 4.34Å; K335-W349 HydrophobicContact CG-CH2 3.87Å; K335-W349 HydrophobicContact CG-CZ2 3.91Å; K335-W349 HydrophobicContact CG-CZ3 4.33Å; K335-W349 PolarHBondContact N-O 2.92Å; K335-P351 HydrophobicContact CG-CB 4.37Å; K335-P351 HydrophobicContact CG-CG 3.67Å
336D89.3Confident89.5Confident44 Ų4453.8 Ų53.824%0.23528%0.278CS..EExtended strand (participates in β ladder)trans-153155.6174.6-167.517.8000110.4K297 F348 W349K297-D336 IonicContact NZ-OD1 3.98Å; K297-D336 PolarHBondContact NZ-OD1 3.19Å; D336-F348 WeakPolarHBondContact O-CA 3.21Å; D336-W349 PolarHBondContact O-N 2.5Å; D336-W349 VanDerWaalsContact O-N 3.16Å
337F92.8Very high89.9Confident1 Ų144.8 Ų44.80%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-141.4149.5173.778.2-78.6000110.5K297 A306 M308 L313 W339 I346 A347 F348K297-F337 HydrophobicContact CB-CE2 3.77Å; K297-F337 HydrophobicContact CB-CZ 3.87Å; K297-F337 HydrophobicContact CD-CD2 4.43Å; K297-F337 HydrophobicContact CD-CE1 4.22Å; K297-F337 HydrophobicContact CD-CE2 3.95Å; K297-F337 HydrophobicContact CD-CZ 3.83Å; K297-F337 WeakPolarHBondContact CD-O 3.29Å; K297-F337 WeakPolarHBondContact CE-O 3.47Å; K297-F337 HydrophobicContact CG-CE1 4.49Å; K297-F337 HydrophobicContact CG-CE2 4.09Å; K297-F337 HydrophobicContact CG-CZ 3.79Å; K297-F337 PolarHBondContact NZ-O 3.32Å; A306-F337 HydrophobicContact CB-CE2 3.71Å; A306-F337 HydrophobicContact CB-CZ 4.12Å; A306-F337 WeakPolarHBondContact O-CZ 3.37Å; M308-F337 HydrophobicContact CB-CD1 3.9Å; M308-F337 HydrophobicContact CB-CE1 3.83Å; M308-F337 HydrophobicContact CG-CD1 4.04Å; M308-F337 HydrophobicContact CG-CE1 3.78Å; M308-F337 HydrophobicContact SD-CD1 3.8Å; M308-F337 HydrophobicContact SD-CE1 4Å; L313-F337 HydrophobicContact CD1-CD1 4.17Å; L313-F337 HydrophobicContact CD1-CD2 4.32Å; L313-F337 HydrophobicContact CD1-CE1 4.37Å; L313-F337 HydrophobicContact CD1-CG 4.15Å; F337-W339 AromaticContact CE2-NE1 3.9Å; F337-I346 HydrophobicContact CB-CG2 4.17Å; F337-I346 HydrophobicContact CD2-CG2 4.17Å; F337-A347 CarbonylContact C-O 3.53Å; F337-A347 WeakPolarHBondContact CA-O 3.32Å; F337-F348 HydrophobicContact CB-CB 3.75Å
338S93.4Very high90.4Very high30 Ų3037.5 Ų37.521%0.2121%0.207CC..EExtended strand (participates in β ladder)trans-145.8137.9179.8-169.10000110.7A347 W386S338-A347 PolarHBondContact N-O 2.86Å; S338-A347 PolarHBondContact O-N 2.99Å; S338-W386 PolarHBondContact O-NE1 3.05Å; S338-W386 VanDerWaalsContact OG-CD1 3.3Å
339W94.3Very high90.6Very high17 Ų1735.8 Ų35.86%0.06419%0.192CC..EExtended strand (participates in β ladder)trans-80.2142.5176.8-71.597000110.9K297 F304 A306 F337 I346 L365 W386K297-W339 PolarHBondContact O-NE1 3.35Å; F304-W339 HydrophobicContact CB-CH2 3.64Å; F304-W339 HydrophobicContact CB-CZ2 4.09Å; F304-W339 HydrophobicContact CB-CZ3 4.44Å; F304-W339 HydrophobicContact CG-CH2 4.44Å; A306-W339 HydrophobicContact CB-CZ2 3.82Å; F337-W339 AromaticContact CE2-NE1 3.9Å; W339-I346 HydrophobicContact CD2-CD1 4.3Å; W339-I346 HydrophobicContact CD2-CG1 3.69Å; W339-I346 HydrophobicContact CE3-CD1 4.24Å; W339-I346 HydrophobicContact CE3-CG1 3.46Å; W339-I346 VanDerWaalsContact CE3-CG1 3.46Å; W339-I346 HydrophobicContact CH2-CD1 3.5Å; W339-I346 VanDerWaalsContact CH2-CD1 3.5Å; W339-I346 HydrophobicContact CH2-CG1 3.65Å; W339-I346 HydrophobicContact CZ2-CD1 3.54Å; W339-I346 HydrophobicContact CZ2-CG1 3.86Å; W339-I346 HydrophobicContact CZ3-CD1 3.86Å; W339-I346 HydrophobicContact CZ3-CG1 3.44Å; W339-I346 VanDerWaalsContact CZ3-CG1 3.44Å; W339-L365 HydrophobicContact CH2-CD1 3.94Å; W339-L365 HydrophobicContact CH2-CD2 4.24Å; W339-L365 HydrophobicContact CZ3-CD1 3.87Å; W339-W386 PolarHBondContact O-NE1 2.86Å
340S94.3Very high90.9Very high0 Ų035 Ų350%019%0.189CC..  trans-64.4132.2165.4173.30000109.3G342 D343 I345S340-G342 VanDerWaalsContact C-N 3.28Å; S340-G342 PolarHBondContact O-N 3.13Å; S340-D343 WeakPolarHBondContact CB-O 3.44Å; S340-D343 PolarHBondContact OG-N 2.92Å; S340-I345 PolarHBondContact N-O 3.38Å
341P90.1Very high91Very high53 Ų5328.4 Ų28.434%0.34416%0.164SC..SBendtrans-77-12.1-178.928.9-34000113.7H300 W386 Q387 R388H300-P341 WeakPolarHBondContact CB-O 3.29Å; P341-W386 HydrophobicContact CG-CB 4.2Å; P341-Q387 WeakPolarHBondContact CG-O 3.14Å; P341-R388 WeakPolarHBondContact CB-O 3.44Å; P341-R388 VanDerWaalsContact CG-O 3.31Å; P341-R388 WeakPolarHBondContact CG-O 3.25Å
342G87.3Confident91.1Very high26 Ų2631.4 Ų31.427%0.26818%0.177SC..SBendtrans-113-26.4178.500000114.8S340S340-G342 VanDerWaalsContact C-N 3.28Å; S340-G342 PolarHBondContact O-N 3.13Å
343D88.9Confident91Very high45 Ų4531.3 Ų31.324%0.24118%0.177CC..SBendtrans-128.2158.9-176-61.4-40.6000110.4S340 I345 R417S340-D343 WeakPolarHBondContact CB-O 3.44Å; S340-D343 PolarHBondContact OG-N 2.92Å; D343-I345 HydrophobicContact CB-CD1 4.01Å; D343-I345 HydrophobicContact CB-CG1 4.08Å; D343-I345 PolarHBondContact O-N 3.38Å; D343-R417 IonicContact OD1-CZ 3.45Å; D343-R417 IonicContact OD1-NH1 2.76Å; D343-R417 PolarHBondContact OD1-NH1 2.91Å; D343-R417 IonicContact OD1-NH2 2.69Å; D343-R417 IonicContact OD2-CZ 3.1Å; D343-R417 IonicContact OD2-NH1 3.69Å; D343-R417 PolarHBondContact OD2-NH1 2.8Å; D343-R417 IonicContact OD2-NH2 2.91Å
344N91.3Very high90.9Very high35 Ų3539 Ų3919%0.18720%0.202CC..SBendtrans-80.960.5175.7-74.1-28.6000111.6H300 D301 L365H300-N344 PolarHBondContact CE1-OD1 3.39Å; H300-N344 PolarHBondContact ND1-OD1 3.49Å; D301-N344 PolarHBondContact OD1-OD1 2.96Å; D301-N344 PolarHBondContact OD2-ND2 3.29Å; N344-L365 PolarHBondContact O-N 2.9Å
345I93.8Very high90.6Very high12 Ų1246.5 Ų46.56%0.06224%0.242CC..EExtended strand (participates in β ladder)trans-118.3136.3179.2-60.1173.2000108.7S340 D343 L362 M363 Q364 I371 M416S340-I345 PolarHBondContact N-O 3.38Å; D343-I345 HydrophobicContact CB-CD1 4.01Å; D343-I345 HydrophobicContact CB-CG1 4.08Å; D343-I345 PolarHBondContact O-N 3.38Å; I345-L362 HydrophobicContact CG2-CB 4.38Å; I345-L362 HydrophobicContact CG2-CD2 4.24Å; I345-M363 CarbonylContact C-O 3.51Å; I345-M363 WeakPolarHBondContact CA-O 3.36Å; I345-M363 WeakPolarHBondContact CG2-O 3.34Å; I345-Q364 HydrophobicContact CG1-CG 4.48Å; I345-I371 HydrophobicContact CD1-CD1 3.84Å; I345-I371 HydrophobicContact CG1-CD1 4.16Å; I345-I371 HydrophobicContact CG2-CD1 4.43Å; I345-M416 HydrophobicContact CD1-CE 3.47Å; I345-M416 VanDerWaalsContact CD1-CE 3.47Å; I345-M416 HydrophobicContact CG2-CE 4.27Å
346I94.3Very high90.5Very high0 Ų044.7 Ų44.70%024%0.238CC..EExtended strand (participates in β ladder)trans-102.8126.6170.5-62.6177000108.4A306 L313 I315 F337 W339 F348 M363 L365A306-I346 HydrophobicContact CB-CD1 4.5Å; L313-I346 HydrophobicContact CD2-CD1 4.24Å; L313-I346 HydrophobicContact CD2-CG2 4.48Å; I315-I346 HydrophobicContact CD1-CD1 3.72Å; F337-I346 HydrophobicContact CB-CG2 4.17Å; F337-I346 HydrophobicContact CD2-CG2 4.17Å; W339-I346 HydrophobicContact CD2-CD1 4.3Å; W339-I346 HydrophobicContact CD2-CG1 3.69Å; W339-I346 HydrophobicContact CE3-CD1 4.24Å; W339-I346 HydrophobicContact CE3-CG1 3.46Å; W339-I346 VanDerWaalsContact CE3-CG1 3.46Å; W339-I346 HydrophobicContact CH2-CD1 3.5Å; W339-I346 VanDerWaalsContact CH2-CD1 3.5Å; W339-I346 HydrophobicContact CH2-CG1 3.65Å; W339-I346 HydrophobicContact CZ2-CD1 3.54Å; W339-I346 HydrophobicContact CZ2-CG1 3.86Å; W339-I346 HydrophobicContact CZ3-CD1 3.86Å; W339-I346 HydrophobicContact CZ3-CG1 3.44Å; W339-I346 VanDerWaalsContact CZ3-CG1 3.44Å; I346-F348 HydrophobicContact CG2-CD1 4.19Å; I346-M363 PolarHBondContact N-O 3.13Å; I346-M363 PolarHBondContact O-N 3.17Å; I346-L365 HydrophobicContact CB-CD1 4.3Å; I346-L365 HydrophobicContact CD1-CD1 3.4Å; I346-L365 VanDerWaalsContact CD1-CD1 3.4Å; I346-L365 HydrophobicContact CG1-CD1 3.54Å
347A94.8Very high90.6Very high0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-92.5129.6159.400000108.7F337 S338 T361 L362 L384 W386 L393F337-A347 CarbonylContact C-O 3.53Å; F337-A347 WeakPolarHBondContact CA-O 3.32Å; S338-A347 PolarHBondContact N-O 2.86Å; S338-A347 PolarHBondContact O-N 2.99Å; A347-T361 WeakPolarHBondContact CA-O 3.42Å; A347-L362 HydrophobicContact CB-CD2 3.72Å; A347-L384 HydrophobicContact CB-CD1 3.99Å; A347-W386 HydrophobicContact CB-CZ2 3.5Å; A347-L393 HydrophobicContact CB-CD2 3.8Å
348F93.9Very high90.5Very high0 Ų044.2 Ų44.20%024%0.237CC..EExtended strand (participates in β ladder)trans-136156.4167.563.6-89.8000109.6I331 I334 D336 F337 I346 V350 T361 M363I331-F348 HydrophobicContact CD1-CE1 4.06Å; I331-F348 HydrophobicContact CD1-CE2 3.93Å; I331-F348 HydrophobicContact CD1-CZ 3.64Å; I331-F348 HydrophobicContact CG2-CD2 4.33Å; I331-F348 HydrophobicContact CG2-CE2 3.78Å; I331-F348 HydrophobicContact CG2-CZ 4.47Å; I334-F348 HydrophobicContact CG1-CD2 4.34Å; I334-F348 HydrophobicContact CG2-CB 4.33Å; D336-F348 WeakPolarHBondContact O-CA 3.21Å; F337-F348 HydrophobicContact CB-CB 3.75Å; I346-F348 HydrophobicContact CG2-CD1 4.19Å; F348-V350 HydrophobicContact CD2-CG2 4.12Å; F348-V350 HydrophobicContact CE2-CG2 4.19Å; F348-T361 HydrophobicContact CE1-CG2 3.7Å; F348-T361 HydrophobicContact CE2-CG2 4.26Å; F348-T361 VanDerWaalsContact CZ-CB 3.45Å; F348-T361 HydrophobicContact CZ-CG2 3.48Å; F348-T361 VanDerWaalsContact CZ-CG2 3.48Å; F348-T361 PolarHBondContact N-O 2.84Å; F348-T361 PolarHBondContact O-N 3.46Å; F348-M363 HydrophobicContact CE1-CB 4.06Å; F348-M363 HydrophobicContact CE1-CE 3.96Å; F348-M363 HydrophobicContact CZ-CE 4.24Å
349W93.1Very high90.5Very high13 Ų1346.5 Ų46.55%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-128.2144.8175.978.4-84.2000111.3K335 D336 P351 R359 V360 C382K335-W349 HydrophobicContact CB-CD2 4.06Å; K335-W349 VanDerWaalsContact CB-CE2 3.46Å; K335-W349 HydrophobicContact CB-CE3 4.43Å; K335-W349 HydrophobicContact CB-CH2 3.81Å; K335-W349 HydrophobicContact CB-CZ2 3.34Å; K335-W349 HydrophobicContact CB-CZ3 4.34Å; K335-W349 HydrophobicContact CG-CH2 3.87Å; K335-W349 HydrophobicContact CG-CZ2 3.91Å; K335-W349 HydrophobicContact CG-CZ3 4.33Å; K335-W349 PolarHBondContact N-O 2.92Å; D336-W349 PolarHBondContact O-N 2.5Å; D336-W349 VanDerWaalsContact O-N 3.16Å; W349-P351 HydrophobicContact CE3-CB 4.45Å; W349-P351 HydrophobicContact CH2-CB 4.33Å; W349-P351 HydrophobicContact CZ3-CB 3.69Å; W349-P351 HydrophobicContact CZ3-CG 4.46Å; W349-R359 WeakPolarHBondContact CA-O 3.32Å; W349-V360 HydrophobicContact CB-CG2 4.03Å; W349-C382 HydrophobicContact CD2-CB 3.47Å; W349-C382 VanDerWaalsContact CD2-CB 3.47Å; W349-C382 HydrophobicContact CE3-CB 3.7Å; W349-C382 HydrophobicContact CG-CB 3.85Å; W349-C382 HydrophobicContact CH2-CB 4.16Å; W349-C382 HydrophobicContact CZ2-CB 3.97Å; W349-C382 HydrophobicContact CZ3-CB 4.02Å; W349-C382 PolarHBondContact NE1-O 2.86Å
350V92.3Very high90.5Very high10 Ų1045.8 Ų45.86%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-120.1127.2178.6-176.20000106.9I331 N332 I334 F348 A358 R359I331-V350 HydrophobicContact CG2-CG2 3.93Å; N332-V350 WeakPolarHBondContact O-CG1 3.45Å; I334-V350 HydrophobicContact CG1-CG2 4.36Å; F348-V350 HydrophobicContact CD2-CG2 4.12Å; F348-V350 HydrophobicContact CE2-CG2 4.19Å; V350-A358 CarbonylContact O-C 3.47Å; V350-A358 VanDerWaalsContact O-CA 3.24Å; V350-A358 WeakPolarHBondContact O-CA 3.35Å; V350-R359 HydrophobicContact CB-CG 4.24Å; V350-R359 PolarHBondContact N-O 3.11Å; V350-R359 PolarHBondContact O-N 2.81Å
351P90.9Very high90.4Very high33 Ų3345.8 Ų45.821%0.21424%0.238CC..  trans-69.6172.5175.932.9-34.2000110.8G333 K335 W349 D353G333-P351 WeakPolarHBondContact O-CD 3.49Å; K335-P351 HydrophobicContact CG-CB 4.37Å; K335-P351 HydrophobicContact CG-CG 3.67Å; W349-P351 HydrophobicContact CE3-CB 4.45Å; W349-P351 HydrophobicContact CH2-CB 4.33Å; W349-P351 HydrophobicContact CZ3-CB 3.69Å; W349-P351 HydrophobicContact CZ3-CG 4.46Å; P351-D353 PolarHBondContact O-N 3.32Å
352E88.3Confident90.7Very high78 Ų7843.3 Ų43.336%0.36422%0.222SC..  trans-63.1130.8173.7-77.2165-143.700110.9A358 F377 N378 V379E352-A358 HydrophobicContact CG-CB 3.8Å; E352-F377 WeakPolarHBondContact OE1-CA 3.36Å; E352-N378 WeakPolarHBondContact OE1-CA 3.38Å; E352-N378 PolarHBondContact OE1-N 2.96Å; E352-N378 PolarHBondContact OE2-N 2.89Å; E352-V379 PolarHBondContact OE1-N 3.06Å
353D85.1Confident91Very high90 Ų9042.3 Ų42.348%0.48121%0.211SC..BIsolated β-bridgetrans-131.9108.9172.2-17828.7000109.5P351 D355 I356P351-D353 PolarHBondContact O-N 3.32Å; D353-D355 PolarHBondContact O-N 3.07Å; D353-I356 PolarHBondContact N-O 2.88Å; D353-I356 VanDerWaalsContact N-O 3.09Å; D353-I356 PolarHBondContact O-N 2.87Å
354K84.9Confident91.1Very high192 Ų19244.3 Ų44.384%0.83522%0.219SC*.THydrogen-bonded Turntrans50.5-102.5-179.2-60.4171.7-173.9173.60112.4
355D82.1Confident91Very high163 Ų16343 Ų4387%0.87221%0.211SC*.THydrogen-bonded Turntrans-93.8-8.1-176.6-57.3-47.9000112.9D353D353-D355 PolarHBondContact O-N 3.07Å
356I85.9Confident90.6Very high97 Ų9746.5 Ų46.550%0.49724%0.235SC..BIsolated β-bridgetrans-93.6118.7-179-56.8176000108.7D353D353-I356 PolarHBondContact N-O 2.88Å; D353-I356 VanDerWaalsContact N-O 3.09Å; D353-I356 PolarHBondContact O-N 2.87Å
357P90Very high90.2Very high33 Ų3349.2 Ų49.221%0.21425%0.254CS..PPolyproline II helixtrans-66.5157.9176.728.7-34.5000111.3R359 N375 L376 F377P357-R359 PolarHBondContact O-N 2.98Å; P357-N375 HydrophobicContact CG-CB 4.29Å; P357-L376 WeakPolarHBondContact CB-O 3.43Å; P357-F377 HydrophobicContact CB-CD1 3.85Å; P357-F377 HydrophobicContact CB-CE1 3.53Å; P357-F377 HydrophobicContact CB-CZ 4.06Å; P357-F377 HydrophobicContact CG-CE1 4.16Å; P357-F377 HydrophobicContact CG-CZ 4.39Å
358A91.7Very high89.8Confident1 Ų151.6 Ų51.61%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-58.9140.8171.400000108.5V350 E352 N375 L376 V379V350-A358 CarbonylContact O-C 3.47Å; V350-A358 VanDerWaalsContact O-CA 3.24Å; V350-A358 WeakPolarHBondContact O-CA 3.35Å; E352-A358 HydrophobicContact CG-CB 3.8Å; A358-N375 CarbonylContact O-C 3.59Å; A358-N375 WeakPolarHBondContact O-CA 3.4Å; A358-L376 HydrophobicContact CB-CB 4.24Å; A358-L376 PolarHBondContact N-O 3.06Å; A358-L376 PolarHBondContact O-N 2.65Å; A358-V379 HydrophobicContact CB-CB 4.05Å; A358-V379 HydrophobicContact CB-CG2 3.97Å
359R92.3Very high89.5Confident79 Ų7957.9 Ų57.930%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-139.3139.9177.963.5-179.2176.9173.41.1111.7W349 V350 P357 V373 R374 N375W349-R359 WeakPolarHBondContact CA-O 3.32Å; V350-R359 HydrophobicContact CB-CG 4.24Å; V350-R359 PolarHBondContact N-O 3.11Å; V350-R359 PolarHBondContact O-N 2.81Å; P357-R359 PolarHBondContact O-N 2.98Å; R359-V373 HydrophobicContact CB-CG1 4.15Å; R359-R374 CarbonylContact C-O 3.26Å; R359-R374 VanDerWaalsContact CA-O 3.28Å; R359-R374 WeakPolarHBondContact CA-O 3.46Å; R359-N375 WeakPolarHBondContact CB-OD1 3.43Å
360V94.4Very high89.4Confident2 Ų261.5 Ų61.51%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-103.6125.6167.3-176.50000107.5W349 V373 R374 L376 L384 V395W349-V360 HydrophobicContact CB-CG2 4.03Å; V360-V373 WeakPolarHBondContact O-CA 3.46Å; V360-R374 PolarHBondContact N-O 2.81Å; V360-R374 PolarHBondContact O-N 2.96Å; V360-L376 HydrophobicContact CG2-CD1 3.81Å; V360-L384 HydrophobicContact CG1-CD2 4.17Å; V360-V395 HydrophobicContact CG1-CG2 4.11Å; V360-V395 HydrophobicContact CG2-CG1 4.07Å
361T93.9Very high89.3Confident0 Ų064.4 Ų64.40%032%0.324CS..EExtended strand (participates in β ladder)trans-121.3132.1-176.5-63.30000110.1A347 F348 E370 V373A347-T361 WeakPolarHBondContact CA-O 3.42Å; F348-T361 HydrophobicContact CE1-CG2 3.7Å; F348-T361 HydrophobicContact CE2-CG2 4.26Å; F348-T361 VanDerWaalsContact CZ-CB 3.45Å; F348-T361 HydrophobicContact CZ-CG2 3.48Å; F348-T361 VanDerWaalsContact CZ-CG2 3.48Å; F348-T361 PolarHBondContact N-O 2.84Å; F348-T361 PolarHBondContact O-N 3.46Å; T361-E370 HydrophobicContact CG2-CB 3.99Å; T361-E370 HydrophobicContact CG2-CG 3.64Å; T361-V373 HydrophobicContact CG2-CG2 4.1Å
362L94.5Very high89.4Confident0 Ų067.3 Ų67.30%033%0.331CS..EExtended strand (participates in β ladder)trans-101.6114.4169.1-68173.8000108.8I345 A347 E370 I371 R372 W386 L393 F414 M416 V421I345-L362 HydrophobicContact CG2-CB 4.38Å; I345-L362 HydrophobicContact CG2-CD2 4.24Å; A347-L362 HydrophobicContact CB-CD2 3.72Å; L362-E370 CarbonylContact O-C 3.58Å; L362-E370 WeakPolarHBondContact O-CA 3.33Å; L362-I371 PolarHBondContact O-N 3.38Å; L362-R372 HydrophobicContact CB-CB 4.31Å; L362-R372 HydrophobicContact CD1-CB 4.12Å; L362-R372 PolarHBondContact N-O 3.28Å; L362-W386 HydrophobicContact CD2-CH2 3.8Å; L362-W386 HydrophobicContact CD2-CZ2 4.02Å; L362-L393 HydrophobicContact CD2-CD2 3.72Å; L362-F414 HydrophobicContact CD1-CB 4.47Å; L362-F414 HydrophobicContact CD1-CD1 3.85Å; L362-F414 HydrophobicContact CD1-CE1 4.47Å; L362-F414 HydrophobicContact CD1-CG 4.35Å; L362-M416 HydrophobicContact CD1-CE 4Å; L362-M416 HydrophobicContact CD1-SD 3.61Å; L362-V421 HydrophobicContact CD1-CG1 4.19Å
363M93.5Very high89.6Confident6 Ų665.7 Ų65.73%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-113.9130-178.8-179.2179.9-72.900110.9L329 I331 I345 I346 F348 Q369 E370L329-M363 HydrophobicContact CD1-CE 4.13Å; L329-M363 HydrophobicContact CD1-SD 3.49Å; L329-M363 WeakPolarHBondContact CD1-SD 3.42Å; I331-M363 HydrophobicContact CD1-CE 4.48Å; I345-M363 CarbonylContact C-O 3.51Å; I345-M363 WeakPolarHBondContact CA-O 3.36Å; I345-M363 WeakPolarHBondContact CG2-O 3.34Å; I346-M363 PolarHBondContact N-O 3.13Å; I346-M363 PolarHBondContact O-N 3.17Å; F348-M363 HydrophobicContact CE1-CB 4.06Å; F348-M363 HydrophobicContact CE1-CE 3.96Å; F348-M363 HydrophobicContact CZ-CE 4.24Å; M363-Q369 WeakPolarHBondContact CA-O 3.48Å; M363-E370 HydrophobicContact CE-CG 4.11Å
364Q92.1Very high89.9Confident87 Ų8764.8 Ų64.841%0.40732%0.316SS..EExtended strand (participates in β ladder)trans-86.6140.6175.9-161.9175.613.100111.5I345 R368 Q369 I371I345-Q364 HydrophobicContact CG1-CG 4.48Å; Q364-R368 VanDerWaalsContact O-CA 3.25Å; Q364-R368 WeakPolarHBondContact O-CA 3.45Å; Q364-R368 PolarHBondContact O-N 2.82Å; Q364-Q369 PolarHBondContact N-O 3.01Å; Q364-I371 HydrophobicContact CB-CD1 3.7Å; Q364-I371 HydrophobicContact CB-CG1 3.93Å; Q364-I371 HydrophobicContact CG-CD1 4.24Å
365L88.8Confident90.3Very high7 Ų759.8 Ų59.84%0.03730%0.299CS..THydrogen-bonded Turntrans-114.3143.3168.2-78.9104.4000111.6I315 L324 W339 N344 I346I315-L365 HydrophobicContact CD1-CD1 4.23Å; I315-L365 HydrophobicContact CD1-CD2 3.62Å; I315-L365 HydrophobicContact CD1-CG 4.43Å; I315-L365 HydrophobicContact CG2-CD2 3.77Å; L324-L365 HydrophobicContact CD2-CD2 3.7Å; W339-L365 HydrophobicContact CH2-CD1 3.94Å; W339-L365 HydrophobicContact CH2-CD2 4.24Å; W339-L365 HydrophobicContact CZ3-CD1 3.87Å; N344-L365 PolarHBondContact O-N 2.9Å; I346-L365 HydrophobicContact CB-CD1 4.3Å; I346-L365 HydrophobicContact CD1-CD1 3.4Å; I346-L365 VanDerWaalsContact CD1-CD1 3.4Å; I346-L365 HydrophobicContact CG1-CD1 3.54Å
366P86Confident90.6Very high85 Ų8552.1 Ų52.155%0.55226%0.258SS*.THydrogen-bonded Turncis-88.2-1.58.634.7-36.3000115.5F304 R368F304-P366 HydrophobicContact CZ-CB 4.3Å; P366-R368 PolarHBondContact O-N 2.72Å
367S86.5Confident90.7Very high57 Ų5753.7 Ų53.740%0.39926%0.261SS..THydrogen-bonded Turntrans-65.3-19.4-173.957.20000114.7Q369S367-Q369 PolarHBondContact O-N 2.71Å; S367-Q369 VanDerWaalsContact O-N 3.13Å
368R86.1Confident90.5Very high50 Ų5055 Ų5519%0.18927%0.266CS..THydrogen-bonded Turntrans56.521.3-175-55171.1-173.9-131.7-2.9113.5L324 D325 K327 Q364 P366L324-R368 VanDerWaalsContact CG-NH2 3.28Å; L324-R368 PolarHBondContact O-NH2 2.91Å; D325-R368 VanDerWaalsContact CB-NH2 3.29Å; D325-R368 VanDerWaalsContact CG-NH2 3.34Å; D325-R368 IonicContact OD2-CZ 3.29Å; D325-R368 IonicContact OD2-NE 2.73Å; D325-R368 PolarHBondContact OD2-NE 3.29Å; D325-R368 IonicContact OD2-NH2 3.3Å; D325-R368 PolarHBondContact OD2-NH2 3.32Å; K327-R368 PolarHBondContact O-NH1 2.87Å; Q364-R368 VanDerWaalsContact O-CA 3.25Å; Q364-R368 WeakPolarHBondContact O-CA 3.45Å; Q364-R368 PolarHBondContact O-N 2.82Å; P366-R368 PolarHBondContact O-N 2.72Å
369Q88.1Confident90.2Very high133 Ų13355.8 Ų55.862%0.62127%0.271SS*.EExtended strand (participates in β ladder)trans-85.5135.3178.2-69.4-179.1-9.200109.8M363 Q364 S367 I371M363-Q369 WeakPolarHBondContact CA-O 3.48Å; Q364-Q369 PolarHBondContact N-O 3.01Å; S367-Q369 PolarHBondContact O-N 2.71Å; S367-Q369 VanDerWaalsContact O-N 3.13Å; Q369-I371 PolarHBondContact O-N 3.04Å
370E90.4Very high89.9Confident89 Ų8956.5 Ų56.542%0.41628%0.284SS..EExtended strand (participates in β ladder)trans-76.9106.8172-59.4-175.9168.500108.4T361 L362 M363 V373T361-E370 HydrophobicContact CG2-CB 3.99Å; T361-E370 HydrophobicContact CG2-CG 3.64Å; L362-E370 CarbonylContact O-C 3.58Å; L362-E370 WeakPolarHBondContact O-CA 3.33Å; M363-E370 HydrophobicContact CE-CG 4.11Å; E370-V373 HydrophobicContact CB-CG2 4.09Å; E370-V373 VanDerWaalsContact OE2-CG2 3.27Å; E370-V373 WeakPolarHBondContact OE2-CG2 3.48Å
371I90.3Very high89.7Confident71 Ų7158.7 Ų58.736%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-70.1-43179.9-57.5161.3000109.6I345 L362 Q364 Q369 V421I345-I371 HydrophobicContact CD1-CD1 3.84Å; I345-I371 HydrophobicContact CG1-CD1 4.16Å; I345-I371 HydrophobicContact CG2-CD1 4.43Å; L362-I371 PolarHBondContact O-N 3.38Å; Q364-I371 HydrophobicContact CB-CD1 3.7Å; Q364-I371 HydrophobicContact CB-CG1 3.93Å; Q364-I371 HydrophobicContact CG-CD1 4.24Å; Q369-I371 PolarHBondContact O-N 3.04Å; I371-V421 HydrophobicContact CG2-CG2 4.12Å
372R91.9Very high89.5Confident93 Ų9358.8 Ų58.835%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-147.5133.3-176-168.166.8179.9137.6-0.3110.2L362 F414 V421L362-R372 HydrophobicContact CB-CB 4.31Å; L362-R372 HydrophobicContact CD1-CB 4.12Å; L362-R372 PolarHBondContact N-O 3.28Å; R372-F414 HydrophobicContact CG-CD1 4.4Å; R372-F414 HydrophobicContact CG-CE1 4.25Å; R372-V421 HydrophobicContact CB-CB 4.49Å; R372-V421 HydrophobicContact CG-CB 4.45Å
373V92.9Very high89.4Confident44 Ų4463 Ų6327%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-122.7132.4171.9-176.10000108R359 V360 T361 E370R359-V373 HydrophobicContact CB-CG1 4.15Å; V360-V373 WeakPolarHBondContact O-CA 3.46Å; T361-V373 HydrophobicContact CG2-CG2 4.1Å; E370-V373 HydrophobicContact CB-CG2 4.09Å; E370-V373 VanDerWaalsContact OE2-CG2 3.27Å; E370-V373 WeakPolarHBondContact OE2-CG2 3.48Å
374R92.6Very high89.4Confident72 Ų7263.6 Ų63.627%0.27232%0.318SS..EExtended strand (participates in β ladder)trans-124.2113.5178.2179.461.4168.9-168.4-0.4108.9R359 V360 L376 E412 F414R359-R374 CarbonylContact C-O 3.26Å; R359-R374 VanDerWaalsContact CA-O 3.28Å; R359-R374 WeakPolarHBondContact CA-O 3.46Å; V360-R374 PolarHBondContact N-O 2.81Å; V360-R374 PolarHBondContact O-N 2.96Å; R374-L376 HydrophobicContact CG-CD2 4.15Å; R374-E412 WeakPolarHBondContact CG-OE2 3Å; R374-E412 IonicContact CZ-OE1 2.95Å; R374-E412 IonicContact CZ-OE2 3.02Å; R374-E412 IonicContact NE-OE1 2.71Å; R374-E412 IonicContact NE-OE2 2.88Å; R374-E412 PolarHBondContact NE-OE2 2.93Å; R374-E412 IonicContact NH2-OE1 2.8Å; R374-E412 PolarHBondContact NH2-OE1 3.03Å; R374-E412 IonicContact NH2-OE2 3.78Å; R374-F414 HydrophobicContact CB-CE1 3.99Å; R374-F414 HydrophobicContact CB-CZ 3.76Å; R374-F414 HydrophobicContact CG-CZ 4Å
375N92.3Very high89.5Confident87 Ų8762.3 Ų62.347%0.46531%0.311SS..EExtended strand (participates in β ladder)trans-86.5137.1177.3-61.1-24.2000110.1P357 A358 R359P357-N375 HydrophobicContact CG-CB 4.29Å; A358-N375 CarbonylContact O-C 3.59Å; A358-N375 WeakPolarHBondContact O-CA 3.4Å; R359-N375 WeakPolarHBondContact CB-OD1 3.43Å
376L88.8Confident89.8Confident2 Ų263.5 Ų63.51%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-129.5152.9-176.6-55.2171.5000108.6P357 A358 V360 R374 V379 V397 R399 E412P357-L376 WeakPolarHBondContact CB-O 3.43Å; A358-L376 HydrophobicContact CB-CB 4.24Å; A358-L376 PolarHBondContact N-O 3.06Å; A358-L376 PolarHBondContact O-N 2.65Å; V360-L376 HydrophobicContact CG2-CD1 3.81Å; R374-L376 HydrophobicContact CG-CD2 4.15Å; L376-V379 HydrophobicContact CB-CG2 3.39Å; L376-V379 HydrophobicContact CD1-CG2 4.21Å; L376-V379 HydrophobicContact CG-CG2 4.42Å; L376-V397 HydrophobicContact CD1-CG1 4.06Å; L376-V397 HydrophobicContact CD1-CG2 3.78Å; L376-R399 VanDerWaalsContact CD2-NH2 3.3Å; L376-E412 VanDerWaalsContact CD2-CD 3.48Å; L376-E412 WeakPolarHBondContact CD2-OE1 3.39Å; L376-E412 WeakPolarHBondContact CD2-OE2 3.22Å
377F87.1Confident90.2Very high129 Ų12959.5 Ų59.557%0.56629%0.289SS*.SBendtrans-132.6145.7-177-60.7-87.3000111.1E352 P357 V379E352-F377 WeakPolarHBondContact OE1-CA 3.36Å; P357-F377 HydrophobicContact CB-CD1 3.85Å; P357-F377 HydrophobicContact CB-CE1 3.53Å; P357-F377 HydrophobicContact CB-CZ 4.06Å; P357-F377 HydrophobicContact CG-CE1 4.16Å; P357-F377 HydrophobicContact CG-CZ 4.39Å; F377-V379 VanDerWaalsContact C-N 3.31Å
378N85.6Confident90.3Very high60 Ų6063.4 Ų63.432%0.32130%0.295SS..SBendtrans51.245.6-172.8-44.6-55.4000112.9E352 R399 T400 K402E352-N378 WeakPolarHBondContact OE1-CA 3.38Å; E352-N378 PolarHBondContact OE1-N 2.96Å; E352-N378 PolarHBondContact OE2-N 2.89Å; N378-R399 WeakPolarHBondContact O-CA 3.31Å; N378-T400 PolarHBondContact O-N 3.26Å; N378-K402 VanDerWaalsContact OD1-CE 3.25Å; N378-K402 WeakPolarHBondContact OD1-CE 3.37Å
379V86.2Confident90.4Very high19 Ų1964 Ų6412%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-86.4130.4179-179.80000111E352 A358 L376 F377 C382 V397E352-V379 PolarHBondContact OE1-N 3.06Å; A358-V379 HydrophobicContact CB-CB 4.05Å; A358-V379 HydrophobicContact CB-CG2 3.97Å; L376-V379 HydrophobicContact CB-CG2 3.39Å; L376-V379 HydrophobicContact CD1-CG2 4.21Å; L376-V379 HydrophobicContact CG-CG2 4.42Å; F377-V379 VanDerWaalsContact C-N 3.31Å; V379-C382 VanDerWaalsContact CG1-SG 3.52Å; V379-V397 HydrophobicContact CB-CG1 4.38Å; V379-V397 HydrophobicContact CG1-CG1 3.87Å; V379-V397 HydrophobicContact CG2-CG1 3.71Å
380V86.9Confident90.6Very high94 Ų9457.6 Ų57.657%0.5727%0.272SS*.EExtended strand (participates in β ladder)trans-92.9-50.9174.4-1800000110.9D398 T400V380-D398 PolarHBondContact N-O 3.15Å; V380-T400 VanDerWaalsContact CG2-OG1 3.27Å; V380-T400 WeakPolarHBondContact CG2-OG1 3.48Å
381D88.5Confident90.6Very high48 Ų4855.1 Ų55.126%0.25726%0.262SS..EExtended strand (participates in β ladder)trans-144.7151.4-179.5-166.110.9000110.4K383 D398D381-K383 VanDerWaalsContact CG-NZ 3.26Å; D381-K383 IonicContact OD1-NZ 3.79Å; D381-K383 PolarHBondContact OD1-NZ 3.44Å; D381-K383 VanDerWaalsContact OD2-CE 3.22Å; D381-K383 WeakPolarHBondContact OD2-CE 3.31Å; D381-K383 IonicContact OD2-NZ 2.9Å; D381-K383 PolarHBondContact OD2-NZ 3.21Å; D381-D398 PolarHBondContact O-N 2.92Å
382C90.6Very high90.7Very high1 Ų152.8 Ų52.81%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-134.1125.8178.5-88.30000109.4W349 V379 K396W349-C382 HydrophobicContact CD2-CB 3.47Å; W349-C382 VanDerWaalsContact CD2-CB 3.47Å; W349-C382 HydrophobicContact CE3-CB 3.7Å; W349-C382 HydrophobicContact CG-CB 3.85Å; W349-C382 HydrophobicContact CH2-CB 4.16Å; W349-C382 HydrophobicContact CZ2-CB 3.97Å; W349-C382 HydrophobicContact CZ3-CB 4.02Å; W349-C382 PolarHBondContact NE1-O 2.86Å; V379-C382 VanDerWaalsContact CG1-SG 3.52Å; C382-K396 CarbonylContact C-O 3.54Å; C382-K396 VanDerWaalsContact CA-O 3.28Å; C382-K396 WeakPolarHBondContact CA-O 3.31Å
383K92.3Very high90.9Very high90 Ų9048.4 Ų48.439%0.39123%0.232SC..EExtended strand (participates in β ladder)trans-115.1135.2170.7-57.5-60.4-177-131.60110.7D381 V395 K396D381-K383 VanDerWaalsContact CG-NZ 3.26Å; D381-K383 IonicContact OD1-NZ 3.79Å; D381-K383 PolarHBondContact OD1-NZ 3.44Å; D381-K383 VanDerWaalsContact OD2-CE 3.22Å; D381-K383 WeakPolarHBondContact OD2-CE 3.31Å; D381-K383 IonicContact OD2-NZ 2.9Å; D381-K383 PolarHBondContact OD2-NZ 3.21Å; K383-V395 WeakPolarHBondContact O-CA 3.33Å; K383-K396 HydrophobicContact CB-CB 4.24Å; K383-K396 PolarHBondContact N-O 2.94Å; K383-K396 PolarHBondContact O-N 3.36Å
384L93.8Very high91Very high18 Ų1846.3 Ų46.39%0.09422%0.219CC..EExtended strand (participates in β ladder)trans-101.3113.2-178.3-57.6175.6000109.6A347 V360 L393 V395A347-L384 HydrophobicContact CB-CD1 3.99Å; V360-L384 HydrophobicContact CG1-CD2 4.17Å; L384-L393 HydrophobicContact CB-CD1 4.23Å; L384-V395 HydrophobicContact CD2-CG1 4.16Å; L384-V395 HydrophobicContact CD2-CG2 3.81Å
385H94.6Very high91.1Very high59 Ų5942.9 Ų42.927%0.27321%0.207SC..EExtended strand (participates in β ladder)trans-114.8100.3179.2-64-76.9000110.9C394 F435 W437H385-C394 HydrophobicContact CB-CB 4.25Å; H385-C394 PolarHBondContact N-O 2.86Å; H385-C394 PolarHBondContact O-N 2.88Å; H385-F435 HydrophobicContact CB-CD1 3.69Å; H385-F435 HydrophobicContact CB-CE1 3.66Å; H385-F435 AromaticContact CD2-CD1 3.82Å; H385-F435 AromaticContact CG-CD1 3.6Å; H385-W437 PolarHBondContact O-NE1 2.95Å
386W94.7Very high91.1Very high32 Ų3240.2 Ų40.212%0.12119%0.191CC..EExtended strand (participates in β ladder)trans-77.3139.4173.1-72.7106.6000111.7S338 W339 P341 A347 L362 L393 M416S338-W386 PolarHBondContact O-NE1 3.05Å; S338-W386 VanDerWaalsContact OG-CD1 3.3Å; W339-W386 PolarHBondContact O-NE1 2.86Å; P341-W386 HydrophobicContact CG-CB 4.2Å; A347-W386 HydrophobicContact CB-CZ2 3.5Å; L362-W386 HydrophobicContact CD2-CH2 3.8Å; L362-W386 HydrophobicContact CD2-CZ2 4.02Å; W386-L393 HydrophobicContact CD2-CB 4.18Å; W386-L393 HydrophobicContact CD2-CD1 3.78Å; W386-L393 HydrophobicContact CD2-CG 4.47Å; W386-L393 HydrophobicContact CE3-CB 3.73Å; W386-L393 HydrophobicContact CE3-CD1 4.23Å; W386-L393 HydrophobicContact CE3-CG 4.48Å; W386-L393 HydrophobicContact CG-CD1 4.05Å; W386-L393 HydrophobicContact CH2-CB 4.06Å; W386-L393 HydrophobicContact CH2-CD2 4.14Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ2-CD2 4.06Å; W386-L393 HydrophobicContact CZ3-CB 3.66Å; W386-M416 HydrophobicContact CH2-CE 4.37Å; W386-M416 HydrophobicContact CH2-SD 4.37Å; W386-M416 HydrophobicContact CZ3-CG 4Å; W386-M416 HydrophobicContact CZ3-SD 4.31Å
387Q93.3Very high91.3Very high1 Ų140.1 Ų40.11%0.00519%0.19CC..  trans-74.1147.1164.8-173.8-13417.200109.3P341 N389 G390 D391 Y392 W437 G441P341-Q387 WeakPolarHBondContact CG-O 3.14Å; Q387-N389 PolarHBondContact O-N 3.4Å; Q387-N389 VanDerWaalsContact O-N 3.09Å; Q387-G390 PolarHBondContact O-N 2.85Å; Q387-D391 PolarHBondContact OE1-OD2 3.19Å; Q387-Y392 HydrophobicContact CB-CD2 4.49Å; Q387-Y392 WeakPolarHBondContact CB-O 3.22Å; Q387-Y392 HydrophobicContact CG-CD2 4.26Å; Q387-Y392 PolarHBondContact N-O 3.06Å; Q387-W437 HydrophobicContact CB-CB 4.49Å; Q387-W437 HydrophobicContact CB-CD2 4.09Å; Q387-W437 HydrophobicContact CB-CG 4.02Å; Q387-W437 HydrophobicContact CG-CB 4.41Å; Q387-W437 HydrophobicContact CG-CD2 4.34Å; Q387-W437 HydrophobicContact CG-CE3 4.42Å; Q387-W437 HydrophobicContact CG-CG 4.34Å; Q387-G441 PolarHBondContact NE2-O 3.17Å
388R89.4Confident91.5Very high139 Ų13935 Ų3553%0.52517%0.169SC..THydrogen-bonded Turntrans-54.7-32.3-171.1-168.4174.7-173.6175.13.3115.2P341 P485P341-R388 WeakPolarHBondContact CB-O 3.44Å; P341-R388 VanDerWaalsContact CG-O 3.31Å; P341-R388 WeakPolarHBondContact CG-O 3.25Å; R388-P485 PolarHBondContact NH1-O 2.93Å
389N88.6Confident91.6Very high62 Ų6235.1 Ų35.133%0.33217%0.165SC..THydrogen-bonded Turntrans-89.1-8.4178.1-68.9-5.6000113.5Q387 D391 R417 N440Q387-N389 PolarHBondContact O-N 3.4Å; Q387-N389 VanDerWaalsContact O-N 3.09Å; N389-D391 VanDerWaalsContact C-N 3.34Å; N389-D391 WeakPolarHBondContact CB-OD2 3.11Å; N389-R417 PolarHBondContact O-NH2 2.83Å; N389-N440 PolarHBondContact OD1-OD1 3.44Å
390G91.2Very high91.4Very high0 Ų036.9 Ų36.90%018%0.176CC..SBendtrans77.412.4-175.200000114.7Q387 M416Q387-G390 PolarHBondContact O-N 2.85Å; G390-M416 WeakPolarHBondContact O-CB 3.18Å; G390-M416 WeakPolarHBondContact O-CG 3.37Å
391D91.2Very high91Very high36 Ų3634.6 Ų34.619%0.19316%0.163CC..SBendtrans-75.7-30.7-178.5-49.9-42.1000111.9Q387 N389 M416 R417Q387-D391 PolarHBondContact OE1-OD2 3.19Å; N389-D391 VanDerWaalsContact C-N 3.34Å; N389-D391 WeakPolarHBondContact CB-OD2 3.11Å; D391-M416 WeakPolarHBondContact O-CB 3.32Å; D391-M416 PolarHBondContact O-N 3.32Å; D391-R417 HydrophobicContact CB-CG 3.98Å; D391-R417 IonicContact OD1-CZ 3.46Å; D391-R417 IonicContact OD1-NE 3.13Å; D391-R417 PolarHBondContact OD1-NE 2.91Å; D391-R417 IonicContact OD1-NH2 2.72Å; D391-R417 PolarHBondContact OD1-NH2 3.47Å
392Y93.1Very high90.3Very high23 Ų2340.9 Ų40.99%0.0919%0.188CC..EExtended strand (participates in β ladder)trans-127.8142.7177.6-50.2-76.5000112.4Q387 I413 F414 R415 W437 S442 V461Q387-Y392 HydrophobicContact CB-CD2 4.49Å; Q387-Y392 WeakPolarHBondContact CB-O 3.22Å; Q387-Y392 HydrophobicContact CG-CD2 4.26Å; Q387-Y392 PolarHBondContact N-O 3.06Å; Y392-I413 HydrophobicContact CD1-CG2 4.41Å; Y392-F414 WeakPolarHBondContact CA-O 3.31Å; Y392-R415 HydrophobicContact CD1-CB 4.42Å; Y392-R415 HydrophobicContact CD1-CG 4.11Å; Y392-R415 HydrophobicContact CE1-CB 4.44Å; Y392-R415 HydrophobicContact CE1-CG 4.09Å; Y392-W437 HydrophobicContact CD2-CZ3 4.46Å; Y392-W437 HydrophobicContact CG-CH2 4.22Å; Y392-S442 WeakPolarHBondContact CE2-OG 3.3Å; Y392-S442 PolarHBondContact OH-OG 2.88Å; Y392-V461 HydrophobicContact CE1-CG1 4.03Å
393L94.9Very high89.3Confident0 Ų045 Ų450%023%0.23CC..EExtended strand (participates in β ladder)trans-117.6121.1164.7168.866.6000108.3A347 L362 L384 W386 V395 I413 F414A347-L393 HydrophobicContact CB-CD2 3.8Å; L362-L393 HydrophobicContact CD2-CD2 3.72Å; L384-L393 HydrophobicContact CB-CD1 4.23Å; W386-L393 HydrophobicContact CD2-CB 4.18Å; W386-L393 HydrophobicContact CD2-CD1 3.78Å; W386-L393 HydrophobicContact CD2-CG 4.47Å; W386-L393 HydrophobicContact CE3-CB 3.73Å; W386-L393 HydrophobicContact CE3-CD1 4.23Å; W386-L393 HydrophobicContact CE3-CG 4.48Å; W386-L393 HydrophobicContact CG-CD1 4.05Å; W386-L393 HydrophobicContact CH2-CB 4.06Å; W386-L393 HydrophobicContact CH2-CD2 4.14Å; W386-L393 HydrophobicContact CZ2-CD1 4.34Å; W386-L393 HydrophobicContact CZ2-CD2 4.06Å; W386-L393 HydrophobicContact CZ3-CB 3.66Å; L393-V395 HydrophobicContact CD2-CG2 4.16Å; L393-V395 HydrophobicContact CG-CG2 4.11Å; L393-I413 CarbonylContact O-C 3.59Å; L393-I413 WeakPolarHBondContact O-CA 3.31Å; L393-F414 HydrophobicContact CB-CB 4.18Å; L393-F414 HydrophobicContact CD2-CD2 4.32Å; L393-F414 HydrophobicContact CG-CD2 4.36Å; L393-F414 PolarHBondContact N-O 2.83Å; L393-F414 VanDerWaalsContact N-O 3.07Å; L393-F414 PolarHBondContact O-N 3.44Å
394C94.8Very high88.2Confident0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-96.3124.6168.1-176.40000109.1H385 F411 I413 F435 W437H385-C394 HydrophobicContact CB-CB 4.25Å; H385-C394 PolarHBondContact N-O 2.86Å; H385-C394 PolarHBondContact O-N 2.88Å; C394-F411 WeakPolarHBondContact SG-CD1 3.38Å; C394-I413 HydrophobicContact CB-CG1 4.45Å; C394-F435 HydrophobicContact CB-CE1 3.76Å; C394-F435 HydrophobicContact CB-CE2 4.12Å; C394-F435 HydrophobicContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact SG-CE2 3.52Å; C394-F435 VanDerWaalsContact SG-CZ 3.51Å; C394-W437 HydrophobicContact CB-CZ2 3.63Å
395V94.6Very high87Confident1 Ų153.7 Ų53.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-102.4113.3169.5-174.50000107.7V360 K383 L384 L393 V397 F411 E412 F414V360-V395 HydrophobicContact CG1-CG2 4.11Å; V360-V395 HydrophobicContact CG2-CG1 4.07Å; K383-V395 WeakPolarHBondContact O-CA 3.33Å; L384-V395 HydrophobicContact CD2-CG1 4.16Å; L384-V395 HydrophobicContact CD2-CG2 3.81Å; L393-V395 HydrophobicContact CD2-CG2 4.16Å; L393-V395 HydrophobicContact CG-CG2 4.11Å; V395-V397 HydrophobicContact CB-CG2 4.34Å; V395-V397 HydrophobicContact CG1-CG2 3.62Å; V395-V397 PolarHBondContact O-N 3.09Å; V395-F411 WeakPolarHBondContact O-CA 3.3Å; V395-E412 HydrophobicContact CB-CB 4.41Å; V395-E412 PolarHBondContact N-O 3.22Å; V395-E412 PolarHBondContact O-N 2.79Å; V395-F414 HydrophobicContact CB-CE2 4.26Å; V395-F414 HydrophobicContact CG2-CD2 3.93Å; V395-F414 HydrophobicContact CG2-CE2 3.43Å; V395-F414 VanDerWaalsContact CG2-CE2 3.43Å; V395-F414 HydrophobicContact CG2-CZ 4.4Å
396K93.9Very high85.7Confident30 Ų3052.5 Ų52.513%0.1328%0.282CS..EExtended strand (participates in β ladder)trans-79.9114.5168.3-174.5-155.7-177.4-139.10107.5C382 K383 D398 T409 F411C382-K396 CarbonylContact C-O 3.54Å; C382-K396 VanDerWaalsContact CA-O 3.28Å; C382-K396 WeakPolarHBondContact CA-O 3.31Å; K383-K396 HydrophobicContact CB-CB 4.24Å; K383-K396 PolarHBondContact N-O 2.94Å; K383-K396 PolarHBondContact O-N 3.36Å; K396-D398 WeakPolarHBondContact CE-OD1 3.45Å; K396-D398 IonicContact NZ-OD1 2.81Å; K396-D398 PolarHBondContact NZ-OD1 2.83Å; K396-D398 VanDerWaalsContact NZ-OD1 3.1Å; K396-D398 IonicContact NZ-OD2 2.71Å; K396-D398 PolarHBondContact NZ-OD2 3.16Å; K396-T409 HydrophobicContact CD-CG2 4.39Å; K396-T409 HydrophobicContact CG-CG2 3.68Å; K396-F411 HydrophobicContact CB-CD1 4.04Å; K396-F411 HydrophobicContact CB-CE1 3.83Å; K396-F411 HydrophobicContact CG-CD1 4.21Å; K396-F411 HydrophobicContact CG-CE1 3.73Å
397V92.5Very high85Confident0 Ų054.6 Ų54.60%030%0.298CS..EExtended strand (participates in β ladder)trans-113.8112.4-179.2-173.40000108.6L376 V379 V395 R399 T409 N410 E412L376-V397 HydrophobicContact CD1-CG1 4.06Å; L376-V397 HydrophobicContact CD1-CG2 3.78Å; V379-V397 HydrophobicContact CB-CG1 4.38Å; V379-V397 HydrophobicContact CG1-CG1 3.87Å; V379-V397 HydrophobicContact CG2-CG1 3.71Å; V395-V397 HydrophobicContact CB-CG2 4.34Å; V395-V397 HydrophobicContact CG1-CG2 3.62Å; V395-V397 PolarHBondContact O-N 3.09Å; V397-R399 HydrophobicContact CG1-CG 3.79Å; V397-T409 WeakPolarHBondContact O-CA 3.41Å; V397-N410 HydrophobicContact CB-CB 4.46Å; V397-N410 PolarHBondContact N-O 2.87Å; V397-N410 PolarHBondContact O-N 3.5Å; V397-E412 HydrophobicContact CG2-CG 4.37Å
398D90.3Very high84.7Confident23 Ų2355.9 Ų55.912%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-89.5116.5174.6-64.4-17.8000107.9V380 D381 K396 V407 T409V380-D398 PolarHBondContact N-O 3.15Å; D381-D398 PolarHBondContact O-N 2.92Å; K396-D398 WeakPolarHBondContact CE-OD1 3.45Å; K396-D398 IonicContact NZ-OD1 2.81Å; K396-D398 PolarHBondContact NZ-OD1 2.83Å; K396-D398 VanDerWaalsContact NZ-OD1 3.1Å; K396-D398 IonicContact NZ-OD2 2.71Å; K396-D398 PolarHBondContact NZ-OD2 3.16Å; D398-V407 HydrophobicContact CB-CG1 3.94Å; D398-T409 VanDerWaalsContact OD1-CG2 3.28Å; D398-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T409 PolarHBondContact OD1-OG1 2.97Å
399R87.6Confident84.7Confident62 Ų6249.4 Ų49.423%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-114.4144.3-177.3-61.6-170.5-176.4173.33.4111L376 N378 V397 V407 V408 N410 E412L376-R399 VanDerWaalsContact CD2-NH2 3.3Å; N378-R399 WeakPolarHBondContact O-CA 3.31Å; V397-R399 HydrophobicContact CG1-CG 3.79Å; R399-V407 CarbonylContact O-C 3.56Å; R399-V407 WeakPolarHBondContact O-CA 3.21Å; R399-V408 PolarHBondContact N-O 3.23Å; R399-V408 PolarHBondContact O-N 3.43Å; R399-N410 VanDerWaalsContact CZ-ND2 3.33Å; R399-N410 PolarHBondContact NE-ND2 3.1Å; R399-N410 PolarHBondContact NH1-ND2 2.96Å; R399-E412 IonicContact NH2-OE1 3.15Å; R399-E412 PolarHBondContact NH2-OE1 2.91Å
400T83.6Confident84.9Confident55 Ų5547 Ų4734%0.33727%0.269SS..  trans-110.7104.8168.8-55.10000108.6N378 V380N378-T400 PolarHBondContact O-N 3.26Å; V380-T400 VanDerWaalsContact CG2-OG1 3.27Å; V380-T400 WeakPolarHBondContact CG2-OG1 3.48Å
401P78.1Confident84.9Confident47 Ų4747 Ų4731%0.30527%0.269SS..  trans-59.8138.9177.3-19.531.7000110.8G403 T404 G406 V408P401-G403 PolarHBondContact O-N 3.25Å; P401-T404 PolarHBondContact O-N 2.84Å; P401-G406 VanDerWaalsContact CD-O 3.25Å; P401-G406 WeakPolarHBondContact CD-O 3.39Å; P401-V408 HydrophobicContact CG-CG2 3.9Å
402K73.8Confident85Confident179 Ų17945.3 Ų45.378%0.77826%0.26SS*.THydrogen-bonded Turntrans-61.1114.6174.7-68.6-173.7178.1-1780109.3N378N378-K402 VanDerWaalsContact OD1-CE 3.25Å; N378-K402 WeakPolarHBondContact OD1-CE 3.37Å
403G69.9Low85Confident87 Ų8744.2 Ų44.290%0.89726%0.255SS*.THydrogen-bonded Turntrans97.56177.400000116.1P401P401-G403 PolarHBondContact O-N 3.25Å
404T69.1Low84.9Confident86 Ų8644.2 Ų44.253%0.52826%0.255SS..  trans-126.4135.2173.3-45.10000110.1P401 G406P401-T404 PolarHBondContact O-N 2.84Å; T404-G406 PolarHBondContact O-N 3.13Å
405Q67.1Low84.8Confident205 Ų20544.3 Ų44.396%0.95826%0.256SS*.SBendtrans-76.82.8177.1-72-176.1-18.500113.5
406G68.6Low84.5Confident34 Ų3445.4 Ų45.435%0.35126%0.261SS..SBendtrans-97.7133.2-178.400000112.2P401 T404P401-G406 VanDerWaalsContact CD-O 3.25Å; P401-G406 WeakPolarHBondContact CD-O 3.39Å; T404-G406 PolarHBondContact O-N 3.13Å
407V79.7Confident84.3Confident76 Ų7650.7 Ų50.746%0.46128%0.28SS..PPolyproline II helixtrans-78.8123.1169.21800000108.2D398 R399D398-V407 HydrophobicContact CB-CG1 3.94Å; R399-V407 CarbonylContact O-C 3.56Å; R399-V407 WeakPolarHBondContact O-CA 3.21Å
408V86.3Confident84Confident28 Ų2854.2 Ų54.217%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-102.6134.4173.1-179.90000107.8R399 P401 E427R399-V408 PolarHBondContact N-O 3.23Å; R399-V408 PolarHBondContact O-N 3.43Å; P401-V408 HydrophobicContact CG-CG2 3.9Å; V408-E427 HydrophobicContact CG1-CG 4Å
409T90.3Very high83.8Confident3 Ų362.7 Ų62.72%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-106.6125.8-178.6-54.40000110K396 V397 D398 M428 I432K396-T409 HydrophobicContact CD-CG2 4.39Å; K396-T409 HydrophobicContact CG-CG2 3.68Å; V397-T409 WeakPolarHBondContact O-CA 3.41Å; D398-T409 VanDerWaalsContact OD1-CG2 3.28Å; D398-T409 WeakPolarHBondContact OD1-CG2 3.48Å; D398-T409 PolarHBondContact OD1-OG1 2.97Å; T409-M428 PolarHBondContact N-O 2.95Å; T409-M428 VanDerWaalsContact N-O 3.1Å; T409-M428 PolarHBondContact O-N 3.07Å; T409-M428 VanDerWaalsContact O-O 3.05Å; T409-I432 HydrophobicContact CG2-CB 4.37Å; T409-I432 HydrophobicContact CG2-CD1 3.32Å; T409-I432 HydrophobicContact CG2-CG1 4.35Å
410N91.5Very high83.6Confident12 Ų1268.6 Ų68.66%0.06436%0.363CS..EExtended strand (participates in β ladder)trans-109.7133.1175.2-68-12.2000109.8V397 R399 E427V397-N410 HydrophobicContact CB-CB 4.46Å; V397-N410 PolarHBondContact N-O 2.87Å; V397-N410 PolarHBondContact O-N 3.5Å; R399-N410 VanDerWaalsContact CZ-ND2 3.33Å; R399-N410 PolarHBondContact NE-ND2 3.1Å; R399-N410 PolarHBondContact NH1-ND2 2.96Å; N410-E427 WeakPolarHBondContact OD1-CG 3.35Å
411F92.9Very high83.8Confident0 Ų066.4 Ų66.40%035%0.349CS..EExtended strand (participates in β ladder)trans-97.5118.8166.1-66.5-64.1000109.6C394 V395 K396 V425 V426 M428 I432 F435 V446C394-F411 WeakPolarHBondContact SG-CD1 3.38Å; V395-F411 WeakPolarHBondContact O-CA 3.3Å; K396-F411 HydrophobicContact CB-CD1 4.04Å; K396-F411 HydrophobicContact CB-CE1 3.83Å; K396-F411 HydrophobicContact CG-CD1 4.21Å; K396-F411 HydrophobicContact CG-CE1 3.73Å; F411-V425 WeakPolarHBondContact O-CA 3.38Å; F411-V426 HydrophobicContact CB-CB 4.31Å; F411-V426 PolarHBondContact N-O 3.28Å; F411-V426 PolarHBondContact O-N 2.94Å; F411-M428 HydrophobicContact CD2-CE 3.83Å; F411-M428 HydrophobicContact CD2-CG 4.37Å; F411-M428 HydrophobicContact CD2-SD 4.4Å; F411-M428 HydrophobicContact CE2-CE 3.61Å; F411-M428 HydrophobicContact CE2-CG 4.32Å; F411-M428 HydrophobicContact CE2-SD 3.87Å; F411-I432 HydrophobicContact CD2-CD1 4.17Å; F411-I432 HydrophobicContact CE1-CD1 4.28Å; F411-I432 HydrophobicContact CE2-CD1 3.21Å; F411-I432 HydrophobicContact CE2-CG1 4.28Å; F411-I432 HydrophobicContact CZ-CD1 3.31Å; F411-I432 HydrophobicContact CZ-CG1 4.16Å; F411-I432 HydrophobicContact CZ-CG2 3.94Å; F411-F435 HydrophobicContact CD1-CD2 4.13Å; F411-F435 HydrophobicContact CD1-CE2 4.37Å; F411-F435 HydrophobicContact CE1-CB 4.29Å; F411-F435 AromaticContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CE2 4.19Å; F411-F435 HydrophobicContact CE1-CG 4.12Å; F411-F435 HydrophobicContact CE2-CD2 4.44Å; F411-F435 HydrophobicContact CZ-CB 4.43Å; F411-F435 AromaticContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CE2 4.46Å; F411-F435 HydrophobicContact CZ-CG 4.44Å; F411-V446 HydrophobicContact CE2-CG1 3.87Å; F411-V446 HydrophobicContact CE2-CG2 3.91Å; F411-V446 HydrophobicContact CZ-CG1 3.84Å; F411-V446 HydrophobicContact CZ-CG2 4.08Å
412E92.2Very high84.4Confident0 Ų066.2 Ų66.20%035%0.348CS..EExtended strand (participates in β ladder)trans-103.5110171.4-56.8-157.7170.600108.9R374 L376 V395 V397 R399 F414 V423 D424 V425R374-E412 WeakPolarHBondContact CG-OE2 3Å; R374-E412 IonicContact CZ-OE1 2.95Å; R374-E412 IonicContact CZ-OE2 3.02Å; R374-E412 IonicContact NE-OE1 2.71Å; R374-E412 IonicContact NE-OE2 2.88Å; R374-E412 PolarHBondContact NE-OE2 2.93Å; R374-E412 IonicContact NH2-OE1 2.8Å; R374-E412 PolarHBondContact NH2-OE1 3.03Å; R374-E412 IonicContact NH2-OE2 3.78Å; L376-E412 VanDerWaalsContact CD2-CD 3.48Å; L376-E412 WeakPolarHBondContact CD2-OE1 3.39Å; L376-E412 WeakPolarHBondContact CD2-OE2 3.22Å; V395-E412 HydrophobicContact CB-CB 4.41Å; V395-E412 PolarHBondContact N-O 3.22Å; V395-E412 PolarHBondContact O-N 2.79Å; V397-E412 HydrophobicContact CG2-CG 4.37Å; R399-E412 IonicContact NH2-OE1 3.15Å; R399-E412 PolarHBondContact NH2-OE1 2.91Å; E412-F414 HydrophobicContact CB-CE2 4.06Å; E412-V423 HydrophobicContact CB-CG1 3.95Å; E412-D424 CarbonylContact C-O 3.6Å; E412-D424 WeakPolarHBondContact CA-O 3.25Å; E412-V425 HydrophobicContact CG-CG2 4.36Å
413I93.3Very high85.2Confident0 Ų059 Ų590%032%0.319CS..EExtended strand (participates in β ladder)trans-100.3113-177.3-51.5-165.7000109.2Y392 L393 C394 V423 D424 W437 F444 I467Y392-I413 HydrophobicContact CD1-CG2 4.41Å; L393-I413 CarbonylContact O-C 3.59Å; L393-I413 WeakPolarHBondContact O-CA 3.31Å; C394-I413 HydrophobicContact CB-CG1 4.45Å; I413-V423 WeakPolarHBondContact O-CA 3.43Å; I413-D424 PolarHBondContact N-O 2.95Å; I413-D424 PolarHBondContact O-N 3.08Å; I413-W437 HydrophobicContact CD1-CH2 4.01Å; I413-W437 HydrophobicContact CD1-CZ2 4.41Å; I413-W437 HydrophobicContact CG2-CH2 3.94Å; I413-W437 HydrophobicContact CG2-CZ2 4.14Å; I413-F444 HydrophobicContact CD1-CD1 4.31Å; I413-F444 HydrophobicContact CD1-CE1 3.49Å; I413-F444 VanDerWaalsContact CD1-CE1 3.49Å; I413-F444 HydrophobicContact CD1-CZ 3.68Å; I413-I467 HydrophobicContact CB-CD1 4.16Å; I413-I467 HydrophobicContact CD1-CD1 3.51Å; I413-I467 HydrophobicContact CG1-CD1 3.96Å
414F93.3Very high86.2Confident0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-89.5130.5176.2-63.3-106.9000109.5L362 R372 R374 Y392 L393 V395 E412 M416 V421 V423L362-F414 HydrophobicContact CD1-CB 4.47Å; L362-F414 HydrophobicContact CD1-CD1 3.85Å; L362-F414 HydrophobicContact CD1-CE1 4.47Å; L362-F414 HydrophobicContact CD1-CG 4.35Å; R372-F414 HydrophobicContact CG-CD1 4.4Å; R372-F414 HydrophobicContact CG-CE1 4.25Å; R374-F414 HydrophobicContact CB-CE1 3.99Å; R374-F414 HydrophobicContact CB-CZ 3.76Å; R374-F414 HydrophobicContact CG-CZ 4Å; Y392-F414 WeakPolarHBondContact CA-O 3.31Å; L393-F414 HydrophobicContact CB-CB 4.18Å; L393-F414 HydrophobicContact CD2-CD2 4.32Å; L393-F414 HydrophobicContact CG-CD2 4.36Å; L393-F414 PolarHBondContact N-O 2.83Å; L393-F414 VanDerWaalsContact N-O 3.07Å; L393-F414 PolarHBondContact O-N 3.44Å; V395-F414 HydrophobicContact CB-CE2 4.26Å; V395-F414 HydrophobicContact CG2-CD2 3.93Å; V395-F414 HydrophobicContact CG2-CE2 3.43Å; V395-F414 VanDerWaalsContact CG2-CE2 3.43Å; V395-F414 HydrophobicContact CG2-CZ 4.4Å; E412-F414 HydrophobicContact CB-CE2 4.06Å; F414-M416 HydrophobicContact CB-SD 4.5Å; F414-V421 HydrophobicContact CB-CG1 4.08Å; F414-V421 HydrophobicContact CD1-CG1 4.18Å; F414-V423 HydrophobicContact CD1-CG2 3.53Å; F414-V423 HydrophobicContact CE1-CG1 4.49Å; F414-V423 HydrophobicContact CE1-CG2 3.57Å; F414-V423 HydrophobicContact CE2-CG1 4.33Å; F414-V423 HydrophobicContact CG-CG2 4.15Å; F414-V423 HydrophobicContact CZ-CG1 4.32Å; F414-V423 HydrophobicContact CZ-CG2 4.2Å
415R91.3Very high87.2Confident2 Ų256 Ų561%0.00828%0.281CS..EExtended strand (participates in β ladder)trans-101.4104.4177.1-52.9-172.4179.8-144.6-8.1110.7Y392 R417 E418 V421 P422 D424 V461 K462 G465Y392-R415 HydrophobicContact CD1-CB 4.42Å; Y392-R415 HydrophobicContact CD1-CG 4.11Å; Y392-R415 HydrophobicContact CE1-CB 4.44Å; Y392-R415 HydrophobicContact CE1-CG 4.09Å; R415-R417 PolarHBondContact O-N 3.34Å; R415-E418 HydrophobicContact CB-CB 4.3Å; R415-E418 HydrophobicContact CB-CG 4.35Å; R415-E418 VanDerWaalsContact CD-CD 3.43Å; R415-E418 WeakPolarHBondContact CD-OE1 3.32Å; R415-E418 IonicContact CZ-OE1 2.61Å; R415-E418 IonicContact NE-OE1 3.61Å; R415-E418 IonicContact NH1-OE1 2.78Å; R415-E418 PolarHBondContact NH1-OE1 2.86Å; R415-V421 WeakPolarHBondContact O-CA 3.49Å; R415-P422 HydrophobicContact CB-CG 4.06Å; R415-P422 HydrophobicContact CG-CG 4.34Å; R415-P422 PolarHBondContact N-O 3.44Å; R415-D424 IonicContact CZ-OD2 2.82Å; R415-D424 IonicContact NE-OD2 2.72Å; R415-D424 PolarHBondContact NE-OD2 3.35Å; R415-D424 IonicContact NH2-OD2 3.5Å; R415-D424 PolarHBondContact NH2-OD2 3.04Å; R415-V461 VanDerWaalsContact NH2-CG1 3.26Å; R415-K462 PolarHBondContact NH1-O 2.86Å; R415-G465 VanDerWaalsContact NH1-CA 3.29Å; R415-G465 PolarHBondContact NH2-O 2.77Å
416M89.5Confident88.2Confident24 Ų2447.4 Ų47.412%0.11824%0.243CC..THydrogen-bonded Turntrans-74.9-27-171.4-59.8-56.6-65.800113.5I345 L362 W386 G390 D391 F414 V421I345-M416 HydrophobicContact CD1-CE 3.47Å; I345-M416 VanDerWaalsContact CD1-CE 3.47Å; I345-M416 HydrophobicContact CG2-CE 4.27Å; L362-M416 HydrophobicContact CD1-CE 4Å; L362-M416 HydrophobicContact CD1-SD 3.61Å; W386-M416 HydrophobicContact CH2-CE 4.37Å; W386-M416 HydrophobicContact CH2-SD 4.37Å; W386-M416 HydrophobicContact CZ3-CG 4Å; W386-M416 HydrophobicContact CZ3-SD 4.31Å; G390-M416 WeakPolarHBondContact O-CB 3.18Å; G390-M416 WeakPolarHBondContact O-CG 3.37Å; D391-M416 WeakPolarHBondContact O-CB 3.32Å; D391-M416 PolarHBondContact O-N 3.32Å; F414-M416 HydrophobicContact CB-SD 4.5Å; M416-V421 HydrophobicContact SD-CG1 3.98Å
417R88.5Confident89.1Confident141 Ų14151.8 Ų51.853%0.53225%0.254SS..THydrogen-bonded Turntrans-86.2-13.5-177-58.2-59.7-176.3-159.6-5.5114D343 N389 D391 R415D343-R417 IonicContact OD1-CZ 3.45Å; D343-R417 IonicContact OD1-NH1 2.76Å; D343-R417 PolarHBondContact OD1-NH1 2.91Å; D343-R417 IonicContact OD1-NH2 2.69Å; D343-R417 IonicContact OD2-CZ 3.1Å; D343-R417 IonicContact OD2-NH1 3.69Å; D343-R417 PolarHBondContact OD2-NH1 2.8Å; D343-R417 IonicContact OD2-NH2 2.91Å; N389-R417 PolarHBondContact O-NH2 2.83Å; D391-R417 HydrophobicContact CB-CG 3.98Å; D391-R417 IonicContact OD1-CZ 3.46Å; D391-R417 IonicContact OD1-NE 3.13Å; D391-R417 PolarHBondContact OD1-NE 2.91Å; D391-R417 IonicContact OD1-NH2 2.72Å; D391-R417 PolarHBondContact OD1-NH2 3.47Å; R415-R417 PolarHBondContact O-N 3.34Å
418E86.8Confident89.4Confident75 Ų7548.8 Ų48.835%0.3524%0.236SC..SBendtrans-91.5148.1179.3-68.2-178.6-155.800111.1R415 Q420 V421 P422R415-E418 HydrophobicContact CB-CB 4.3Å; R415-E418 HydrophobicContact CB-CG 4.35Å; R415-E418 VanDerWaalsContact CD-CD 3.43Å; R415-E418 WeakPolarHBondContact CD-OE1 3.32Å; R415-E418 IonicContact CZ-OE1 2.61Å; R415-E418 IonicContact NE-OE1 3.61Å; R415-E418 IonicContact NH1-OE1 2.78Å; R415-E418 PolarHBondContact NH1-OE1 2.86Å; E418-Q420 PolarHBondContact O-N 3.04Å; E418-V421 PolarHBondContact O-N 3.37Å; E418-P422 HydrophobicContact CB-CG 3.85Å; E418-P422 WeakPolarHBondContact OE2-CG 3.19Å
419K85.5Confident89.2Confident201 Ų20156 Ų5687%0.87426%0.264SS*.THydrogen-bonded Turntrans-60.6138.7180-71.4-173.1178.7-178.70110.3V421K419-V421 PolarHBondContact O-N 3.34Å
420Q83.9Confident89Confident186 Ų18660 Ų6087%0.86928%0.283SS*.THydrogen-bonded Turntrans65.97.5-178.5-55.3-176.7-14.500116.1E418E418-Q420 PolarHBondContact O-N 3.04Å
421V88.9Confident88.7Confident9 Ų962.5 Ų62.56%0.05530%0.301CS..  trans50.570.7177.8-168.60000111.6L362 I371 R372 F414 R415 M416 E418 K419L362-V421 HydrophobicContact CD1-CG1 4.19Å; I371-V421 HydrophobicContact CG2-CG2 4.12Å; R372-V421 HydrophobicContact CB-CB 4.49Å; R372-V421 HydrophobicContact CG-CB 4.45Å; F414-V421 HydrophobicContact CB-CG1 4.08Å; F414-V421 HydrophobicContact CD1-CG1 4.18Å; R415-V421 WeakPolarHBondContact O-CA 3.49Å; M416-V421 HydrophobicContact SD-CG1 3.98Å; E418-V421 PolarHBondContact O-N 3.37Å; K419-V421 PolarHBondContact O-N 3.34Å
422P90.5Very high88.6Confident42 Ų4263.2 Ų63.227%0.27331%0.305SS..  trans-60.8149.8176.325.4-30.8000110.7R415 E418R415-P422 HydrophobicContact CB-CG 4.06Å; R415-P422 HydrophobicContact CG-CG 4.34Å; R415-P422 PolarHBondContact N-O 3.44Å; E418-P422 HydrophobicContact CB-CG 3.85Å; E418-P422 WeakPolarHBondContact OE2-CG 3.19Å
423V90.4Very high88.4Confident29 Ų2967.1 Ų67.118%0.17633%0.325CS..EExtended strand (participates in β ladder)trans-122.5115.2-177-175.70000108.5E412 I413 F414E412-V423 HydrophobicContact CB-CG1 3.95Å; I413-V423 WeakPolarHBondContact O-CA 3.43Å; F414-V423 HydrophobicContact CD1-CG2 3.53Å; F414-V423 HydrophobicContact CE1-CG1 4.49Å; F414-V423 HydrophobicContact CE1-CG2 3.57Å; F414-V423 HydrophobicContact CE2-CG1 4.33Å; F414-V423 HydrophobicContact CG-CG2 4.15Å; F414-V423 HydrophobicContact CZ-CG1 4.32Å; F414-V423 HydrophobicContact CZ-CG2 4.2Å
424D90.4Very high88.3Confident35 Ų3568 Ų6819%0.18733%0.333CS..EExtended strand (participates in β ladder)trans-93.6137174.6-61.9-36.7000109.5E412 I413 R415 I467E412-D424 CarbonylContact C-O 3.6Å; E412-D424 WeakPolarHBondContact CA-O 3.25Å; I413-D424 PolarHBondContact N-O 2.95Å; I413-D424 PolarHBondContact O-N 3.08Å; R415-D424 IonicContact CZ-OD2 2.82Å; R415-D424 IonicContact NE-OD2 2.72Å; R415-D424 PolarHBondContact NE-OD2 3.35Å; R415-D424 IonicContact NH2-OD2 3.5Å; R415-D424 PolarHBondContact NH2-OD2 3.04Å; D424-I467 HydrophobicContact CB-CD1 3.48Å; D424-I467 VanDerWaalsContact CB-CD1 3.48Å; D424-I467 HydrophobicContact CB-CG1 4.23Å
425V89.9Confident88.4Confident74 Ų7469 Ų6945%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-111.4123.7179.9-175.40000109F411 E412F411-V425 WeakPolarHBondContact O-CA 3.38Å; E412-V425 HydrophobicContact CG-CG2 4.36Å
426V89.3Confident88.5Confident24 Ų2469.9 Ų69.915%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-115.5114.9171.4-1780000107.8F411 M428 Y459 I467F411-V426 HydrophobicContact CB-CB 4.31Å; F411-V426 PolarHBondContact N-O 3.28Å; F411-V426 PolarHBondContact O-N 2.94Å; V426-M428 HydrophobicContact CG1-CE 4.15Å; V426-Y459 HydrophobicContact CG1-CE1 4.43Å; V426-I467 HydrophobicContact CG2-CB 4.06Å; V426-I467 HydrophobicContact CG2-CD1 3.47Å; V426-I467 VanDerWaalsContact CG2-CD1 3.47Å; V426-I467 HydrophobicContact CG2-CG1 4.38Å; V426-I467 HydrophobicContact CG2-CG2 4.02Å
427E86.8Confident88.7Confident126 Ų12669.8 Ų69.859%0.58934%0.343SS*.EExtended strand (participates in β ladder)trans-91.7130.6178.4179.2171.2-175.200110.3V408 N410V408-E427 HydrophobicContact CG1-CG 4Å; N410-E427 WeakPolarHBondContact OD1-CG 3.35Å
428M85.5Confident89Confident14 Ų1463.8 Ų63.87%0.06932%0.321CS..EExtended strand (participates in β ladder)trans-123.4126.9172.8-63.2-155-167.400110.4T409 F411 V426 I432 V446 Y459T409-M428 PolarHBondContact N-O 2.95Å; T409-M428 VanDerWaalsContact N-O 3.1Å; T409-M428 PolarHBondContact O-N 3.07Å; T409-M428 VanDerWaalsContact O-O 3.05Å; F411-M428 HydrophobicContact CD2-CE 3.83Å; F411-M428 HydrophobicContact CD2-CG 4.37Å; F411-M428 HydrophobicContact CD2-SD 4.4Å; F411-M428 HydrophobicContact CE2-CE 3.61Å; F411-M428 HydrophobicContact CE2-CG 4.32Å; F411-M428 HydrophobicContact CE2-SD 3.87Å; V426-M428 HydrophobicContact CG1-CE 4.15Å; M428-I432 HydrophobicContact CB-CD1 3.88Å; M428-I432 HydrophobicContact CG-CD1 4.21Å; M428-I432 HydrophobicContact SD-CD1 3.87Å; M428-I432 HydrophobicContact SD-CG1 4.36Å; M428-V446 HydrophobicContact CE-CB 4.35Å; M428-V446 HydrophobicContact CE-CG1 4.3Å; M428-V446 HydrophobicContact CE-CG2 4.08Å; M428-V446 HydrophobicContact SD-CG1 4.11Å; M428-Y459 HydrophobicContact CE-CD2 4.3Å; M428-Y459 HydrophobicContact CE-CE1 4.13Å; M428-Y459 HydrophobicContact CE-CE2 3.33Å; M428-Y459 WeakPolarHBondContact CE-OH 3.44Å
429K83.3Confident89.1Confident179 Ų17961 Ų6178%0.77831%0.309SS*.  trans-81.2-22.6-179.1-64.4-175.8179.2-178.60113.3
430E84.8Confident89.1Confident88 Ų8855.4 Ų55.441%0.41129%0.289SS..SBendtrans-87.8154.4-180-65.2-177.3-172.100111.2I432 H448E430-I432 PolarHBondContact O-N 3.42Å; E430-H448 HydrophobicContact CB-CB 4.28Å; E430-H448 IonicContact OE2-CE1 3.69Å; E430-H448 PolarHBondContact OE2-CE1 2.98Å; E430-H448 IonicContact OE2-CG 2.99Å; E430-H448 IonicContact OE2-ND1 3.82Å; E430-H448 PolarHBondContact OE2-ND1 3.07Å
431S85.8Confident89.2Confident64 Ų6447.1 Ų47.145%0.44825%0.254SS..PPolyproline II helixtrans-64.2130.9174.246.60000110.6H448 G449S431-H448 CarbonylContact O-C 3.6Å; S431-H448 WeakPolarHBondContact O-CA 3.43Å; S431-G449 PolarHBondContact O-N 2.69Å; S431-G449 PolarHBondContact OG-O 2.8Å
432I90.1Very high89.3Confident15 Ų1548 Ų488%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-98.2128.1178.6-75.1154.6000110.3T409 F411 M428 E430 V446 H448T409-I432 HydrophobicContact CG2-CB 4.37Å; T409-I432 HydrophobicContact CG2-CD1 3.32Å; T409-I432 HydrophobicContact CG2-CG1 4.35Å; F411-I432 HydrophobicContact CD2-CD1 4.17Å; F411-I432 HydrophobicContact CE1-CD1 4.28Å; F411-I432 HydrophobicContact CE2-CD1 3.21Å; F411-I432 HydrophobicContact CE2-CG1 4.28Å; F411-I432 HydrophobicContact CZ-CD1 3.31Å; F411-I432 HydrophobicContact CZ-CG1 4.16Å; F411-I432 HydrophobicContact CZ-CG2 3.94Å; M428-I432 HydrophobicContact CB-CD1 3.88Å; M428-I432 HydrophobicContact CG-CD1 4.21Å; M428-I432 HydrophobicContact SD-CD1 3.87Å; M428-I432 HydrophobicContact SD-CG1 4.36Å; E430-I432 PolarHBondContact O-N 3.42Å; I432-V446 HydrophobicContact CD1-CG1 4.21Å; I432-V446 HydrophobicContact CG1-CG1 3.85Å; I432-V446 HydrophobicContact CG2-CG1 3.98Å; I432-H448 HydrophobicContact CG1-CB 3.96Å
433I89.6Confident89.4Confident81 Ų8148 Ų4842%0.41526%0.256SS..EExtended strand (participates in β ladder)trans-93.3-48.7179.8-56173.3000110L447 G449 I454I433-L447 HydrophobicContact CB-CB 4.4Å; I433-L447 PolarHBondContact N-O 3.09Å; I433-G449 WeakPolarHBondContact CD1-O 3.39Å; I433-I454 HydrophobicContact CD1-CB 4.46Å; I433-I454 HydrophobicContact CD1-CD1 3.63Å; I433-I454 HydrophobicContact CD1-CG1 3.71Å; I433-I454 HydrophobicContact CD1-CG2 3.95Å
434A91Very high89.5Confident20 Ų2046.6 Ų46.617%0.16525%0.248CC..EExtended strand (participates in β ladder)trans-142.5148.5-174.700000112.1V446 L447 I481A434-V446 WeakPolarHBondContact O-CA 3.23Å; A434-L447 HydrophobicContact CB-CB 4.08Å; A434-L447 HydrophobicContact CB-CD1 4.02Å; A434-L447 HydrophobicContact CB-CG 4.28Å; A434-L447 PolarHBondContact N-O 3.23Å; A434-L447 PolarHBondContact O-N 2.88Å; A434-I481 HydrophobicContact CB-CD1 4.22Å; A434-I481 HydrophobicContact CB-CG1 4.43Å
435F94.2Very high89.7Confident21 Ų2145 Ų459%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-135.4133.1174.8174.8-82.6000108.4H385 C394 F411 W437 F444 V446H385-F435 HydrophobicContact CB-CD1 3.69Å; H385-F435 HydrophobicContact CB-CE1 3.66Å; H385-F435 AromaticContact CD2-CD1 3.82Å; H385-F435 AromaticContact CG-CD1 3.6Å; C394-F435 HydrophobicContact CB-CE1 3.76Å; C394-F435 HydrophobicContact CB-CE2 4.12Å; C394-F435 HydrophobicContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact CB-CZ 3.44Å; C394-F435 VanDerWaalsContact SG-CE2 3.52Å; C394-F435 VanDerWaalsContact SG-CZ 3.51Å; F411-F435 HydrophobicContact CD1-CD2 4.13Å; F411-F435 HydrophobicContact CD1-CE2 4.37Å; F411-F435 HydrophobicContact CE1-CB 4.29Å; F411-F435 AromaticContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CD2 3.51Å; F411-F435 HydrophobicContact CE1-CE2 4.19Å; F411-F435 HydrophobicContact CE1-CG 4.12Å; F411-F435 HydrophobicContact CE2-CD2 4.44Å; F411-F435 HydrophobicContact CZ-CB 4.43Å; F411-F435 AromaticContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CD2 3.66Å; F411-F435 HydrophobicContact CZ-CE2 4.46Å; F411-F435 HydrophobicContact CZ-CG 4.44Å; F435-W437 AromaticContact CE1-CD1 3.56Å; F435-W437 HydrophobicContact CE1-CD2 4.18Å; F435-W437 AromaticContact CE1-CE2 3.84Å; F435-W437 AromaticContact CE1-CG 4Å; F435-W437 HydrophobicContact CE1-CG 4Å; F435-W437 AromaticContact CE1-NE1 3.44Å; F435-W437 HydrophobicContact CZ-CD2 4.05Å; F435-W437 AromaticContact CZ-CE2 3.64Å; F435-W437 HydrophobicContact CZ-CG 4.35Å; F435-W437 HydrophobicContact CZ-CZ2 4Å; F435-W437 AromaticContact CZ-NE1 3.73Å; F435-F444 HydrophobicContact CD2-CD2 4.12Å; F435-F444 HydrophobicContact CE2-CB 4.19Å; F435-F444 AromaticContact CE2-CD2 3.32Å; F435-F444 HydrophobicContact CE2-CD2 3.32Å; F435-F444 AromaticContact CE2-CE2 3.76Å; F435-F444 HydrophobicContact CE2-CE2 3.76Å; F435-F444 AromaticContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CZ-CB 3.98Å; F435-F444 AromaticContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CG 4.01Å; F435-V446 HydrophobicContact CD2-CG2 3.86Å; F435-V446 HydrophobicContact CE2-CG2 4.32Å
436A94.4Very high89.9Confident19 Ų1941.6 Ų41.616%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-146.6131.717600000112.4F444 A445 I481 W483A436-F444 WeakPolarHBondContact O-CA 3.34Å; A436-A445 PolarHBondContact N-O 3.23Å; A436-A445 PolarHBondContact O-N 3.38Å; A436-I481 HydrophobicContact CB-CB 3.88Å; A436-I481 HydrophobicContact CB-CD1 4.27Å; A436-I481 HydrophobicContact CB-CG2 3.7Å; A436-W483 PolarHBondContact O-NE1 2.95Å
437W94.3Very high90.1Very high23 Ų2340.4 Ų40.49%0.08721%0.211CC..EExtended strand (participates in β ladder)trans-77.2145.4173-76.8114.5000111.7H385 Q387 Y392 C394 I413 F435 P439 F444 V461H385-W437 PolarHBondContact O-NE1 2.95Å; Q387-W437 HydrophobicContact CB-CB 4.49Å; Q387-W437 HydrophobicContact CB-CD2 4.09Å; Q387-W437 HydrophobicContact CB-CG 4.02Å; Q387-W437 HydrophobicContact CG-CB 4.41Å; Q387-W437 HydrophobicContact CG-CD2 4.34Å; Q387-W437 HydrophobicContact CG-CE3 4.42Å; Q387-W437 HydrophobicContact CG-CG 4.34Å; Y392-W437 HydrophobicContact CD2-CZ3 4.46Å; Y392-W437 HydrophobicContact CG-CH2 4.22Å; C394-W437 HydrophobicContact CB-CZ2 3.63Å; I413-W437 HydrophobicContact CD1-CH2 4.01Å; I413-W437 HydrophobicContact CD1-CZ2 4.41Å; I413-W437 HydrophobicContact CG2-CH2 3.94Å; I413-W437 HydrophobicContact CG2-CZ2 4.14Å; F435-W437 AromaticContact CE1-CD1 3.56Å; F435-W437 HydrophobicContact CE1-CD2 4.18Å; F435-W437 AromaticContact CE1-CE2 3.84Å; F435-W437 AromaticContact CE1-CG 4Å; F435-W437 HydrophobicContact CE1-CG 4Å; F435-W437 AromaticContact CE1-NE1 3.44Å; F435-W437 HydrophobicContact CZ-CD2 4.05Å; F435-W437 AromaticContact CZ-CE2 3.64Å; F435-W437 HydrophobicContact CZ-CG 4.35Å; F435-W437 HydrophobicContact CZ-CZ2 4Å; F435-W437 AromaticContact CZ-NE1 3.73Å; W437-P439 WeakPolarHBondContact O-CD 3.21Å; W437-F444 HydrophobicContact CD2-CB 4.12Å; W437-F444 HydrophobicContact CE3-CB 3.63Å; W437-F444 HydrophobicContact CE3-CD1 4.15Å; W437-F444 HydrophobicContact CE3-CG 4.29Å; W437-F444 AromaticContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CE1 4.38Å; W437-F444 HydrophobicContact CH2-CG 4.49Å; W437-F444 HydrophobicContact CZ3-CB 3.92Å; W437-F444 AromaticContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CE1 4.39Å; W437-F444 HydrophobicContact CZ3-CG 4.08Å; W437-V461 HydrophobicContact CH2-CG2 4.21Å; W437-V461 HydrophobicContact CZ3-CG2 4.17Å
438E93.3Very high90.3Very high14 Ų1434.8 Ų34.87%0.06519%0.185CC..PPolyproline II helixtrans-63.7125.2163.3-178.3179.4-14400109.7N440 G441 K443 W483 Q488E438-N440 PolarHBondContact O-N 2.54Å; E438-G441 PolarHBondContact O-N 3.09Å; E438-G441 WeakPolarHBondContact OE2-CA 3.37Å; E438-K443 HydrophobicContact CB-CB 4.12Å; E438-K443 WeakPolarHBondContact CB-O 3.33Å; E438-K443 PolarHBondContact N-O 3.17Å; E438-K443 WeakPolarHBondContact OE1-CE 3Å; E438-K443 IonicContact OE1-NZ 3.46Å; E438-K443 PolarHBondContact OE1-NZ 3Å; E438-K443 WeakPolarHBondContact OE2-CB 3.42Å; E438-K443 WeakPolarHBondContact OE2-CE 3.29Å; E438-K443 IonicContact OE2-NZ 2.71Å; E438-K443 PolarHBondContact OE2-NZ 2.93Å; E438-W483 HydrophobicContact CB-CD2 4.48Å; E438-W483 HydrophobicContact CB-CE3 4.08Å; E438-W483 HydrophobicContact CB-CH2 3.96Å; E438-W483 HydrophobicContact CB-CZ2 4.4Å; E438-W483 HydrophobicContact CB-CZ3 3.8Å; E438-W483 HydrophobicContact CG-CE3 4.04Å; E438-W483 HydrophobicContact CG-CH2 4.43Å; E438-W483 HydrophobicContact CG-CZ3 3.81Å; E438-Q488 PolarHBondContact OE1-N 2.79Å; E438-Q488 VanDerWaalsContact OE1-N 3.08Å
439P89.3Confident90.4Very high18 Ų1834.5 Ų34.512%0.11719%0.186CC..THydrogen-bonded Turntrans-59.8129.4172.5-27.138.5000110.7W437 G441 W483 S484W437-P439 WeakPolarHBondContact O-CD 3.21Å; P439-G441 PolarHBondContact O-N 2.96Å; P439-G441 VanDerWaalsContact O-N 3.15Å; P439-W483 HydrophobicContact CG-CB 3.79Å; P439-S484 WeakPolarHBondContact CG-O 3.42Å
440N85.1Confident90.4Very high82 Ų8233.4 Ų33.444%0.43918%0.183SC..THydrogen-bonded Turntrans60.317.9178.7-43.9-40.7000115.1N389 E438 P485N389-N440 PolarHBondContact OD1-OD1 3.44Å; E438-N440 PolarHBondContact O-N 2.54Å; N440-P485 PolarHBondContact ND2-O 3.05Å
441G87.3Confident90.1Very high13 Ų1333.7 Ų33.713%0.13420%0.195CC..SBendtrans-138.9173.4-178.200000113.8Q387 E438 P439Q387-G441 PolarHBondContact NE2-O 3.17Å; E438-G441 PolarHBondContact O-N 3.09Å; E438-G441 WeakPolarHBondContact OE2-CA 3.37Å; P439-G441 PolarHBondContact O-N 2.96Å; P439-G441 VanDerWaalsContact O-N 3.15Å
442S90.3Very high89.7Confident28 Ų2835.6 Ų35.620%0.19621%0.206CC..SBendtrans-104.218.3-176.2-48.20000113.2Y392 H460 V461Y392-S442 WeakPolarHBondContact CE2-OG 3.3Å; Y392-S442 PolarHBondContact OH-OG 2.88Å; S442-H460 PolarHBondContact O-ND1 2.95Å; S442-V461 WeakPolarHBondContact O-CB 3.42Å; S442-V461 PolarHBondContact O-N 3.07Å
443K92.2Very high89.3Confident40 Ų4043.3 Ų43.317%0.17423%0.234CC..EExtended strand (participates in β ladder)trans-99.5154.3173.5-60.3-172.7-62.7-640110E438 Y459 H460 I470 T507E438-K443 HydrophobicContact CB-CB 4.12Å; E438-K443 WeakPolarHBondContact CB-O 3.33Å; E438-K443 PolarHBondContact N-O 3.17Å; E438-K443 WeakPolarHBondContact OE1-CE 3Å; E438-K443 IonicContact OE1-NZ 3.46Å; E438-K443 PolarHBondContact OE1-NZ 3Å; E438-K443 WeakPolarHBondContact OE2-CB 3.42Å; E438-K443 WeakPolarHBondContact OE2-CE 3.29Å; E438-K443 IonicContact OE2-NZ 2.71Å; E438-K443 PolarHBondContact OE2-NZ 2.93Å; K443-Y459 VanDerWaalsContact CA-O 3.31Å; K443-Y459 WeakPolarHBondContact CA-O 3.45Å; K443-H460 HydrophobicContact CG-CB 4.3Å; K443-I470 HydrophobicContact CD-CD1 4Å; K443-T507 WeakPolarHBondContact CE-O 3.38Å; K443-T507 WeakPolarHBondContact CE-OG1 3.24Å
444F93.8Very high89.3Confident1 Ų139.9 Ų39.90%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-144.8155.2170.963.8-89.1000110.9I413 F435 A436 W437 V446 Y459 V461 I467I413-F444 HydrophobicContact CD1-CD1 4.31Å; I413-F444 HydrophobicContact CD1-CE1 3.49Å; I413-F444 VanDerWaalsContact CD1-CE1 3.49Å; I413-F444 HydrophobicContact CD1-CZ 3.68Å; F435-F444 HydrophobicContact CD2-CD2 4.12Å; F435-F444 HydrophobicContact CE2-CB 4.19Å; F435-F444 AromaticContact CE2-CD2 3.32Å; F435-F444 HydrophobicContact CE2-CD2 3.32Å; F435-F444 AromaticContact CE2-CE2 3.76Å; F435-F444 HydrophobicContact CE2-CE2 3.76Å; F435-F444 AromaticContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CE2-CG 3.88Å; F435-F444 HydrophobicContact CZ-CB 3.98Å; F435-F444 AromaticContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CD2 3.93Å; F435-F444 HydrophobicContact CZ-CG 4.01Å; A436-F444 WeakPolarHBondContact O-CA 3.34Å; W437-F444 HydrophobicContact CD2-CB 4.12Å; W437-F444 HydrophobicContact CE3-CB 3.63Å; W437-F444 HydrophobicContact CE3-CD1 4.15Å; W437-F444 HydrophobicContact CE3-CG 4.29Å; W437-F444 AromaticContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CD1 3.85Å; W437-F444 HydrophobicContact CH2-CE1 4.38Å; W437-F444 HydrophobicContact CH2-CG 4.49Å; W437-F444 HydrophobicContact CZ3-CB 3.92Å; W437-F444 AromaticContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CD1 3.5Å; W437-F444 HydrophobicContact CZ3-CE1 4.39Å; W437-F444 HydrophobicContact CZ3-CG 4.08Å; F444-V446 HydrophobicContact CD2-CG2 3.71Å; F444-V446 HydrophobicContact CE2-CG2 3.73Å; F444-Y459 HydrophobicContact CD2-CD2 4.01Å; F444-Y459 HydrophobicContact CD2-CG 4.31Å; F444-Y459 VanDerWaalsContact CE1-CB 3.44Å; F444-Y459 HydrophobicContact CE1-CG 4.28Å; F444-Y459 VanDerWaalsContact CE2-CB 3.5Å; F444-Y459 AromaticContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CD2 3.44Å; F444-Y459 VanDerWaalsContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CE2 4.34Å; F444-Y459 AromaticContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CZ-CD1 4.27Å; F444-Y459 AromaticContact CZ-CD2 3.95Å; F444-Y459 HydrophobicContact CZ-CD2 3.95Å; F444-Y459 AromaticContact CZ-CG 3.56Å; F444-Y459 HydrophobicContact CZ-CG 3.56Å; F444-Y459 PolarHBondContact N-O 2.87Å; F444-Y459 PolarHBondContact O-N 3.24Å; F444-V461 HydrophobicContact CD1-CG2 4.18Å; F444-V461 HydrophobicContact CE1-CG2 3.94Å; F444-I467 HydrophobicContact CE1-CG2 3.95Å; F444-I467 HydrophobicContact CZ-CG2 3.96Å
445A93.5Very high89.4Confident2 Ų240 Ų402%0.01722%0.215CC..EExtended strand (participates in β ladder)trans-117.2143.9176.600000110.2A436 S457 F458 I481 W483 M490A436-A445 PolarHBondContact N-O 3.23Å; A436-A445 PolarHBondContact O-N 3.38Å; A445-S457 WeakPolarHBondContact CA-O 3.45Å; A445-F458 HydrophobicContact CB-CD1 3.85Å; A445-F458 HydrophobicContact CB-CE1 3.98Å; A445-I481 HydrophobicContact CB-CD1 3.96Å; A445-I481 HydrophobicContact CB-CG2 4.47Å; A445-W483 HydrophobicContact CB-CZ2 3.71Å; A445-M490 HydrophobicContact CB-CE 3.57Å; A445-M490 HydrophobicContact CB-SD 4.28Å
446V93.9Very high89.3Confident1 Ų139.1 Ų39.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-128.4129.8178.6-173.80000108.9F411 M428 I432 A434 F435 F444 A456 S457 Y459F411-V446 HydrophobicContact CE2-CG1 3.87Å; F411-V446 HydrophobicContact CE2-CG2 3.91Å; F411-V446 HydrophobicContact CZ-CG1 3.84Å; F411-V446 HydrophobicContact CZ-CG2 4.08Å; M428-V446 HydrophobicContact CE-CB 4.35Å; M428-V446 HydrophobicContact CE-CG1 4.3Å; M428-V446 HydrophobicContact CE-CG2 4.08Å; M428-V446 HydrophobicContact SD-CG1 4.11Å; I432-V446 HydrophobicContact CD1-CG1 4.21Å; I432-V446 HydrophobicContact CG1-CG1 3.85Å; I432-V446 HydrophobicContact CG2-CG1 3.98Å; A434-V446 WeakPolarHBondContact O-CA 3.23Å; F435-V446 HydrophobicContact CD2-CG2 3.86Å; F435-V446 HydrophobicContact CE2-CG2 4.32Å; F444-V446 HydrophobicContact CD2-CG2 3.71Å; F444-V446 HydrophobicContact CE2-CG2 3.73Å; V446-A456 WeakPolarHBondContact O-CA 3.38Å; V446-S457 PolarHBondContact N-O 2.76Å; V446-S457 PolarHBondContact O-N 3.14Å; V446-Y459 HydrophobicContact CB-CE2 4.36Å; V446-Y459 HydrophobicContact CG2-CD2 4.06Å; V446-Y459 HydrophobicContact CG2-CE2 4.04Å
447L93.5Very high89.2Confident0 Ų038.2 Ų38.20%020%0.203CC..EExtended strand (participates in β ladder)trans-96.7122165.7-65.8179.8000108.8I433 A434 I454 N455 A456 A478 I481 L492I433-L447 HydrophobicContact CB-CB 4.4Å; I433-L447 PolarHBondContact N-O 3.09Å; A434-L447 HydrophobicContact CB-CB 4.08Å; A434-L447 HydrophobicContact CB-CD1 4.02Å; A434-L447 HydrophobicContact CB-CG 4.28Å; A434-L447 PolarHBondContact N-O 3.23Å; A434-L447 PolarHBondContact O-N 2.88Å; L447-I454 HydrophobicContact CB-CG2 4.09Å; L447-I454 HydrophobicContact CD2-CG2 4.24Å; L447-N455 WeakPolarHBondContact CA-O 3.39Å; L447-A456 HydrophobicContact CD2-CB 3.57Å; L447-A478 HydrophobicContact CD1-CB 4.29Å; L447-I481 HydrophobicContact CD1-CD1 4.23Å; L447-I481 HydrophobicContact CD1-CG1 3.7Å; L447-I481 HydrophobicContact CD2-CG1 4.42Å; L447-I481 HydrophobicContact CG-CD1 3.72Å; L447-I481 HydrophobicContact CG-CG1 3.7Å; L447-L492 HydrophobicContact CD2-CD2 4.22Å
448H91.6Very high89.1Confident7 Ų737.3 Ų37.33%0.03220%0.2CC..EExtended strand (participates in β ladder)trans-136.3159.9179.961.188000111.3E430 S431 I432 N455 S457E430-H448 HydrophobicContact CB-CB 4.28Å; E430-H448 IonicContact OE2-CE1 3.69Å; E430-H448 PolarHBondContact OE2-CE1 2.98Å; E430-H448 IonicContact OE2-CG 2.99Å; E430-H448 IonicContact OE2-ND1 3.82Å; E430-H448 PolarHBondContact OE2-ND1 3.07Å; S431-H448 CarbonylContact O-C 3.6Å; S431-H448 WeakPolarHBondContact O-CA 3.43Å; I432-H448 HydrophobicContact CG1-CB 3.96Å; H448-N455 VanDerWaalsContact CE1-CB 3.48Å; H448-N455 WeakPolarHBondContact CE1-CB 3.18Å; H448-N455 PolarHBondContact N-O 2.99Å; H448-N455 PolarHBondContact O-N 2.71Å; H448-S457 WeakPolarHBondContact NE2-CB 3.12Å; H448-S457 PolarHBondContact NE2-OG 3.27Å
449G87.8Confident89.1Confident8 Ų837.8 Ų37.88%0.08220%0.202CC..EExtended strand (participates in β ladder)trans106.1-172.2-174.200000112.2S431 I433S431-G449 PolarHBondContact O-N 2.69Å; S431-G449 PolarHBondContact OG-O 2.8Å; I433-G449 WeakPolarHBondContact CD1-O 3.39Å
450E83.8Confident89.2Confident156 Ų15640 Ų4073%0.72921%0.21SC*.EExtended strand (participates in β ladder)trans-122.6142.2-175.7-170.4172.8-161.900109.5R453E450-R453 CarbonylContact O-C 3.21Å; E450-R453 VanDerWaalsContact O-C 3.26Å; E450-R453 WeakPolarHBondContact O-CA 3.48Å; E450-R453 PolarHBondContact O-N 3.16Å
451S77.6Confident89.3Confident95 Ų9536.1 Ų36.166%0.66419%0.189SC*.THydrogen-bonded Turntrans-58.8129.9175.9-173.80000109.6
452P76.4Confident89.2Confident104 Ų10438.8 Ų38.868%0.67520%0.197SC*.THydrogen-bonded Turncis-98.96.81537.3-36.1000115.5
453R82.9Confident88.5Confident176 Ų17644.4 Ų44.466%0.66423%0.225SC*.EExtended strand (participates in β ladder)trans-106.472.1-177-66.6-177.2-69-168.4-3110.5E450E450-R453 CarbonylContact O-C 3.21Å; E450-R453 VanDerWaalsContact O-C 3.26Å; E450-R453 WeakPolarHBondContact O-CA 3.48Å; E450-R453 PolarHBondContact O-N 3.16Å
454I90Very high87.6Confident10 Ų1047.4 Ų47.45%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-87.7131.1175.4-55171.1000108.5I433 L447 K475 Q476 A478I433-I454 HydrophobicContact CD1-CB 4.46Å; I433-I454 HydrophobicContact CD1-CD1 3.63Å; I433-I454 HydrophobicContact CD1-CG1 3.71Å; I433-I454 HydrophobicContact CD1-CG2 3.95Å; L447-I454 HydrophobicContact CB-CG2 4.09Å; L447-I454 HydrophobicContact CD2-CG2 4.24Å; I454-K475 CarbonylContact O-C 3.48Å; I454-K475 PolarHBondContact O-N 3.1Å; I454-Q476 WeakPolarHBondContact CB-O 3.41Å; I454-Q476 WeakPolarHBondContact O-CA 3.39Å; I454-Q476 PolarHBondContact O-N 2.71Å; I454-A478 WeakPolarHBondContact CD1-O 3.45Å; I454-A478 WeakPolarHBondContact CG2-O 3.43Å
455N91.6Very high86.5Confident23 Ų2348.5 Ų48.512%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-105.5141.4176.4-61.4-27.3000109.3L447 H448 F473 D474 K475L447-N455 WeakPolarHBondContact CA-O 3.39Å; H448-N455 VanDerWaalsContact CE1-CB 3.48Å; H448-N455 WeakPolarHBondContact CE1-CB 3.18Å; H448-N455 PolarHBondContact N-O 2.99Å; H448-N455 PolarHBondContact O-N 2.71Å; N455-F473 CarbonylContact C-O 3.58Å; N455-F473 WeakPolarHBondContact CA-O 3.25Å; N455-D474 VanDerWaalsContact OD1-CA 3.3Å; N455-D474 WeakPolarHBondContact OD1-CA 3.38Å; N455-K475 PolarHBondContact OD1-N 3Å; N455-K475 VanDerWaalsContact OD1-N 3.11Å
456A92.4Very high86Confident1 Ų154.9 Ų54.91%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-110.5113.4176.600000109.8V446 L447 F458 M472 F473 Q476 L492V446-A456 WeakPolarHBondContact O-CA 3.38Å; L447-A456 HydrophobicContact CD2-CB 3.57Å; A456-F458 HydrophobicContact CB-CZ 4.2Å; A456-M472 CarbonylContact O-C 3.43Å; A456-M472 WeakPolarHBondContact O-CA 3.17Å; A456-F473 HydrophobicContact CB-CB 4.38Å; A456-F473 PolarHBondContact N-O 2.79Å; A456-F473 PolarHBondContact O-N 3.36Å; A456-Q476 HydrophobicContact CB-CG 4.34Å; A456-L492 HydrophobicContact CB-CD1 3.81Å
457S92.6Very high85.7Confident0 Ų056.5 Ų56.50%029%0.29CS..EExtended strand (participates in β ladder)trans-108.4133.4179.2-750000111.7A445 V446 H448 Y459 M472A445-S457 WeakPolarHBondContact CA-O 3.45Å; V446-S457 PolarHBondContact N-O 2.76Å; V446-S457 PolarHBondContact O-N 3.14Å; H448-S457 WeakPolarHBondContact NE2-CB 3.12Å; H448-S457 PolarHBondContact NE2-OG 3.27Å; S457-Y459 VanDerWaalsContact CB-CE2 3.47Å; S457-M472 WeakPolarHBondContact OG-CE 3.29Å
458F92.9Very high85.4Confident4 Ų460.2 Ų60.22%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-109.1128.9179.2-51.3-80.2000110.4A445 A456 L469 I470 K471 F473 M490 L492 V505 C510A445-F458 HydrophobicContact CB-CD1 3.85Å; A445-F458 HydrophobicContact CB-CE1 3.98Å; A456-F458 HydrophobicContact CB-CZ 4.2Å; F458-L469 WeakPolarHBondContact O-CD1 3.48Å; F458-I470 HydrophobicContact CB-CB 4.41Å; F458-I470 HydrophobicContact CB-CD1 4.44Å; F458-I470 PolarHBondContact O-N 3.34Å; F458-K471 HydrophobicContact CD2-CB 4.29Å; F458-K471 WeakPolarHBondContact CD2-O 3.12Å; F458-K471 PolarHBondContact N-O 3.22Å; F458-F473 HydrophobicContact CD2-CD2 4.4Å; F458-F473 HydrophobicContact CD2-CE2 4.33Å; F458-F473 AromaticContact CE2-CD2 3.19Å; F458-F473 HydrophobicContact CE2-CD2 3.19Å; F458-F473 AromaticContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CG 4.12Å; F458-F473 HydrophobicContact CE2-CZ 4.32Å; F458-F473 AromaticContact CZ-CD2 3.53Å; F458-F473 HydrophobicContact CZ-CD2 3.53Å; F458-F473 AromaticContact CZ-CE2 3.6Å; F458-F473 HydrophobicContact CZ-CE2 3.6Å; F458-M490 HydrophobicContact CD1-SD 4Å; F458-M490 HydrophobicContact CE1-CE 3.97Å; F458-M490 HydrophobicContact CE1-SD 3.4Å; F458-M490 WeakPolarHBondContact CE1-SD 2.93Å; F458-M490 HydrophobicContact CZ-SD 4.41Å; F458-L492 HydrophobicContact CZ-CD1 4.42Å; F458-V505 HydrophobicContact CE1-CG1 4.42Å; F458-V505 HydrophobicContact CZ-CG1 4.18Å; F458-C510 HydrophobicContact CD2-CB 4.46Å
459Y92.3Very high85.4Confident25 Ų2563.9 Ų63.910%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-119.5146.8-179-64.9-92.2000110.7V426 M428 K443 F444 V446 S457 I467 E468 L469V426-Y459 HydrophobicContact CG1-CE1 4.43Å; M428-Y459 HydrophobicContact CE-CD2 4.3Å; M428-Y459 HydrophobicContact CE-CE1 4.13Å; M428-Y459 HydrophobicContact CE-CE2 3.33Å; M428-Y459 WeakPolarHBondContact CE-OH 3.44Å; K443-Y459 VanDerWaalsContact CA-O 3.31Å; K443-Y459 WeakPolarHBondContact CA-O 3.45Å; F444-Y459 HydrophobicContact CD2-CD2 4.01Å; F444-Y459 HydrophobicContact CD2-CG 4.31Å; F444-Y459 VanDerWaalsContact CE1-CB 3.44Å; F444-Y459 HydrophobicContact CE1-CG 4.28Å; F444-Y459 VanDerWaalsContact CE2-CB 3.5Å; F444-Y459 AromaticContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CD2 3.44Å; F444-Y459 VanDerWaalsContact CE2-CD2 3.44Å; F444-Y459 HydrophobicContact CE2-CE2 4.34Å; F444-Y459 AromaticContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CE2-CG 3.57Å; F444-Y459 HydrophobicContact CZ-CD1 4.27Å; F444-Y459 AromaticContact CZ-CD2 3.95Å; F444-Y459 HydrophobicContact CZ-CD2 3.95Å; F444-Y459 AromaticContact CZ-CG 3.56Å; F444-Y459 HydrophobicContact CZ-CG 3.56Å; F444-Y459 PolarHBondContact N-O 2.87Å; F444-Y459 PolarHBondContact O-N 3.24Å; V446-Y459 HydrophobicContact CB-CE2 4.36Å; V446-Y459 HydrophobicContact CG2-CD2 4.06Å; V446-Y459 HydrophobicContact CG2-CE2 4.04Å; S457-Y459 VanDerWaalsContact CB-CE2 3.47Å; Y459-I467 HydrophobicContact CD1-CG2 4.07Å; Y459-I467 HydrophobicContact CG-CG2 4.48Å; Y459-E468 CarbonylContact C-O 3.57Å; Y459-E468 WeakPolarHBondContact CA-O 3.41Å; Y459-L469 HydrophobicContact CD1-CB 4.14Å; Y459-L469 HydrophobicContact CD1-CD1 4.22Å; Y459-L469 HydrophobicContact CD2-CD1 4.43Å; Y459-L469 HydrophobicContact CE1-CB 3.83Å; Y459-L469 HydrophobicContact CE1-CD1 3.73Å; Y459-L469 HydrophobicContact CE1-CG 4.37Å; Y459-L469 HydrophobicContact CE2-CD1 3.94Å
460H90.9Very high85.5Confident64 Ų6467.2 Ų67.230%0.29634%0.342SS..EExtended strand (participates in β ladder)trans-121127.8171.4-17638.4000110.5S442 K443 K462 I467 E468 I470S442-H460 PolarHBondContact O-ND1 2.95Å; K443-H460 HydrophobicContact CG-CB 4.3Å; H460-K462 PolarHBondContact O-N 3.44Å; H460-I467 WeakPolarHBondContact O-CA 3.34Å; H460-E468 PolarHBondContact N-O 3.26Å; H460-E468 PolarHBondContact O-N 2.84Å; H460-I470 HydrophobicContact CB-CD1 3.71Å; H460-I470 HydrophobicContact CB-CG1 3.82Å
461V88.5Confident85.8Confident0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-84.9104.6169.6-171.20000107.9Y392 R415 W437 S442 F444 I467Y392-V461 HydrophobicContact CE1-CG1 4.03Å; R415-V461 VanDerWaalsContact NH2-CG1 3.26Å; W437-V461 HydrophobicContact CH2-CG2 4.21Å; W437-V461 HydrophobicContact CZ3-CG2 4.17Å; S442-V461 WeakPolarHBondContact O-CB 3.42Å; S442-V461 PolarHBondContact O-N 3.07Å; F444-V461 HydrophobicContact CD1-CG2 4.18Å; F444-V461 HydrophobicContact CE1-CG2 3.94Å; V461-I467 HydrophobicContact CG1-CG1 4.43Å; V461-I467 HydrophobicContact CG2-CG1 4.25Å
462K84.8Confident86.4Confident70 Ų7062.9 Ų62.930%0.30431%0.311SS..  trans-75.6152.1175.8-73.2-175.4-179.5172.60110.8R415 H460 N464 G465 K466 E468R415-K462 PolarHBondContact NH1-O 2.86Å; H460-K462 PolarHBondContact O-N 3.44Å; K462-N464 WeakPolarHBondContact CB-OD1 3.48Å; K462-N464 PolarHBondContact O-N 2.95Å; K462-G465 PolarHBondContact O-N 3.35Å; K462-K466 WeakPolarHBondContact CB-O 3.41Å; K462-K466 PolarHBondContact N-O 3.39Å; K462-E468 VanDerWaalsContact CE-CD 3.44Å; K462-E468 WeakPolarHBondContact CE-OE1 3.39Å; K462-E468 WeakPolarHBondContact CE-OE2 3.33Å; K462-E468 IonicContact NZ-OE1 3.99Å; K462-E468 PolarHBondContact NZ-OE1 3.09Å; K462-E468 IonicContact NZ-OE2 3.23Å; K462-E468 PolarHBondContact NZ-OE2 3.08Å
463N75.9Confident87.1Confident145 Ų14559.2 Ų59.278%0.77528%0.284SS*.THydrogen-bonded Turntrans-60.4-16.5175.6-65.5-3.5000113.4G465N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.19Å
464N73.1Confident87.3Confident103 Ų10355.4 Ų55.455%0.55128%0.277SS*.THydrogen-bonded Turntrans-85.29.5-178.869.5-4.1000114.3K462 K466K462-N464 WeakPolarHBondContact CB-OD1 3.48Å; K462-N464 PolarHBondContact O-N 2.95Å; N464-K466 PolarHBondContact OD1-N 3.28Å
465G70.7Confident87.1Confident24 Ų2462.4 Ų62.425%0.24731%0.307CS..SBendtrans91.7-7.9-178.200000115R415 K462 N463R415-G465 VanDerWaalsContact NH1-CA 3.29Å; R415-G465 PolarHBondContact NH2-O 2.77Å; K462-G465 PolarHBondContact O-N 3.35Å; N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.19Å
466K82.4Confident86.7Confident137 Ų13763 Ų6360%0.59631%0.309SS*.  trans-104.1138.2-174.7-62.6-172.2178.7-176.30112.6K462 N464K462-K466 WeakPolarHBondContact CB-O 3.41Å; K462-K466 PolarHBondContact N-O 3.39Å; N464-K466 PolarHBondContact OD1-N 3.28Å
467I87.7Confident86.3Confident35 Ų3567.9 Ų67.918%0.17933%0.332CS..EExtended strand (participates in β ladder)trans-96.6123.4169.8-55.6166.7000107.2I413 D424 V426 F444 Y459 H460 V461I413-I467 HydrophobicContact CB-CD1 4.16Å; I413-I467 HydrophobicContact CD1-CD1 3.51Å; I413-I467 HydrophobicContact CG1-CD1 3.96Å; D424-I467 HydrophobicContact CB-CD1 3.48Å; D424-I467 VanDerWaalsContact CB-CD1 3.48Å; D424-I467 HydrophobicContact CB-CG1 4.23Å; V426-I467 HydrophobicContact CG2-CB 4.06Å; V426-I467 HydrophobicContact CG2-CD1 3.47Å; V426-I467 VanDerWaalsContact CG2-CD1 3.47Å; V426-I467 HydrophobicContact CG2-CG1 4.38Å; V426-I467 HydrophobicContact CG2-CG2 4.02Å; F444-I467 HydrophobicContact CE1-CG2 3.95Å; F444-I467 HydrophobicContact CZ-CG2 3.96Å; Y459-I467 HydrophobicContact CD1-CG2 4.07Å; Y459-I467 HydrophobicContact CG-CG2 4.48Å; H460-I467 WeakPolarHBondContact O-CA 3.34Å; V461-I467 HydrophobicContact CG1-CG1 4.43Å; V461-I467 HydrophobicContact CG2-CG1 4.25Å
468E88.4Confident86Confident77 Ų7768 Ų6836%0.3633%0.333SS..EExtended strand (participates in β ladder)trans-119.1138.4179.2-71.6178.8-156.600110.5Y459 H460 K462 I470Y459-E468 CarbonylContact C-O 3.57Å; Y459-E468 WeakPolarHBondContact CA-O 3.41Å; H460-E468 PolarHBondContact N-O 3.26Å; H460-E468 PolarHBondContact O-N 2.84Å; K462-E468 VanDerWaalsContact CE-CD 3.44Å; K462-E468 WeakPolarHBondContact CE-OE1 3.39Å; K462-E468 WeakPolarHBondContact CE-OE2 3.33Å; K462-E468 IonicContact NZ-OE1 3.99Å; K462-E468 PolarHBondContact NZ-OE1 3.09Å; K462-E468 IonicContact NZ-OE2 3.23Å; K462-E468 PolarHBondContact NZ-OE2 3.08Å; E468-I470 PolarHBondContact O-N 2.92Å
469L90.1Very high85.9Confident85 Ų8570.6 Ų70.645%0.44535%0.347SS..EExtended strand (participates in β ladder)trans-71.8120.9167.6178.571.7000108.1F458 Y459 M472F458-L469 WeakPolarHBondContact O-CD1 3.48Å; Y459-L469 HydrophobicContact CD1-CB 4.14Å; Y459-L469 HydrophobicContact CD1-CD1 4.22Å; Y459-L469 HydrophobicContact CD2-CD1 4.43Å; Y459-L469 HydrophobicContact CE1-CB 3.83Å; Y459-L469 HydrophobicContact CE1-CD1 3.73Å; Y459-L469 HydrophobicContact CE1-CG 4.37Å; Y459-L469 HydrophobicContact CE2-CD1 3.94Å; L469-M472 HydrophobicContact CD2-CE 4.48Å
470I89.7Confident85.9Confident77 Ų7771 Ų7140%0.39535%0.353SS..EExtended strand (participates in β ladder)trans-80.4-53.6177.9-49.8173.5000109.3K443 F458 H460 E468 C510K443-I470 HydrophobicContact CD-CD1 4Å; F458-I470 HydrophobicContact CB-CB 4.41Å; F458-I470 HydrophobicContact CB-CD1 4.44Å; F458-I470 PolarHBondContact O-N 3.34Å; H460-I470 HydrophobicContact CB-CD1 3.71Å; H460-I470 HydrophobicContact CB-CG1 3.82Å; E468-I470 PolarHBondContact O-N 2.92Å; I470-C510 HydrophobicContact CG2-CB 4.39Å
471K90.9Very high86Confident82 Ų8268.9 Ų68.936%0.35734%0.344SS..EExtended strand (participates in β ladder)trans-159.2155.8-174.2-159.1173.3-175.1173.40110.4F458 F473 C510F458-K471 HydrophobicContact CD2-CB 4.29Å; F458-K471 WeakPolarHBondContact CD2-O 3.12Å; F458-K471 PolarHBondContact N-O 3.22Å; K471-F473 HydrophobicContact CD-CE1 3.99Å; K471-F473 HydrophobicContact CD-CZ 4.18Å; K471-C510 HydrophobicContact CB-CB 3.81Å; K471-C510 HydrophobicContact CD-CB 3.7Å; K471-C510 WeakPolarHBondContact CD-O 3.37Å; K471-C510 WeakPolarHBondContact CE-O 3.22Å; K471-C510 HydrophobicContact CG-CB 4.43Å; K471-C510 PolarHBondContact NZ-O 3.47Å
472M91.1Very high86.3Confident78 Ų7871.6 Ų71.638%0.38436%0.356SS..EExtended strand (participates in β ladder)trans-124.6134.2172.3-176.5-179.7-77.800108.2A456 S457 L469A456-M472 CarbonylContact O-C 3.43Å; A456-M472 WeakPolarHBondContact O-CA 3.17Å; S457-M472 WeakPolarHBondContact OG-CE 3.29Å; L469-M472 HydrophobicContact CD2-CE 4.48Å
473F90.1Very high86.8Confident27 Ų2769.4 Ų69.412%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-107.3118.6166.9-65.4-50.6000108.9N455 A456 F458 K471 Q476 V505 C510N455-F473 CarbonylContact C-O 3.58Å; N455-F473 WeakPolarHBondContact CA-O 3.25Å; A456-F473 HydrophobicContact CB-CB 4.38Å; A456-F473 PolarHBondContact N-O 2.79Å; A456-F473 PolarHBondContact O-N 3.36Å; F458-F473 HydrophobicContact CD2-CD2 4.4Å; F458-F473 HydrophobicContact CD2-CE2 4.33Å; F458-F473 AromaticContact CE2-CD2 3.19Å; F458-F473 HydrophobicContact CE2-CD2 3.19Å; F458-F473 AromaticContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CE2 3.29Å; F458-F473 HydrophobicContact CE2-CG 4.12Å; F458-F473 HydrophobicContact CE2-CZ 4.32Å; F458-F473 AromaticContact CZ-CD2 3.53Å; F458-F473 HydrophobicContact CZ-CD2 3.53Å; F458-F473 AromaticContact CZ-CE2 3.6Å; F458-F473 HydrophobicContact CZ-CE2 3.6Å; K471-F473 HydrophobicContact CD-CE1 3.99Å; K471-F473 HydrophobicContact CD-CZ 4.18Å; F473-Q476 HydrophobicContact CB-CG 4.05Å; F473-V505 HydrophobicContact CE2-CG1 3.83Å; F473-V505 HydrophobicContact CE2-CG2 4.07Å; F473-V505 HydrophobicContact CZ-CG1 4.48Å; F473-C510 WeakPolarHBondContact CZ-O 3.43Å
474D87.9Confident87.6Confident96 Ų9662.5 Ų62.551%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-84155.8179.4-59-42.2000111.7N455 Q476N455-D474 VanDerWaalsContact OD1-CA 3.3Å; N455-D474 WeakPolarHBondContact OD1-CA 3.38Å; D474-Q476 PolarHBondContact O-N 3.02Å; D474-Q476 PolarHBondContact O-NE2 2.99Å
475K84.3Confident88.4Confident158 Ų15858.8 Ų58.869%0.68729%0.29SS*.EExtended strand (participates in β ladder)trans54.646168.1-57.1178.6-177.7176.60114.7I454 N455I454-K475 CarbonylContact O-C 3.48Å; I454-K475 PolarHBondContact O-N 3.1Å; N455-K475 PolarHBondContact OD1-N 3Å; N455-K475 VanDerWaalsContact OD1-N 3.11Å
476Q84.7Confident89.1Confident34 Ų3464.6 Ų64.616%0.15931%0.311CS..EExtended strand (participates in β ladder)trans-83149.4171.1-56.5-56-56.300110.8I454 A456 F473 D474 A478I454-Q476 WeakPolarHBondContact CB-O 3.41Å; I454-Q476 WeakPolarHBondContact O-CA 3.39Å; I454-Q476 PolarHBondContact O-N 2.71Å; A456-Q476 HydrophobicContact CB-CG 4.34Å; F473-Q476 HydrophobicContact CB-CG 4.05Å; D474-Q476 PolarHBondContact O-N 3.02Å; D474-Q476 PolarHBondContact O-NE2 2.99Å; Q476-A478 VanDerWaalsContact C-N 3.31Å
477Q84.3Confident89.3Confident105 Ų10558.2 Ų58.249%0.49128%0.284SS..  trans-96.422.7172.3-64.7-175.35.300112.2G494 A501Q477-G494 WeakPolarHBondContact O-CA 3.48Å; Q477-A501 HydrophobicContact CB-CB 4.3Å
478A86.4Confident89.4Confident3 Ų360.3 Ų60.33%0.02529%0.293CS..  trans-91.3136.5-177.100000111.4L447 I454 Q476 L492 A493L447-A478 HydrophobicContact CD1-CB 4.29Å; I454-A478 WeakPolarHBondContact CD1-O 3.45Å; I454-A478 WeakPolarHBondContact CG2-O 3.43Å; Q476-A478 VanDerWaalsContact C-N 3.31Å; A478-L492 HydrophobicContact CB-CB 3.64Å; A478-A493 WeakPolarHBondContact CA-O 3.35Å
479N90.3Very high89.6Confident57 Ų5758.2 Ų58.231%0.30528%0.283SS..  trans-113.9-17.8173.561.814.6000112.8A493 L495N479-A493 PolarHBondContact N-O 2.88Å; N479-A493 PolarHBondContact OD1-O 3.19Å; N479-L495 PolarHBondContact ND2-O 2.77Å; N479-L495 PolarHBondContact OD1-N 3.47Å
480S90.9Very high89.8Confident33 Ų3354.2 Ų54.223%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-130.6143.9-174.2-56.50000110.5F482 A493S480-F482 VanDerWaalsContact CB-CE2 3.47Å; S480-A493 PolarHBondContact N-O 2.92Å; S480-A493 PolarHBondContact O-N 3.19Å
481I94.2Very high90Very high20 Ų2050.6 Ų50.610%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-114125.3178.8-59.9165.9000109.5A434 A436 A445 L447 M490 L492A434-I481 HydrophobicContact CB-CD1 4.22Å; A434-I481 HydrophobicContact CB-CG1 4.43Å; A436-I481 HydrophobicContact CB-CB 3.88Å; A436-I481 HydrophobicContact CB-CD1 4.27Å; A436-I481 HydrophobicContact CB-CG2 3.7Å; A445-I481 HydrophobicContact CB-CD1 3.96Å; A445-I481 HydrophobicContact CB-CG2 4.47Å; L447-I481 HydrophobicContact CD1-CD1 4.23Å; L447-I481 HydrophobicContact CD1-CG1 3.7Å; L447-I481 HydrophobicContact CD2-CG1 4.42Å; L447-I481 HydrophobicContact CG-CD1 3.72Å; L447-I481 HydrophobicContact CG-CG1 3.7Å; I481-M490 HydrophobicContact CB-CE 4.47Å; I481-M490 HydrophobicContact CG2-CE 3.22Å; I481-L492 HydrophobicContact CG1-CD2 3.93Å; I481-L492 HydrophobicContact CG2-CD2 4.47Å
482F94.6Very high90.1Very high57 Ų5746.8 Ų46.825%0.2523%0.227CC..EExtended strand (participates in β ladder)trans-123.5111.1175.8-64.7-86.6000110.9S480 M490 V491 A493 L495 V524 W526S480-F482 VanDerWaalsContact CB-CE2 3.47Å; F482-M490 CarbonylContact O-C 3.58Å; F482-M490 WeakPolarHBondContact O-CA 3.45Å; F482-V491 HydrophobicContact CB-CB 4.49Å; F482-V491 PolarHBondContact N-O 2.81Å; F482-V491 PolarHBondContact O-N 3.42Å; F482-A493 HydrophobicContact CD2-CB 4.14Å; F482-A493 HydrophobicContact CE2-CB 4.18Å; F482-L495 HydrophobicContact CE2-CD1 3.6Å; F482-L495 HydrophobicContact CE2-CG 4.34Å; F482-L495 HydrophobicContact CZ-CD1 3.67Å; F482-V524 HydrophobicContact CB-CG1 4.1Å; F482-V524 HydrophobicContact CD1-CB 4.43Å; F482-V524 HydrophobicContact CD1-CG1 4.37Å; F482-V524 HydrophobicContact CD2-CB 3.88Å; F482-V524 HydrophobicContact CD2-CG1 3.9Å; F482-V524 HydrophobicContact CE1-CB 4.44Å; F482-V524 WeakPolarHBondContact CE1-O 3.45Å; F482-V524 HydrophobicContact CE2-CB 3.89Å; F482-V524 HydrophobicContact CE2-CG1 4.42Å; F482-V524 HydrophobicContact CE2-CG2 4.42Å; F482-V524 HydrophobicContact CG-CB 4.16Å; F482-V524 HydrophobicContact CG-CG1 3.86Å; F482-V524 HydrophobicContact CZ-CB 4.19Å; F482-W526 PolarHBondContact O-NE1 3.03Å
483W94.1Very high90.1Very high24 Ų2443 Ų439%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-87.9145.4177.3-72.187.1000112.4A436 E438 P439 A445 M490 T507 W526A436-W483 PolarHBondContact O-NE1 2.95Å; E438-W483 HydrophobicContact CB-CD2 4.48Å; E438-W483 HydrophobicContact CB-CE3 4.08Å; E438-W483 HydrophobicContact CB-CH2 3.96Å; E438-W483 HydrophobicContact CB-CZ2 4.4Å; E438-W483 HydrophobicContact CB-CZ3 3.8Å; E438-W483 HydrophobicContact CG-CE3 4.04Å; E438-W483 HydrophobicContact CG-CH2 4.43Å; E438-W483 HydrophobicContact CG-CZ3 3.81Å; P439-W483 HydrophobicContact CG-CB 3.79Å; A445-W483 HydrophobicContact CB-CZ2 3.71Å; W483-M490 HydrophobicContact CD2-CB 3.91Å; W483-M490 HydrophobicContact CD2-CE 4.49Å; W483-M490 HydrophobicContact CD2-SD 4.45Å; W483-M490 HydrophobicContact CE3-CB 3.92Å; W483-M490 HydrophobicContact CE3-SD 4.5Å; W483-M490 HydrophobicContact CG-CB 4.27Å; W483-M490 HydrophobicContact CH2-SD 3.91Å; W483-M490 HydrophobicContact CZ2-CE 4.02Å; W483-M490 HydrophobicContact CZ2-SD 3.8Å; W483-M490 HydrophobicContact CZ3-CB 4.45Å; W483-M490 HydrophobicContact CZ3-SD 4.25Å; W483-T507 HydrophobicContact CE3-CG2 4.38Å; W483-T507 HydrophobicContact CH2-CG2 3.43Å; W483-T507 VanDerWaalsContact CH2-CG2 3.43Å; W483-T507 HydrophobicContact CZ2-CG2 4.46Å; W483-T507 HydrophobicContact CZ3-CG2 3.36Å; W483-W526 VanDerWaalsContact O-CD1 3.29Å
484S93.7Very high90.1Very high0 Ų041.9 Ų41.90%020%0.204CC..  trans-63136.6168.5178.30000110.3P439 Q486 G487 F489 G530P439-S484 WeakPolarHBondContact CG-O 3.42Å; S484-Q486 PolarHBondContact O-N 3.3Å; S484-Q486 VanDerWaalsContact O-N 3.08Å; S484-G487 PolarHBondContact O-N 2.72Å; S484-F489 WeakPolarHBondContact CB-O 3.1Å; S484-F489 PolarHBondContact N-O 3.09Å; S484-G530 WeakPolarHBondContact OG-CA 3.44Å; S484-G530 PolarHBondContact OG-O 2.86Å
485P89.7Confident90.1Very high25 Ų2538.1 Ų38.116%0.16218%0.184CC..THydrogen-bonded Turntrans-56.3-23.5176.8-30.237000115.1R388 N440 G487 W526R388-P485 PolarHBondContact NH1-O 2.93Å; N440-P485 PolarHBondContact ND2-O 3.05Å; P485-G487 VanDerWaalsContact C-N 3.33Å; P485-W526 HydrophobicContact CG-CB 4.11Å
486Q85.5Confident89.8Confident147 Ų14739.2 Ų39.269%0.68718%0.184SC*.THydrogen-bonded Turntrans-82.9-7.7174.4-66.4-157.716.500113.8S484 T529S484-Q486 PolarHBondContact O-N 3.3Å; S484-Q486 VanDerWaalsContact O-N 3.08Å; Q486-T529 VanDerWaalsContact CD-O 3.25Å; Q486-T529 VanDerWaalsContact CG-O 3.29Å; Q486-T529 WeakPolarHBondContact CG-O 3.18Å; Q486-T529 PolarHBondContact NE2-O 2.95Å
487G87.7Confident89.3Confident2 Ų240 Ų402%0.02119%0.193CC..SBendtrans79.7-163.4-166.800000111.5S484 P485 F489S484-G487 PolarHBondContact O-N 2.72Å; P485-G487 VanDerWaalsContact C-N 3.33Å; G487-F489 PolarHBondContact O-N 2.87Å
488Q88.9Confident88.7Confident80 Ų8040.7 Ų40.737%0.37420%0.197SC..SBendtrans63.2-57.9-179-1731765.100115.6E438 D506 T507E438-Q488 PolarHBondContact OE1-N 2.79Å; E438-Q488 VanDerWaalsContact OE1-N 3.08Å; Q488-D506 WeakPolarHBondContact CG-OD1 3.28Å; Q488-D506 PolarHBondContact NE2-OD1 3.13Å; Q488-D506 PolarHBondContact NE2-OD2 2.76Å; Q488-D506 VanDerWaalsContact NE2-OD2 3.17Å; Q488-T507 WeakPolarHBondContact CA-OG1 3.3Å; Q488-T507 VanDerWaalsContact O-CB 3.3Å; Q488-T507 WeakPolarHBondContact O-CB 3.31Å; Q488-T507 WeakPolarHBondContact O-CG2 3.27Å; Q488-T507 PolarHBondContact O-N 3.16Å; Q488-T507 PolarHBondContact O-OG1 3.21Å
489F93.2Very high88Confident33 Ų3344.6 Ų44.615%0.14522%0.218CC..EExtended strand (participates in β ladder)trans-95.3148.4-177.3-55.1-65.8000111.9S484 G487 D506 M513 W526 F553S484-F489 WeakPolarHBondContact CB-O 3.1Å; S484-F489 PolarHBondContact N-O 3.09Å; G487-F489 PolarHBondContact O-N 2.87Å; F489-D506 HydrophobicContact CD1-CB 4.21Å; F489-D506 HydrophobicContact CE1-CB 4.18Å; F489-M513 HydrophobicContact CD1-CE 3.41Å; F489-M513 VanDerWaalsContact CD1-CE 3.41Å; F489-M513 HydrophobicContact CD1-SD 3.95Å; F489-M513 HydrophobicContact CE1-CE 3.9Å; F489-M513 HydrophobicContact CE1-SD 3.79Å; F489-M513 HydrophobicContact CG-CE 4.37Å; F489-W526 HydrophobicContact CB-CH2 3.84Å; F489-W526 HydrophobicContact CB-CZ2 4.38Å; F489-F553 HydrophobicContact CD1-CD2 4.14Å; F489-F553 HydrophobicContact CD2-CB 4.36Å; F489-F553 AromaticContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CG 4.39Å; F489-F553 AromaticContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CE2 4.06Å; F489-F553 AromaticContact CE2-CD2 3.58Å; F489-F553 HydrophobicContact CE2-CD2 3.58Å; F489-F553 AromaticContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CG 4.33Å; F489-F553 HydrophobicContact CG-CD2 4.14Å; F489-F553 AromaticContact CZ-CD2 3.56Å; F489-F553 HydrophobicContact CZ-CD2 3.56Å; F489-F553 AromaticContact CZ-CE2 3.56Å; F489-F553 HydrophobicContact CZ-CE2 3.56Å
490M92.9Very high87.5Confident1 Ų141.9 Ų41.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-148.3154.8173.366.2-174.8-60.800111.6A445 F458 I481 F482 W483 L492 V505 T507A445-M490 HydrophobicContact CB-CE 3.57Å; A445-M490 HydrophobicContact CB-SD 4.28Å; F458-M490 HydrophobicContact CD1-SD 4Å; F458-M490 HydrophobicContact CE1-CE 3.97Å; F458-M490 HydrophobicContact CE1-SD 3.4Å; F458-M490 WeakPolarHBondContact CE1-SD 2.93Å; F458-M490 HydrophobicContact CZ-SD 4.41Å; I481-M490 HydrophobicContact CB-CE 4.47Å; I481-M490 HydrophobicContact CG2-CE 3.22Å; F482-M490 CarbonylContact O-C 3.58Å; F482-M490 WeakPolarHBondContact O-CA 3.45Å; W483-M490 HydrophobicContact CD2-CB 3.91Å; W483-M490 HydrophobicContact CD2-CE 4.49Å; W483-M490 HydrophobicContact CD2-SD 4.45Å; W483-M490 HydrophobicContact CE3-CB 3.92Å; W483-M490 HydrophobicContact CE3-SD 4.5Å; W483-M490 HydrophobicContact CG-CB 4.27Å; W483-M490 HydrophobicContact CH2-SD 3.91Å; W483-M490 HydrophobicContact CZ2-CE 4.02Å; W483-M490 HydrophobicContact CZ2-SD 3.8Å; W483-M490 HydrophobicContact CZ3-CB 4.45Å; W483-M490 HydrophobicContact CZ3-SD 4.25Å; M490-L492 HydrophobicContact CE-CD2 3.6Å; M490-L492 HydrophobicContact CE-CG 4.39Å; M490-V505 HydrophobicContact CG-CB 3.79Å; M490-V505 HydrophobicContact CG-CG1 4.35Å; M490-V505 PolarHBondContact N-O 3.35Å; M490-V505 PolarHBondContact O-N 2.97Å; M490-V505 HydrophobicContact SD-CB 4.44Å; M490-V505 HydrophobicContact SD-CG1 4.48Å; M490-T507 HydrophobicContact CG-CG2 3.91Å; M490-T507 HydrophobicContact SD-CG2 3.45Å; M490-T507 WeakPolarHBondContact SD-CG2 3.22Å
491V94.3Very high87.3Confident0 Ų041.4 Ų41.40%020%0.201CC..EExtended strand (participates in β ladder)trans-111.1124.7171-172.20000108.6F482 A493 L502 A503 F504 W526 V533F482-V491 HydrophobicContact CB-CB 4.49Å; F482-V491 PolarHBondContact N-O 2.81Å; F482-V491 PolarHBondContact O-N 3.42Å; V491-A493 HydrophobicContact CG1-CB 4.36Å; V491-L502 HydrophobicContact CG1-CB 4.35Å; V491-L502 HydrophobicContact CG1-CD2 4.17Å; V491-A503 WeakPolarHBondContact CA-O 3.28Å; V491-F504 HydrophobicContact CG2-CD1 3.7Å; V491-F504 HydrophobicContact CG2-CE1 3.6Å; V491-F504 HydrophobicContact CG2-CZ 4.36Å; V491-W526 HydrophobicContact CG2-CH2 4.37Å; V491-W526 HydrophobicContact CG2-CZ2 3.48Å; V491-W526 VanDerWaalsContact CG2-CZ2 3.48Å; V491-V533 HydrophobicContact CG2-CG1 4.19Å; V491-V533 HydrophobicContact CG2-CG2 4.05Å
492L93Very high87.2Confident2 Ų240.5 Ų40.51%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-91.2110.8164.6-61.4-179.9000107L447 A456 F458 A478 I481 M490 A503 V505L447-L492 HydrophobicContact CD2-CD2 4.22Å; A456-L492 HydrophobicContact CB-CD1 3.81Å; F458-L492 HydrophobicContact CZ-CD1 4.42Å; A478-L492 HydrophobicContact CB-CB 3.64Å; I481-L492 HydrophobicContact CG1-CD2 3.93Å; I481-L492 HydrophobicContact CG2-CD2 4.47Å; M490-L492 HydrophobicContact CE-CD2 3.6Å; M490-L492 HydrophobicContact CE-CG 4.39Å; L492-A503 HydrophobicContact CB-CB 4.26Å; L492-A503 PolarHBondContact N-O 2.84Å; L492-A503 PolarHBondContact O-N 3.1Å; L492-V505 HydrophobicContact CD1-CG2 4.02Å; L492-V505 HydrophobicContact CG-CG2 4.31Å
493A91.9Very high87.1Confident0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-113.6132.7-173.100000111.2A478 N479 S480 F482 V491 L495 L502 V524A478-A493 WeakPolarHBondContact CA-O 3.35Å; N479-A493 PolarHBondContact N-O 2.88Å; N479-A493 PolarHBondContact OD1-O 3.19Å; S480-A493 PolarHBondContact N-O 2.92Å; S480-A493 PolarHBondContact O-N 3.19Å; F482-A493 HydrophobicContact CD2-CB 4.14Å; F482-A493 HydrophobicContact CE2-CB 4.18Å; V491-A493 HydrophobicContact CG1-CB 4.36Å; A493-L495 HydrophobicContact CB-CD2 4.06Å; A493-L495 HydrophobicContact CB-CG 4.01Å; A493-L495 PolarHBondContact O-N 2.78Å; A493-L502 HydrophobicContact CB-CD2 3.61Å; A493-V524 HydrophobicContact CB-CG2 4.05Å
494G90.2Very high87.1Confident2 Ų237 Ų372%0.02118%0.184CC..  trans-90.471.2167.200000110.9Q477 A501Q477-G494 WeakPolarHBondContact O-CA 3.48Å; G494-A501 PolarHBondContact N-O 2.9Å
495L86.5Confident87.1Confident17 Ų1737 Ų379%0.08918%0.184CC..THydrogen-bonded Turntrans-69.9147.4-176.9-64.8-176.9000112N479 F482 A493 S497 A521 V524N479-L495 PolarHBondContact ND2-O 2.77Å; N479-L495 PolarHBondContact OD1-N 3.47Å; F482-L495 HydrophobicContact CE2-CD1 3.6Å; F482-L495 HydrophobicContact CE2-CG 4.34Å; F482-L495 HydrophobicContact CZ-CD1 3.67Å; A493-L495 HydrophobicContact CB-CD2 4.06Å; A493-L495 HydrophobicContact CB-CG 4.01Å; A493-L495 PolarHBondContact O-N 2.78Å; L495-S497 PolarHBondContact O-N 2.9Å; L495-A521 HydrophobicContact CD2-CB 4.28Å; L495-V524 HydrophobicContact CD2-CG2 3.65Å
496R79.4Confident87.2Confident182 Ų18236.8 Ų36.869%0.68718%0.181SC*.THydrogen-bonded Turntrans57.216.1179.2-51.2179.7-176.3-174.2-1.8114.2A521R496-A521 PolarHBondContact N-O 3.4Å
497S73.4Confident87.3Confident50 Ų5029.9 Ų29.935%0.3515%0.149SC..SBendtrans-95.6147.6168.3-172.80000108.7L495 N499 G500L495-S497 PolarHBondContact O-N 2.9Å; S497-N499 VanDerWaalsContact C-N 3.28Å; S497-N499 PolarHBondContact O-N 2.81Å; S497-G500 PolarHBondContact O-N 2.9Å
498M71Confident87.1Confident120 Ų12032.9 Ų32.959%0.59117%0.169SC*.THydrogen-bonded Turntrans-56.5-44.6-178.7-160.2170-152.200111.1G500 Y519M498-G500 PolarHBondContact O-N 2.86Å; M498-Y519 VanDerWaalsContact CE-OH 3.23Å; M498-Y519 WeakPolarHBondContact CE-OH 3.47Å; M498-Y519 HydrophobicContact CG-CE2 3.68Å; M498-Y519 WeakPolarHBondContact CG-OH 3.29Å; M498-Y519 WeakPolarHBondContact O-CD2 3.42Å; M498-Y519 WeakPolarHBondContact O-CE2 3.49Å
499N72.7Confident86.9Confident84 Ų8434.6 Ų34.645%0.44918%0.181SC..THydrogen-bonded Turntrans-76.3-20.4-176.3-61.2-6000114S497 A501S497-N499 VanDerWaalsContact C-N 3.28Å; S497-N499 PolarHBondContact O-N 2.81Å; N499-A501 VanDerWaalsContact C-N 3.3Å; N499-A501 PolarHBondContact O-N 3.47Å
500G78.7Confident86.5Confident1 Ų133.1 Ų33.11%0.0118%0.175CC..  trans50.243.8175.700000115.3S497 M498 H518S497-G500 PolarHBondContact O-N 2.9Å; M498-G500 PolarHBondContact O-N 2.86Å; G500-H518 VanDerWaalsContact CA-O 3.31Å; G500-H518 WeakPolarHBondContact CA-O 3.09Å; G500-H518 PolarHBondContact O-N 3.43Å
501A88.1Confident86.4Confident22 Ų2235.8 Ų35.818%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-68131.1-177.200000111.8Q477 G494 N499Q477-A501 HydrophobicContact CB-CB 4.3Å; G494-A501 PolarHBondContact N-O 2.9Å; N499-A501 VanDerWaalsContact C-N 3.3Å; N499-A501 PolarHBondContact O-N 3.47Å
502L92.2Very high86.1Confident1 Ų138.6 Ų38.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-121.7115178-59.4172.5000108.9V491 A493 F504 I515 A516 H518 V524 T535 W551V491-L502 HydrophobicContact CG1-CB 4.35Å; V491-L502 HydrophobicContact CG1-CD2 4.17Å; A493-L502 HydrophobicContact CB-CD2 3.61Å; L502-F504 HydrophobicContact CB-CE2 4.14Å; L502-I515 WeakPolarHBondContact O-CA 3.41Å; L502-A516 WeakPolarHBondContact CA-O 3.45Å; L502-A516 PolarHBondContact N-O 2.9Å; L502-A516 PolarHBondContact O-N 3.02Å; L502-A516 VanDerWaalsContact O-O 3.13Å; L502-H518 HydrophobicContact CD1-CB 3.91Å; L502-V524 HydrophobicContact CD2-CG2 4.15Å; L502-T535 HydrophobicContact CD1-CG2 3.68Å; L502-T535 HydrophobicContact CD2-CG2 4.44Å; L502-W551 HydrophobicContact CD1-CZ2 4.2Å
503A92.8Very high86Confident8 Ų841.6 Ų41.67%0.06622%0.22CC..EExtended strand (participates in β ladder)trans-108121.8174.100000110.5V491 L492 M512V491-A503 WeakPolarHBondContact CA-O 3.28Å; L492-A503 HydrophobicContact CB-CB 4.26Å; L492-A503 PolarHBondContact N-O 2.84Å; L492-A503 PolarHBondContact O-N 3.1Å; A503-M512 HydrophobicContact CB-CE 3.91Å; A503-M512 HydrophobicContact CB-SD 4.19Å
504F94.1Very high86Confident0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-92.1122.5177.6-65.4-98000109.1V491 L502 M513 N514 A516 V533 W551 G555V491-F504 HydrophobicContact CG2-CD1 3.7Å; V491-F504 HydrophobicContact CG2-CE1 3.6Å; V491-F504 HydrophobicContact CG2-CZ 4.36Å; L502-F504 HydrophobicContact CB-CE2 4.14Å; F504-M513 HydrophobicContact CB-CE 4.18Å; F504-M513 PolarHBondContact O-N 3.3Å; F504-N514 PolarHBondContact N-O 3.35Å; F504-A516 HydrophobicContact CE2-CB 4.1Å; F504-V533 HydrophobicContact CE1-CB 4.29Å; F504-V533 HydrophobicContact CE1-CG2 4.01Å; F504-W551 HydrophobicContact CZ-CB 4.14Å; F504-W551 HydrophobicContact CZ-CD2 4.41Å; F504-W551 HydrophobicContact CZ-CG 4.18Å; F504-G555 VanDerWaalsContact CD2-CA 3.47Å; F504-G555 VanDerWaalsContact CE2-CA 3.45Å
505V92.8Very high86.1Confident0 Ų049.7 Ų49.70%026%0.262CS..EExtended strand (participates in β ladder)trans-122.8133-174.81790000109.8F458 F473 M490 L492 T511F458-V505 HydrophobicContact CE1-CG1 4.42Å; F458-V505 HydrophobicContact CZ-CG1 4.18Å; F473-V505 HydrophobicContact CE2-CG1 3.83Å; F473-V505 HydrophobicContact CE2-CG2 4.07Å; F473-V505 HydrophobicContact CZ-CG1 4.48Å; M490-V505 HydrophobicContact CG-CB 3.79Å; M490-V505 HydrophobicContact CG-CG1 4.35Å; M490-V505 PolarHBondContact N-O 3.35Å; M490-V505 PolarHBondContact O-N 2.97Å; M490-V505 HydrophobicContact SD-CB 4.44Å; M490-V505 HydrophobicContact SD-CG1 4.48Å; L492-V505 HydrophobicContact CD1-CG2 4.02Å; L492-V505 HydrophobicContact CG-CG2 4.31Å; V505-T511 WeakPolarHBondContact CA-O 3.45Å
506D93Very high86.3Confident21 Ų2149.4 Ų49.411%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-92.7123.3165.7-170.1-15.1000109.2Q488 F489 S508 C510 T511 M513Q488-D506 WeakPolarHBondContact CG-OD1 3.28Å; Q488-D506 PolarHBondContact NE2-OD1 3.13Å; Q488-D506 PolarHBondContact NE2-OD2 2.76Å; Q488-D506 VanDerWaalsContact NE2-OD2 3.17Å; F489-D506 HydrophobicContact CD1-CB 4.21Å; F489-D506 HydrophobicContact CE1-CB 4.18Å; D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 3.46Å; D506-S508 VanDerWaalsContact OD1-OG 3.13Å; D506-S508 PolarHBondContact OD2-OG 3.38Å; D506-C510 CarbonylContact O-C 3.42Å; D506-C510 WeakPolarHBondContact O-CA 3.27Å; D506-C510 PolarHBondContact O-N 2.88Å; D506-T511 PolarHBondContact N-O 2.92Å; D506-T511 PolarHBondContact O-N 2.85Å; D506-M513 HydrophobicContact CB-CE 4.35Å; D506-M513 HydrophobicContact CB-CG 4.04Å; D506-M513 HydrophobicContact CB-SD 3.95Å
507T86.6Confident86.8Confident2 Ų247.1 Ų47.11%0.01226%0.259CS..THydrogen-bonded Turntrans-91.8-2-176.5680000114.2K443 W483 Q488 M490K443-T507 WeakPolarHBondContact CE-O 3.38Å; K443-T507 WeakPolarHBondContact CE-OG1 3.24Å; W483-T507 HydrophobicContact CE3-CG2 4.38Å; W483-T507 HydrophobicContact CH2-CG2 3.43Å; W483-T507 VanDerWaalsContact CH2-CG2 3.43Å; W483-T507 HydrophobicContact CZ2-CG2 4.46Å; W483-T507 HydrophobicContact CZ3-CG2 3.36Å; Q488-T507 WeakPolarHBondContact CA-OG1 3.3Å; Q488-T507 VanDerWaalsContact O-CB 3.3Å; Q488-T507 WeakPolarHBondContact O-CB 3.31Å; Q488-T507 WeakPolarHBondContact O-CG2 3.27Å; Q488-T507 PolarHBondContact O-N 3.16Å; Q488-T507 PolarHBondContact O-OG1 3.21Å; M490-T507 HydrophobicContact CG-CG2 3.91Å; M490-T507 HydrophobicContact SD-CG2 3.45Å; M490-T507 WeakPolarHBondContact SD-CG2 3.22Å
508S84.6Confident87.5Confident64 Ų6444.8 Ų44.845%0.44824%0.242SC..THydrogen-bonded Turntrans-65.6-47.3169.267.20000110.5D506D506-S508 PolarHBondContact OD1-N 2.81Å; D506-S508 PolarHBondContact OD1-OG 3.46Å; D506-S508 VanDerWaalsContact OD1-OG 3.13Å; D506-S508 PolarHBondContact OD2-OG 3.38Å
509D83.2Confident88.3Confident117 Ų11743.5 Ų43.563%0.62623%0.232SC*.THydrogen-bonded Turntrans-111.10.2-178.7-59.9-14.6000112.2T511D509-T511 VanDerWaalsContact C-N 3.33Å; D509-T511 HydrophobicContact CB-CG2 3.87Å; D509-T511 PolarHBondContact O-N 2.84Å
510C86.1Confident88.8Confident1 Ų141.4 Ų41.41%0.00722%0.219CC..THydrogen-bonded Turntrans48.254.9-171.4-68.80000110.9F458 I470 K471 F473 D506F458-C510 HydrophobicContact CD2-CB 4.46Å; I470-C510 HydrophobicContact CG2-CB 4.39Å; K471-C510 HydrophobicContact CB-CB 3.81Å; K471-C510 HydrophobicContact CD-CB 3.7Å; K471-C510 WeakPolarHBondContact CD-O 3.37Å; K471-C510 WeakPolarHBondContact CE-O 3.22Å; K471-C510 HydrophobicContact CG-CB 4.43Å; K471-C510 PolarHBondContact NZ-O 3.47Å; F473-C510 WeakPolarHBondContact CZ-O 3.43Å; D506-C510 CarbonylContact O-C 3.42Å; D506-C510 WeakPolarHBondContact O-CA 3.27Å; D506-C510 PolarHBondContact O-N 2.88Å
511T90Very high89.3Confident58 Ų5841.4 Ų41.436%0.35622%0.219SC..EExtended strand (participates in β ladder)trans-111138.8178.753.50000109.9V505 D506 D509 M513V505-T511 WeakPolarHBondContact CA-O 3.45Å; D506-T511 PolarHBondContact N-O 2.92Å; D506-T511 PolarHBondContact O-N 2.85Å; D509-T511 VanDerWaalsContact C-N 3.33Å; D509-T511 HydrophobicContact CB-CG2 3.87Å; D509-T511 PolarHBondContact O-N 2.84Å; T511-M513 PolarHBondContact O-N 2.96Å
512M88.3Confident89.3Confident59 Ų5940.4 Ų40.429%0.29121%0.211SC..EExtended strand (participates in β ladder)trans-80.2115.9172.4-169.2174.2-73.900107.5A503 I515A503-M512 HydrophobicContact CB-CE 3.91Å; A503-M512 HydrophobicContact CB-SD 4.19Å; M512-I515 HydrophobicContact CG-CG1 4.21Å; M512-I515 HydrophobicContact SD-CD1 3.52Å; M512-I515 VanDerWaalsContact SD-CD1 3.52Å; M512-I515 HydrophobicContact SD-CG1 3.46Å; M512-I515 WeakPolarHBondContact SD-CG1 3.41Å
513M90.3Very high89.3Confident65 Ų6543.8 Ų43.832%0.3223%0.229SC..EExtended strand (participates in β ladder)trans-81-47.9-176.7-65.8-174.5-70.400111.1F489 F504 D506 T511 F553F489-M513 HydrophobicContact CD1-CE 3.41Å; F489-M513 VanDerWaalsContact CD1-CE 3.41Å; F489-M513 HydrophobicContact CD1-SD 3.95Å; F489-M513 HydrophobicContact CE1-CE 3.9Å; F489-M513 HydrophobicContact CE1-SD 3.79Å; F489-M513 HydrophobicContact CG-CE 4.37Å; F504-M513 HydrophobicContact CB-CE 4.18Å; F504-M513 PolarHBondContact O-N 3.3Å; D506-M513 HydrophobicContact CB-CE 4.35Å; D506-M513 HydrophobicContact CB-CG 4.04Å; D506-M513 HydrophobicContact CB-SD 3.95Å; T511-M513 PolarHBondContact O-N 2.96Å; M513-F553 WeakPolarHBondContact CE-O 3.46Å
514N92.6Very high89.3Confident67 Ų6744 Ų4436%0.35823%0.229SC..EExtended strand (participates in β ladder)trans-153153.5-177.9-157.79000111F504 Q554 G555F504-N514 PolarHBondContact N-O 3.35Å; N514-Q554 WeakPolarHBondContact CB-O 3.1Å; N514-G555 PolarHBondContact ND2-O 3.5Å
515I91.4Very high89.2Confident104 Ų10446.9 Ų46.953%0.53324%0.243SC..EExtended strand (participates in β ladder)trans-119.2127.3170.5-56.7173.7000106.2L502 M512L502-I515 WeakPolarHBondContact O-CA 3.41Å; M512-I515 HydrophobicContact CG-CG1 4.21Å; M512-I515 HydrophobicContact SD-CD1 3.52Å; M512-I515 VanDerWaalsContact SD-CD1 3.52Å; M512-I515 HydrophobicContact SD-CG1 3.46Å; M512-I515 WeakPolarHBondContact SD-CG1 3.41Å
516A91.1Very high89.3Confident11 Ų1147.8 Ų47.89%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-126.7160175.200000109.6L502 F504 W551L502-A516 WeakPolarHBondContact CA-O 3.45Å; L502-A516 PolarHBondContact N-O 2.9Å; L502-A516 PolarHBondContact O-N 3.02Å; L502-A516 VanDerWaalsContact O-O 3.13Å; F504-A516 HydrophobicContact CE2-CB 4.1Å; A516-W551 HydrophobicContact CB-CE3 4.15Å; A516-W551 HydrophobicContact CB-CH2 3.55Å; A516-W551 HydrophobicContact CB-CZ2 4.33Å; A516-W551 HydrophobicContact CB-CZ3 3.43Å; A516-W551 VanDerWaalsContact CB-CZ3 3.43Å
517E89.6Confident89.2Confident135 Ų13546.8 Ų46.863%0.63124%0.241SC*.EExtended strand (participates in β ladder)trans-121.8132.2177.4-65.7-178.8163.900108.5W549E517-W549 VanDerWaalsContact O-CZ3 3.25Å; E517-W549 WeakPolarHBondContact O-CZ3 3.16Å
518H88.2Confident89.3Confident0 Ų048.5 Ų48.50%025%0.253CS..  trans-132.497.1170.4-176.7-177.4000108.5G500 L502 M520 A521 T535 V537 W549 W551G500-H518 VanDerWaalsContact CA-O 3.31Å; G500-H518 WeakPolarHBondContact CA-O 3.09Å; G500-H518 PolarHBondContact O-N 3.43Å; L502-H518 HydrophobicContact CD1-CB 3.91Å; H518-M520 PolarHBondContact O-N 3.22Å; H518-A521 HydrophobicContact CB-CB 4.09Å; H518-A521 VanDerWaalsContact O-CB 3.3Å; H518-A521 WeakPolarHBondContact O-CB 3.29Å; H518-A521 PolarHBondContact O-N 2.77Å; H518-A521 VanDerWaalsContact O-N 3.09Å; H518-T535 PolarHBondContact CE1-O 3.44Å; H518-T535 PolarHBondContact CE1-OG1 3.11Å; H518-T535 WeakPolarHBondContact ND1-CB 3.5Å; H518-T535 PolarHBondContact ND1-OG1 3.27Å; H518-V537 VanDerWaalsContact NE2-CG2 3.31Å; H518-V537 WeakPolarHBondContact NE2-CG2 3.27Å; H518-W549 HydrophobicContact CB-CE3 4.33Å; H518-W549 HydrophobicContact CB-CZ3 4.29Å; H518-W549 AromaticContact CD2-CD2 3.73Å; H518-W549 AromaticContact CD2-CE2 3.32Å; H518-W549 AromaticContact CD2-CH2 3.93Å; H518-W549 AromaticContact CD2-CZ2 3.43Å; H518-W549 VanDerWaalsContact CD2-CZ2 3.43Å; H518-W549 WeakPolarHBondContact CD2-CZ2 3.48Å; H518-W549 AromaticContact CD2-NE1 3.63Å; H518-W549 AromaticContact CE1-CD1 3.45Å; H518-W549 VanDerWaalsContact CE1-CD1 3.45Å; H518-W549 AromaticContact CE1-CD2 3.95Å; H518-W549 AromaticContact CE1-CE2 3.96Å; H518-W549 AromaticContact CE1-CG 3.6Å; H518-W549 AromaticContact CE1-NE1 3.68Å; H518-W549 AromaticContact CG-CD2 3.91Å; H518-W549 AromaticContact CG-CE2 3.99Å; H518-W549 AromaticContact ND1-CG 3.93Å; H518-W549 AromaticContact NE2-CD1 3.36Å; H518-W549 AromaticContact NE2-CD2 3.75Å; H518-W549 AromaticContact NE2-CE2 3.31Å; H518-W549 VanDerWaalsContact NE2-CE2 3.31Å; H518-W549 AromaticContact NE2-CG 3.75Å; H518-W549 AromaticContact NE2-CZ2 3.84Å; H518-W549 AromaticContact NE2-NE1 3.07Å; H518-W549 PolarHBondContact NE2-NE1 3.3Å; H518-W551 HydrophobicContact CB-CZ2 4.29Å
519Y87.3Confident89.3Confident94 Ų9446.5 Ų46.537%0.36924%0.237SC..THydrogen-bonded Turntrans-51.2130.6-177.5-168.3-99.6000111.8M498 A521M498-Y519 VanDerWaalsContact CE-OH 3.23Å; M498-Y519 WeakPolarHBondContact CE-OH 3.47Å; M498-Y519 HydrophobicContact CG-CE2 3.68Å; M498-Y519 WeakPolarHBondContact CG-OH 3.29Å; M498-Y519 WeakPolarHBondContact O-CD2 3.42Å; M498-Y519 WeakPolarHBondContact O-CE2 3.49Å; Y519-A521 PolarHBondContact O-N 3.33Å; Y519-A521 VanDerWaalsContact O-N 3.14Å
520M84.7Confident89.5Confident39 Ų3941.2 Ų41.219%0.19221%0.211CC..THydrogen-bonded Turntrans55.424.4-179.1-70.3-175.3152.800116H518 S522 V537 H542 V544H518-M520 PolarHBondContact O-N 3.22Å; M520-S522 PolarHBondContact O-N 3.01Å; M520-S522 VanDerWaalsContact O-N 3.07Å; M520-V537 HydrophobicContact CB-CG1 4.35Å; M520-H542 HydrophobicContact SD-CB 4.26Å; M520-V544 HydrophobicContact SD-CB 4.31Å
521A88.1Confident89.6Confident1 Ų147 Ų471%0.00823%0.233CC..  trans-51118.8174.200000111.5L495 R496 H518 Y519L495-A521 HydrophobicContact CD2-CB 4.28Å; R496-A521 PolarHBondContact N-O 3.4Å; H518-A521 HydrophobicContact CB-CB 4.09Å; H518-A521 VanDerWaalsContact O-CB 3.3Å; H518-A521 WeakPolarHBondContact O-CB 3.29Å; H518-A521 PolarHBondContact O-N 2.77Å; H518-A521 VanDerWaalsContact O-N 3.09Å; Y519-A521 PolarHBondContact O-N 3.33Å; Y519-A521 VanDerWaalsContact O-N 3.14Å
522S89.1Confident89.6Confident2 Ų246 Ų461%0.01422%0.223CC..  trans-92.2-41.9179.9630000111.4M520 S536 S538M520-S522 PolarHBondContact O-N 3.01Å; M520-S522 VanDerWaalsContact O-N 3.07Å; S522-S536 PolarHBondContact N-O 2.87Å; S522-S536 PolarHBondContact OG-O 3.37Å; S522-S538 PolarHBondContact OG-N 3.22Å
523D90.8Very high89.9Confident72 Ų7243.2 Ų43.239%0.38521%0.209SC..EExtended strand (participates in β ladder)trans-135.6144.1-170.5-54.8-72.4000111.2T535 S536D523-T535 CarbonylContact O-C 3.51Å; D523-T535 VanDerWaalsContact O-CA 3.31Å; D523-T535 WeakPolarHBondContact O-CA 3.46Å; D523-S536 PolarHBondContact N-O 2.96Å; D523-S536 VanDerWaalsContact N-O 3.17Å; D523-S536 PolarHBondContact O-N 3.05Å
524V93.6Very high90.1Very high11 Ų1140.3 Ų40.37%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-129.4131.1174.8171.10000107.6F482 A493 L495 L502 V533 V534 T535F482-V524 HydrophobicContact CB-CG1 4.1Å; F482-V524 HydrophobicContact CD1-CB 4.43Å; F482-V524 HydrophobicContact CD1-CG1 4.37Å; F482-V524 HydrophobicContact CD2-CB 3.88Å; F482-V524 HydrophobicContact CD2-CG1 3.9Å; F482-V524 HydrophobicContact CE1-CB 4.44Å; F482-V524 WeakPolarHBondContact CE1-O 3.45Å; F482-V524 HydrophobicContact CE2-CB 3.89Å; F482-V524 HydrophobicContact CE2-CG1 4.42Å; F482-V524 HydrophobicContact CE2-CG2 4.42Å; F482-V524 HydrophobicContact CG-CB 4.16Å; F482-V524 HydrophobicContact CG-CG1 3.86Å; F482-V524 HydrophobicContact CZ-CB 4.19Å; A493-V524 HydrophobicContact CB-CG2 4.05Å; L495-V524 HydrophobicContact CD2-CG2 3.65Å; L502-V524 HydrophobicContact CD2-CG2 4.15Å; V524-V533 HydrophobicContact CG1-CG1 3.85Å; V524-V534 WeakPolarHBondContact CA-O 3.48Å; V524-T535 HydrophobicContact CB-CG2 4.4Å; V524-T535 HydrophobicContact CG1-CG2 4.36Å; V524-T535 HydrophobicContact CG2-CG2 3.65Å
525E93Very high90.1Very high62 Ų6237.1 Ų37.129%0.2918%0.177SC..EExtended strand (participates in β ladder)trans-136.1141174.5-161.3-178.8-169.700110.3V534 L570 W571E525-V534 HydrophobicContact CB-CG1 3.86Å; E525-V534 PolarHBondContact N-O 3.23Å; E525-V534 WeakPolarHBondContact O-CG1 3.2Å; E525-V534 PolarHBondContact O-N 3.04Å; E525-L570 WeakPolarHBondContact OE2-CA 3.46Å; E525-W571 PolarHBondContact OE2-N 2.92Å; E525-W571 VanDerWaalsContact OE2-N 3.08Å
526W93.7Very high90.2Very high18 Ų1832.5 Ų32.57%0.06815%0.154CC..EExtended strand (participates in β ladder)trans-90.2140.2170.9-78.288.6000109.7F482 W483 P485 F489 V491 G530 V533 F553F482-W526 PolarHBondContact O-NE1 3.03Å; W483-W526 VanDerWaalsContact O-CD1 3.29Å; P485-W526 HydrophobicContact CG-CB 4.11Å; F489-W526 HydrophobicContact CB-CH2 3.84Å; F489-W526 HydrophobicContact CB-CZ2 4.38Å; V491-W526 HydrophobicContact CG2-CH2 4.37Å; V491-W526 HydrophobicContact CG2-CZ2 3.48Å; V491-W526 VanDerWaalsContact CG2-CZ2 3.48Å; W526-G530 WeakPolarHBondContact CZ3-O 3.31Å; W526-V533 HydrophobicContact CD2-CG2 3.5Å; W526-V533 HydrophobicContact CE3-CG2 3.36Å; W526-V533 HydrophobicContact CG-CG2 4.36Å; W526-V533 HydrophobicContact CH2-CG2 3.37Å; W526-V533 HydrophobicContact CZ2-CG2 3.53Å; W526-V533 HydrophobicContact CZ3-CG2 3.28Å; W526-F553 HydrophobicContact CH2-CB 4.13Å; W526-F553 HydrophobicContact CZ3-CB 3.85Å
527D91.6Very high90.2Very high0 Ų032 Ų320%015%0.15CC..  trans-56.4137.7164.116420.9000109.3D171 T529 G530 Y532 W571D171-D527 VanDerWaalsContact CG-OD1 3.3Å; D527-T529 PolarHBondContact O-N 2.82Å; D527-T529 PolarHBondContact OD1-N 2.93Å; D527-T529 VanDerWaalsContact OD1-N 3.09Å; D527-T529 PolarHBondContact OD2-OG1 2.93Å; D527-G530 WeakPolarHBondContact O-CA 3.34Å; D527-G530 PolarHBondContact O-N 3.19Å; D527-Y532 WeakPolarHBondContact CB-O 3.44Å; D527-Y532 PolarHBondContact N-O 2.96Å; D527-W571 HydrophobicContact CB-CD2 4.12Å; D527-W571 HydrophobicContact CB-CE3 4.41Å; D527-W571 HydrophobicContact CB-CZ2 4.26Å
528P87.6Confident90.2Very high39 Ų3925.8 Ų25.825%0.25312%0.121SC..THydrogen-bonded Turntrans-45.9-29.5172.6-32.133.7000115.6G530 W571 R574P528-G530 VanDerWaalsContact C-N 3.33Å; P528-W571 HydrophobicContact CG-CB 4.33Å; P528-R574 HydrophobicContact CB-CB 4.05Å; P528-R574 HydrophobicContact CB-CG 3.81Å; P528-R574 HydrophobicContact CG-CG 4.35Å
529T84.9Confident90.3Very high21 Ų2129.7 Ų29.713%0.12914%0.136CC..THydrogen-bonded Turntrans-79.5-14.1175.480.70000113.6D171 Q486 D527 R531D171-T529 WeakPolarHBondContact OD2-CG2 3.18Å; Q486-T529 VanDerWaalsContact CD-O 3.25Å; Q486-T529 VanDerWaalsContact CG-O 3.29Å; Q486-T529 WeakPolarHBondContact CG-O 3.18Å; Q486-T529 PolarHBondContact NE2-O 2.95Å; D527-T529 PolarHBondContact O-N 2.82Å; D527-T529 PolarHBondContact OD1-N 2.93Å; D527-T529 VanDerWaalsContact OD1-N 3.09Å; D527-T529 PolarHBondContact OD2-OG1 2.93Å; T529-R531 VanDerWaalsContact C-N 3.27Å; T529-R531 PolarHBondContact O-N 2.96Å; T529-R531 WeakPolarHBondContact OG1-CB 3.09Å; T529-R531 PolarHBondContact OG1-N 3.45Å
530G87.7Confident90.3Very high6 Ų631.3 Ų31.36%0.06214%0.142CC..SBendtrans74.811-178.800000114.8S484 W526 D527 P528S484-G530 WeakPolarHBondContact OG-CA 3.44Å; S484-G530 PolarHBondContact OG-O 2.86Å; W526-G530 WeakPolarHBondContact CZ3-O 3.31Å; D527-G530 WeakPolarHBondContact O-CA 3.34Å; D527-G530 PolarHBondContact O-N 3.19Å; P528-G530 VanDerWaalsContact C-N 3.33Å
531R87.7Confident90.3Very high124 Ų12432.1 Ų32.147%0.46815%0.151SC..SBendtrans-86.9-33.8179.3-170.4-177.3-56.8168.25.7113T529 F553T529-R531 VanDerWaalsContact C-N 3.27Å; T529-R531 PolarHBondContact O-N 2.96Å; T529-R531 WeakPolarHBondContact OG1-CB 3.09Å; T529-R531 PolarHBondContact OG1-N 3.45Å; R531-F553 HydrophobicContact CG-CD1 4.37Å; R531-F553 WeakPolarHBondContact O-CB 3.33Å; R531-F553 WeakPolarHBondContact O-CD1 3.49Å; R531-F553 PolarHBondContact O-N 3.47Å
532Y91.5Very high90.1Very high37 Ų3734.3 Ų34.315%0.14516%0.161CC..EExtended strand (participates in β ladder)trans-120.7150.7-176.7-55.7-77.4000111.2N188 D527 W551 L558N188-Y532 WeakPolarHBondContact ND2-CD2 3.49Å; N188-Y532 WeakPolarHBondContact ND2-CE2 3.49Å; D527-Y532 WeakPolarHBondContact CB-O 3.44Å; D527-Y532 PolarHBondContact N-O 2.96Å; Y532-W551 CarbonylContact C-O 3.58Å; Y532-W551 VanDerWaalsContact CA-O 3.29Å; Y532-W551 WeakPolarHBondContact CA-O 3.28Å; Y532-L558 HydrophobicContact CD1-CD1 3.5Å; Y532-L558 HydrophobicContact CE1-CD1 3.4Å
533V93.9Very high89.8Confident0 Ų042.1 Ų42.10%020%0.195CC..EExtended strand (participates in β ladder)trans-120131171.1-177.10000107.1V491 F504 V524 W526 T535 W551V491-V533 HydrophobicContact CG2-CG1 4.19Å; V491-V533 HydrophobicContact CG2-CG2 4.05Å; F504-V533 HydrophobicContact CE1-CB 4.29Å; F504-V533 HydrophobicContact CE1-CG2 4.01Å; V524-V533 HydrophobicContact CG1-CG1 3.85Å; W526-V533 HydrophobicContact CD2-CG2 3.5Å; W526-V533 HydrophobicContact CE3-CG2 3.36Å; W526-V533 HydrophobicContact CG-CG2 4.36Å; W526-V533 HydrophobicContact CH2-CG2 3.37Å; W526-V533 HydrophobicContact CZ2-CG2 3.53Å; W526-V533 HydrophobicContact CZ3-CG2 3.28Å; V533-T535 HydrophobicContact CG1-CG2 4.23Å; V533-W551 HydrophobicContact CB-CB 4.3Å; V533-W551 PolarHBondContact N-O 3.44Å; V533-W551 PolarHBondContact O-N 2.64Å
534V93.9Very high89.4Confident3 Ų343.1 Ų43.12%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-106.9137.8169.371.60000108.6V524 E525 Y548 W549 L550 L569 W571V524-V534 WeakPolarHBondContact CA-O 3.48Å; E525-V534 HydrophobicContact CB-CG1 3.86Å; E525-V534 PolarHBondContact N-O 3.23Å; E525-V534 WeakPolarHBondContact O-CG1 3.2Å; E525-V534 PolarHBondContact O-N 3.04Å; V534-Y548 HydrophobicContact CG2-CD2 4.21Å; V534-W549 WeakPolarHBondContact CA-O 3.43Å; V534-L550 HydrophobicContact CB-CD1 4.34Å; V534-L569 HydrophobicContact CB-CD2 4.23Å; V534-L569 HydrophobicContact CG1-CD2 3.52Å; V534-L569 HydrophobicContact CG2-CD1 3.79Å; V534-L569 HydrophobicContact CG2-CD2 3.91Å; V534-W571 HydrophobicContact CB-CZ2 4.26Å
535T93.5Very high88.9Confident0 Ų045.5 Ų45.50%022%0.216CC..EExtended strand (participates in β ladder)trans-125.5136.8171.959.60000107.7L502 H518 D523 V524 V533 Y548 W549 W551L502-T535 HydrophobicContact CD1-CG2 3.68Å; L502-T535 HydrophobicContact CD2-CG2 4.44Å; H518-T535 PolarHBondContact CE1-O 3.44Å; H518-T535 PolarHBondContact CE1-OG1 3.11Å; H518-T535 WeakPolarHBondContact ND1-CB 3.5Å; H518-T535 PolarHBondContact ND1-OG1 3.27Å; D523-T535 CarbonylContact O-C 3.51Å; D523-T535 VanDerWaalsContact O-CA 3.31Å; D523-T535 WeakPolarHBondContact O-CA 3.46Å; V524-T535 HydrophobicContact CB-CG2 4.4Å; V524-T535 HydrophobicContact CG1-CG2 4.36Å; V524-T535 HydrophobicContact CG2-CG2 3.65Å; V533-T535 HydrophobicContact CG1-CG2 4.23Å; T535-Y548 CarbonylContact O-C 3.58Å; T535-Y548 WeakPolarHBondContact O-CA 3.39Å; T535-W549 PolarHBondContact N-O 2.75Å; T535-W549 PolarHBondContact O-N 2.84Å; T535-W549 PolarHBondContact OG1-O 3.37Å; T535-W551 PolarHBondContact OG1-NE1 3.31Å
536S92.3Very high88.7Confident7 Ų743.5 Ų43.55%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-137.3154.8-173.270.10000112.7S522 D523 A547S522-S536 PolarHBondContact N-O 2.87Å; S522-S536 PolarHBondContact OG-O 3.37Å; D523-S536 PolarHBondContact N-O 2.96Å; D523-S536 VanDerWaalsContact N-O 3.17Å; D523-S536 PolarHBondContact O-N 3.05Å; S536-A547 WeakPolarHBondContact CA-O 3.47Å
537V92.1Very high88.5Confident1 Ų142.7 Ų42.71%0.00620%0.204CC..  trans-115.392.9176.2-174.90000108.2H518 M520 H542 N546 A547 F566H518-V537 VanDerWaalsContact NE2-CG2 3.31Å; H518-V537 WeakPolarHBondContact NE2-CG2 3.27Å; M520-V537 HydrophobicContact CB-CG1 4.35Å; V537-H542 HydrophobicContact CG1-CB 4.06Å; V537-N546 PolarHBondContact O-ND2 3.48Å; V537-A547 PolarHBondContact N-O 3.01Å; V537-F566 WeakPolarHBondContact O-CD1 3.41Å
538S90.1Very high88.6Confident4 Ų442.7 Ų42.73%0.02820%0.204CC..  trans-67.9131.7178.91790000111.6S522 W540 S541 H542 C567S522-S538 PolarHBondContact OG-N 3.22Å; S538-W540 PolarHBondContact O-N 3.25Å; S538-W540 PolarHBondContact OG-N 3.39Å; S538-S541 PolarHBondContact O-N 3.35Å; S538-H542 PolarHBondContact O-N 2.59Å; S538-H542 VanDerWaalsContact O-O 3.12Å; S538-C567 WeakPolarHBondContact CB-O 3.45Å; S538-C567 PolarHBondContact OG-O 2.85Å
539W89.7Confident88.8Confident82 Ų8242.3 Ų42.331%0.31120%0.197SC..THydrogen-bonded Turntrans-60.7-27.4172.3-178.381.8000112.8S541 H542 N546 R565 F566W539-S541 PolarHBondContact O-N 2.98Å; W539-H542 WeakPolarHBondContact CA-O 3.45Å; W539-N546 WeakPolarHBondContact CA-ND2 3.19Å; W539-N546 PolarHBondContact N-ND2 3.2Å; W539-R565 HydrophobicContact CD2-CB 4.4Å; W539-R565 HydrophobicContact CG-CB 4.21Å; W539-F566 WeakPolarHBondContact CA-O 3.41Å; W539-F566 WeakPolarHBondContact CB-O 3.31Å; W539-F566 PolarHBondContact N-O 2.8Å
540W86.9Confident89.2Confident129 Ų12941.4 Ų41.449%0.48919%0.192SC..THydrogen-bonded Turntrans-67.4-24.7173.1-61.9-36.1000112.7T205 S538 C567 Q568T205-W540 WeakPolarHBondContact O-CZ2 3.34Å; S538-W540 PolarHBondContact O-N 3.25Å; S538-W540 PolarHBondContact OG-N 3.39Å; W540-C567 HydrophobicContact CD2-CB 4.15Å; W540-C567 HydrophobicContact CE3-CB 4.4Å; W540-C567 HydrophobicContact CH2-CB 3.78Å; W540-C567 HydrophobicContact CZ2-CB 3.48Å; W540-C567 VanDerWaalsContact CZ2-CB 3.48Å; W540-C567 HydrophobicContact CZ3-CB 4.23Å; W540-Q568 HydrophobicContact CH2-CB 4.15Å; W540-Q568 HydrophobicContact CZ3-CB 3.88Å
541S85.4Confident89.5Confident55 Ų5541.6 Ų41.639%0.38519%0.191SC..THydrogen-bonded Turntrans-97.6-54.5178-61.80000111.7S538 W539S538-S541 PolarHBondContact O-N 3.35Å; W539-S541 PolarHBondContact O-N 2.98Å
542H83.2Confident89.6Confident47 Ų4736.8 Ų36.822%0.21818%0.175CC..  trans-132.5133.3-175.4-62.9-68.2000110.4M520 V537 S538 W539 N546M520-H542 HydrophobicContact SD-CB 4.26Å; V537-H542 HydrophobicContact CG1-CB 4.06Å; S538-H542 PolarHBondContact O-N 2.59Å; S538-H542 VanDerWaalsContact O-O 3.12Å; W539-H542 WeakPolarHBondContact CA-O 3.45Å; H542-N546 PolarHBondContact O-ND2 2.7Å
543K82.9Confident89.6Confident167 Ų16737.5 Ų37.573%0.72618%0.179SC*.SBendtrans-89.94.9-176.7-63.1-176.8179.21790114.4
544V82.4Confident89.3Confident92 Ų9242.6 Ų42.656%0.55820%0.203SC*.SBendtrans-116.2140.2-173.7-177.10000109.2M520 N546M520-V544 HydrophobicContact SD-CB 4.31Å; V544-N546 PolarHBondContact O-N 3.44Å
545D82.3Confident89.1Confident61 Ų6142.6 Ų42.633%0.32620%0.203SC..SBendtrans44.455.1-179.5-158.522.6000114A547 K560D545-A547 PolarHBondContact O-N 3.43Å; D545-K560 IonicContact OD1-NZ 3.03Å; D545-K560 IonicContact OD2-NZ 3.9Å; D545-K560 PolarHBondContact OD2-NZ 2.95Å
546N89.1Confident89Confident21 Ų2151 Ų5111%0.11224%0.235CC..  trans-68.1105.7178.7-66.4125.7000111.3V537 W539 H542 V544 K563 F566V537-N546 PolarHBondContact O-ND2 3.48Å; W539-N546 WeakPolarHBondContact CA-ND2 3.19Å; W539-N546 PolarHBondContact N-ND2 3.2Å; H542-N546 PolarHBondContact O-ND2 2.7Å; V544-N546 PolarHBondContact O-N 3.44Å; N546-K563 PolarHBondContact O-N 2.79Å; N546-K563 VanDerWaalsContact O-N 3.11Å; N546-K563 VanDerWaalsContact O-O 3.11Å; N546-F566 HydrophobicContact CB-CB 4.13Å
547A90.7Very high88.9Confident0 Ų054.2 Ų54.20%025%0.251CS..EExtended strand (participates in β ladder)trans-150.8160.7-177.500000110.9S536 V537 D545 N561 N562S536-A547 WeakPolarHBondContact CA-O 3.47Å; V537-A547 PolarHBondContact N-O 3.01Å; D545-A547 PolarHBondContact O-N 3.43Å; A547-N561 WeakPolarHBondContact CA-O 3.25Å; A547-N562 VanDerWaalsContact CB-OD1 3.22Å; A547-N562 WeakPolarHBondContact CB-OD1 3.42Å
548Y92.8Very high88.7Confident1 Ų156.8 Ų56.80%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-118.1137.6160.566.2-89.5000109.4Y173 V175 V534 T535 N561 K563 F566 L569Y173-Y548 HydrophobicContact CE2-CE2 4.05Å; Y173-Y548 PolarHBondContact OH-OH 2.88Å; V175-Y548 HydrophobicContact CG1-CE1 4.36Å; V175-Y548 HydrophobicContact CG2-CE1 4.27Å; V534-Y548 HydrophobicContact CG2-CD2 4.21Å; T535-Y548 CarbonylContact O-C 3.58Å; T535-Y548 WeakPolarHBondContact O-CA 3.39Å; Y548-N561 HydrophobicContact CD1-CB 4.17Å; Y548-N561 HydrophobicContact CD2-CB 4.2Å; Y548-N561 HydrophobicContact CE1-CB 3.63Å; Y548-N561 HydrophobicContact CE2-CB 3.67Å; Y548-N561 WeakPolarHBondContact CE2-OD1 3.25Å; Y548-N561 HydrophobicContact CG-CB 4.43Å; Y548-N561 PolarHBondContact N-O 2.81Å; Y548-N561 VanDerWaalsContact N-O 3.09Å; Y548-N561 PolarHBondContact O-N 2.88Å; Y548-K563 HydrophobicContact CD1-CG 4.48Å; Y548-K563 HydrophobicContact CE1-CG 3.94Å; Y548-F566 HydrophobicContact CD1-CD2 4.04Å; Y548-F566 AromaticContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CZ 4.46Å; Y548-F566 HydrophobicContact CG-CE2 4.37Å; Y548-L569 HydrophobicContact CD1-CD1 4.01Å; Y548-L569 HydrophobicContact CD2-CD1 3.55Å; Y548-L569 HydrophobicContact CE1-CD1 4.45Å; Y548-L569 HydrophobicContact CE2-CD1 4.05Å; Y548-L569 HydrophobicContact CG-CD1 3.52Å
549W92.8Very high88.5Confident30 Ų3057.2 Ų57.211%0.11427%0.266CS..EExtended strand (participates in β ladder)trans-115.6128.8-177-61.728.6000107.1E517 H518 V534 T535 W551 L557 Q559 K560E517-W549 VanDerWaalsContact O-CZ3 3.25Å; E517-W549 WeakPolarHBondContact O-CZ3 3.16Å; H518-W549 HydrophobicContact CB-CE3 4.33Å; H518-W549 HydrophobicContact CB-CZ3 4.29Å; H518-W549 AromaticContact CD2-CD2 3.73Å; H518-W549 AromaticContact CD2-CE2 3.32Å; H518-W549 AromaticContact CD2-CH2 3.93Å; H518-W549 AromaticContact CD2-CZ2 3.43Å; H518-W549 VanDerWaalsContact CD2-CZ2 3.43Å; H518-W549 WeakPolarHBondContact CD2-CZ2 3.48Å; H518-W549 AromaticContact CD2-NE1 3.63Å; H518-W549 AromaticContact CE1-CD1 3.45Å; H518-W549 VanDerWaalsContact CE1-CD1 3.45Å; H518-W549 AromaticContact CE1-CD2 3.95Å; H518-W549 AromaticContact CE1-CE2 3.96Å; H518-W549 AromaticContact CE1-CG 3.6Å; H518-W549 AromaticContact CE1-NE1 3.68Å; H518-W549 AromaticContact CG-CD2 3.91Å; H518-W549 AromaticContact CG-CE2 3.99Å; H518-W549 AromaticContact ND1-CG 3.93Å; H518-W549 AromaticContact NE2-CD1 3.36Å; H518-W549 AromaticContact NE2-CD2 3.75Å; H518-W549 AromaticContact NE2-CE2 3.31Å; H518-W549 VanDerWaalsContact NE2-CE2 3.31Å; H518-W549 AromaticContact NE2-CG 3.75Å; H518-W549 AromaticContact NE2-CZ2 3.84Å; H518-W549 AromaticContact NE2-NE1 3.07Å; H518-W549 PolarHBondContact NE2-NE1 3.3Å; V534-W549 WeakPolarHBondContact CA-O 3.43Å; T535-W549 PolarHBondContact N-O 2.75Å; T535-W549 PolarHBondContact O-N 2.84Å; T535-W549 PolarHBondContact OG1-O 3.37Å; W549-W551 HydrophobicContact CB-CZ2 4.24Å; W549-W551 HydrophobicContact CD2-CZ2 4.24Å; W549-W551 AromaticContact CE3-CH2 3.66Å; W549-W551 HydrophobicContact CE3-CH2 3.66Å; W549-W551 AromaticContact CE3-CZ2 3.29Å; W549-W551 HydrophobicContact CE3-CZ2 3.29Å; W549-W551 AromaticContact CZ3-CH2 3.93Å; W549-W551 HydrophobicContact CZ3-CH2 3.93Å; W549-W551 AromaticContact CZ3-CZ2 3.91Å; W549-W551 HydrophobicContact CZ3-CZ2 3.91Å; W549-L557 HydrophobicContact CB-CD1 4.01Å; W549-L557 HydrophobicContact CD2-CD1 4.49Å; W549-L557 HydrophobicContact CE3-CD1 3.98Å; W549-L557 HydrophobicContact CE3-CD2 4.4Å; W549-Q559 WeakPolarHBondContact CA-O 3.42Å; W549-K560 HydrophobicContact CD2-CD 4.25Å; W549-K560 HydrophobicContact CD2-CG 4.36Å; W549-K560 HydrophobicContact CG-CB 4.48Å; W549-K560 HydrophobicContact CG-CG 4.29Å; W549-K560 HydrophobicContact CZ2-CD 3.9Å
550L92.6Very high88.5Confident2 Ų257.6 Ų57.61%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-102.7124.4179.7-172.771.3000109.3N188 V534 L558 Q559 W571N188-L550 WeakPolarHBondContact OD1-CD2 3.25Å; V534-L550 HydrophobicContact CB-CD1 4.34Å; L550-L558 HydrophobicContact CD2-CD1 4.2Å; L550-L558 HydrophobicContact CG-CD1 4.35Å; L550-L558 WeakPolarHBondContact O-CB 3.44Å; L550-L558 PolarHBondContact O-N 2.97Å; L550-Q559 HydrophobicContact CB-CB 4.32Å; L550-Q559 PolarHBondContact N-O 2.79Å; L550-Q559 PolarHBondContact O-N 3.09Å; L550-W571 HydrophobicContact CD1-CH2 4.11Å; L550-W571 HydrophobicContact CD1-CZ2 3.72Å
551W92.8Very high88.6Confident11 Ų1152.7 Ų52.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-116.4152.1-179.7-47.783.9000110L502 F504 A516 H518 Y532 V533 T535 W549 R556 L557L502-W551 HydrophobicContact CD1-CZ2 4.2Å; F504-W551 HydrophobicContact CZ-CB 4.14Å; F504-W551 HydrophobicContact CZ-CD2 4.41Å; F504-W551 HydrophobicContact CZ-CG 4.18Å; A516-W551 HydrophobicContact CB-CE3 4.15Å; A516-W551 HydrophobicContact CB-CH2 3.55Å; A516-W551 HydrophobicContact CB-CZ2 4.33Å; A516-W551 HydrophobicContact CB-CZ3 3.43Å; A516-W551 VanDerWaalsContact CB-CZ3 3.43Å; H518-W551 HydrophobicContact CB-CZ2 4.29Å; Y532-W551 CarbonylContact C-O 3.58Å; Y532-W551 VanDerWaalsContact CA-O 3.29Å; Y532-W551 WeakPolarHBondContact CA-O 3.28Å; V533-W551 HydrophobicContact CB-CB 4.3Å; V533-W551 PolarHBondContact N-O 3.44Å; V533-W551 PolarHBondContact O-N 2.64Å; T535-W551 PolarHBondContact OG1-NE1 3.31Å; W549-W551 HydrophobicContact CB-CZ2 4.24Å; W549-W551 HydrophobicContact CD2-CZ2 4.24Å; W549-W551 AromaticContact CE3-CH2 3.66Å; W549-W551 HydrophobicContact CE3-CH2 3.66Å; W549-W551 AromaticContact CE3-CZ2 3.29Å; W549-W551 HydrophobicContact CE3-CZ2 3.29Å; W549-W551 AromaticContact CZ3-CH2 3.93Å; W549-W551 HydrophobicContact CZ3-CH2 3.93Å; W549-W551 AromaticContact CZ3-CZ2 3.91Å; W549-W551 HydrophobicContact CZ3-CZ2 3.91Å; W551-R556 WeakPolarHBondContact CA-O 3.38Å; W551-L557 HydrophobicContact CD2-CD1 3.96Å; W551-L557 HydrophobicContact CE3-CB 3.8Å; W551-L557 HydrophobicContact CE3-CD1 3.94Å; W551-L557 HydrophobicContact CE3-CG 4.49Å; W551-L557 HydrophobicContact CH2-CB 4.39Å; W551-L557 HydrophobicContact CH2-CD1 3.99Å; W551-L557 HydrophobicContact CZ2-CD1 4.04Å; W551-L557 HydrophobicContact CZ3-CB 3.66Å; W551-L557 HydrophobicContact CZ3-CD1 3.94Å; W551-L557 HydrophobicContact CZ3-CG 4.31Å
552T91.9Very high88.9Confident22 Ų2254.6 Ų54.614%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-73.7162.5161.356.40000110.5Q554 G555 R556 L558T552-Q554 PolarHBondContact O-N 3.45Å; T552-G555 PolarHBondContact O-N 3.23Å; T552-R556 PolarHBondContact N-O 3.14Å; T552-R556 WeakPolarHBondContact OG1-CB 3.49Å; T552-R556 PolarHBondContact OG1-N 2.83Å; T552-R556 PolarHBondContact OG1-O 2.89Å; T552-R556 VanDerWaalsContact OG1-O 3.14Å; T552-L558 HydrophobicContact CG2-CD1 3.71Å; T552-L558 HydrophobicContact CG2-CD2 3.77Å; T552-L558 HydrophobicContact CG2-CG 3.77Å
553F89.7Confident89.1Confident53 Ų5354.9 Ų54.923%0.23226%0.26CS..THydrogen-bonded Turntrans-55.4-23.2171.570.8-88.6000114F489 M513 W526 R531 G555F489-F553 HydrophobicContact CD1-CD2 4.14Å; F489-F553 HydrophobicContact CD2-CB 4.36Å; F489-F553 AromaticContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CD2 3.88Å; F489-F553 HydrophobicContact CD2-CG 4.39Å; F489-F553 AromaticContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CD2 3.85Å; F489-F553 HydrophobicContact CE1-CE2 4.06Å; F489-F553 AromaticContact CE2-CD2 3.58Å; F489-F553 HydrophobicContact CE2-CD2 3.58Å; F489-F553 AromaticContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CE2 3.89Å; F489-F553 HydrophobicContact CE2-CG 4.33Å; F489-F553 HydrophobicContact CG-CD2 4.14Å; F489-F553 AromaticContact CZ-CD2 3.56Å; F489-F553 HydrophobicContact CZ-CD2 3.56Å; F489-F553 AromaticContact CZ-CE2 3.56Å; F489-F553 HydrophobicContact CZ-CE2 3.56Å; M513-F553 WeakPolarHBondContact CE-O 3.46Å; W526-F553 HydrophobicContact CH2-CB 4.13Å; W526-F553 HydrophobicContact CZ3-CB 3.85Å; R531-F553 HydrophobicContact CG-CD1 4.37Å; R531-F553 WeakPolarHBondContact O-CB 3.33Å; R531-F553 WeakPolarHBondContact O-CD1 3.49Å; R531-F553 PolarHBondContact O-N 3.47Å; F553-G555 VanDerWaalsContact C-N 3.27Å
554Q89.3Confident89.3Confident107 Ų10753 Ų5350%0.526%0.258SS..THydrogen-bonded Turntrans-79.1-8.9176.2-61.4179.8-17.300113N514 T552N514-Q554 WeakPolarHBondContact CB-O 3.1Å; T552-Q554 PolarHBondContact O-N 3.45Å
555G89.1Confident89.6Confident2 Ų253.3 Ų53.32%0.02125%0.249CC..SBendtrans81.715.8-173.500000114.4F504 N514 T552 F553F504-G555 VanDerWaalsContact CD2-CA 3.47Å; F504-G555 VanDerWaalsContact CE2-CA 3.45Å; N514-G555 PolarHBondContact ND2-O 3.5Å; T552-G555 PolarHBondContact O-N 3.23Å; F553-G555 VanDerWaalsContact C-N 3.27Å
556R90.4Very high90Very high178 Ų17850.4 Ų50.467%0.67223%0.233SC*.  trans-80.7126.4169-179.4-178.7174-179.60.2109.5W551 T552 L558W551-R556 WeakPolarHBondContact CA-O 3.38Å; T552-R556 PolarHBondContact N-O 3.14Å; T552-R556 WeakPolarHBondContact OG1-CB 3.49Å; T552-R556 PolarHBondContact OG1-N 2.83Å; T552-R556 PolarHBondContact OG1-O 2.89Å; T552-R556 VanDerWaalsContact OG1-O 3.14Å; R556-L558 PolarHBondContact O-N 2.85Å
557L90.4Very high90Very high73 Ų7349.5 Ų49.538%0.38223%0.229SC..EExtended strand (participates in β ladder)trans-65.5128.6174-173.164.7000110.1W549 W551W549-L557 HydrophobicContact CB-CD1 4.01Å; W549-L557 HydrophobicContact CD2-CD1 4.49Å; W549-L557 HydrophobicContact CE3-CD1 3.98Å; W549-L557 HydrophobicContact CE3-CD2 4.4Å; W551-L557 HydrophobicContact CD2-CD1 3.96Å; W551-L557 HydrophobicContact CE3-CB 3.8Å; W551-L557 HydrophobicContact CE3-CD1 3.94Å; W551-L557 HydrophobicContact CE3-CG 4.49Å; W551-L557 HydrophobicContact CH2-CB 4.39Å; W551-L557 HydrophobicContact CH2-CD1 3.99Å; W551-L557 HydrophobicContact CZ2-CD1 4.04Å; W551-L557 HydrophobicContact CZ3-CB 3.66Å; W551-L557 HydrophobicContact CZ3-CD1 3.94Å; W551-L557 HydrophobicContact CZ3-CG 4.31Å
558L87.4Confident90Very high55 Ų5551.5 Ų51.529%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-99-53.1173.7-66.4170.9000110.5Y532 L550 T552 R556Y532-L558 HydrophobicContact CD1-CD1 3.5Å; Y532-L558 HydrophobicContact CE1-CD1 3.4Å; L550-L558 HydrophobicContact CD2-CD1 4.2Å; L550-L558 HydrophobicContact CG-CD1 4.35Å; L550-L558 WeakPolarHBondContact O-CB 3.44Å; L550-L558 PolarHBondContact O-N 2.97Å; T552-L558 HydrophobicContact CG2-CD1 3.71Å; T552-L558 HydrophobicContact CG2-CD2 3.77Å; T552-L558 HydrophobicContact CG2-CG 3.77Å; R556-L558 PolarHBondContact O-N 2.85Å
559Q86.4Confident90.1Very high14 Ų1452 Ų527%0.06524%0.241CC..EExtended strand (participates in β ladder)trans-142.7143.5-173.1-69.9163.415.900110.6D189 A190 K191 W549 L550D189-Q559 PolarHBondContact O-NE2 2.91Å; A190-Q559 PolarHBondContact O-NE2 2.95Å; A190-Q559 VanDerWaalsContact O-NE2 3.16Å; K191-Q559 WeakPolarHBondContact O-CG 3.29Å; K191-Q559 PolarHBondContact O-NE2 3.36Å; W549-Q559 WeakPolarHBondContact CA-O 3.42Å; L550-Q559 HydrophobicContact CB-CB 4.32Å; L550-Q559 PolarHBondContact N-O 2.79Å; L550-Q559 PolarHBondContact O-N 3.09Å
560K90.4Very high90.1Very high89 Ų8952.5 Ų52.539%0.38725%0.245SC..EExtended strand (participates in β ladder)trans-117.2114.6164.7174.6169.7179.4169.30107.1D545 W549 N562D545-K560 IonicContact OD1-NZ 3.03Å; D545-K560 IonicContact OD2-NZ 3.9Å; D545-K560 PolarHBondContact OD2-NZ 2.95Å; W549-K560 HydrophobicContact CD2-CD 4.25Å; W549-K560 HydrophobicContact CD2-CG 4.36Å; W549-K560 HydrophobicContact CG-CB 4.48Å; W549-K560 HydrophobicContact CG-CG 4.29Å; W549-K560 HydrophobicContact CZ2-CD 3.9Å; K560-N562 WeakPolarHBondContact CE-OD1 3.4Å; K560-N562 WeakPolarHBondContact CG-OD1 3.44Å
561N89.6Confident90.2Very high27 Ų2752.7 Ų52.714%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-113101.5-179.9-62.898.3000109.1A547 Y548A547-N561 WeakPolarHBondContact CA-O 3.25Å; Y548-N561 HydrophobicContact CD1-CB 4.17Å; Y548-N561 HydrophobicContact CD2-CB 4.2Å; Y548-N561 HydrophobicContact CE1-CB 3.63Å; Y548-N561 HydrophobicContact CE2-CB 3.67Å; Y548-N561 WeakPolarHBondContact CE2-OD1 3.25Å; Y548-N561 HydrophobicContact CG-CB 4.43Å; Y548-N561 PolarHBondContact N-O 2.81Å; Y548-N561 VanDerWaalsContact N-O 3.09Å; Y548-N561 PolarHBondContact O-N 2.88Å
562N90.6Very high90.2Very high94 Ų9452.5 Ų52.550%0.50325%0.245SC..EExtended strand (participates in β ladder)trans-76.8130172.7-65.61000108.7A547 K560A547-N562 VanDerWaalsContact CB-OD1 3.22Å; A547-N562 WeakPolarHBondContact CB-OD1 3.42Å; K560-N562 WeakPolarHBondContact CE-OD1 3.4Å; K560-N562 WeakPolarHBondContact CG-OD1 3.44Å
563K87.1Confident90.2Very high54 Ų5453 Ų5324%0.23525%0.249CC..  trans-135.9126.5-178.7-73.1-65.2-174.3177.60109Y177 N546 Y548 R565 F566Y177-K563 HydrophobicContact CD2-CD 4.35Å; Y177-K563 HydrophobicContact CG-CD 4.45Å; N546-K563 PolarHBondContact O-N 2.79Å; N546-K563 VanDerWaalsContact O-N 3.11Å; N546-K563 VanDerWaalsContact O-O 3.11Å; Y548-K563 HydrophobicContact CD1-CG 4.48Å; Y548-K563 HydrophobicContact CE1-CG 3.94Å; K563-R565 PolarHBondContact O-N 2.87Å; K563-F566 HydrophobicContact CB-CB 4.03Å; K563-F566 HydrophobicContact CB-CD2 4.41Å; K563-F566 PolarHBondContact O-N 3.01Å
564D88Confident90Very high127 Ų12754 Ų5468%0.67925%0.251SS*.THydrogen-bonded Turntrans-60.2129.4179.4-67.2-32.1000110.8E178 F566E178-D564 PolarHBondContact N-O 2.86Å; D564-F566 PolarHBondContact O-N 2.94Å; D564-F566 VanDerWaalsContact O-N 3.16Å
565R88.1Confident89.7Confident99 Ų9949.7 Ų49.737%0.37423%0.233SC..THydrogen-bonded Turntrans46.746.8179.3-56.3178.9-69.3161.41.7111.7A179 E181 W539 K563 C567A179-R565 HydrophobicContact CB-CB 4.12Å; A179-R565 PolarHBondContact N-O 3.03Å; A179-R565 VanDerWaalsContact N-O 3.13Å; E181-R565 IonicContact OE1-CZ 3.39Å; E181-R565 IonicContact OE1-NH1 3.52Å; E181-R565 IonicContact OE1-NH2 3.1Å; E181-R565 PolarHBondContact OE1-NH2 3.34Å; W539-R565 HydrophobicContact CD2-CB 4.4Å; W539-R565 HydrophobicContact CG-CB 4.21Å; K563-R565 PolarHBondContact O-N 2.87Å; R565-C567 PolarHBondContact O-N 2.83Å; R565-C567 PolarHBondContact O-SG 3.18Å
566F91.1Very high89.3Confident0 Ų054.8 Ų54.80%027%0.265CS..  trans-60.7125.7177.5168.1-92.1000110.9V175 V537 W539 N546 Y548 K563 D564 L569V175-F566 HydrophobicContact CG1-CD2 3.84Å; V175-F566 HydrophobicContact CG1-CE2 3.76Å; V537-F566 WeakPolarHBondContact O-CD1 3.41Å; W539-F566 WeakPolarHBondContact CA-O 3.41Å; W539-F566 WeakPolarHBondContact CB-O 3.31Å; W539-F566 PolarHBondContact N-O 2.8Å; N546-F566 HydrophobicContact CB-CB 4.13Å; Y548-F566 HydrophobicContact CD1-CD2 4.04Å; Y548-F566 AromaticContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CE2 3.71Å; Y548-F566 HydrophobicContact CD1-CZ 4.46Å; Y548-F566 HydrophobicContact CG-CE2 4.37Å; K563-F566 HydrophobicContact CB-CB 4.03Å; K563-F566 HydrophobicContact CB-CD2 4.41Å; K563-F566 PolarHBondContact O-N 3.01Å; D564-F566 PolarHBondContact O-N 2.94Å; D564-F566 VanDerWaalsContact O-N 3.16Å; F566-L569 HydrophobicContact CE2-CB 3.81Å; F566-L569 HydrophobicContact CZ-CB 3.5Å
567C89.1Confident88.9Confident2 Ų251 Ų511%0.01426%0.262CS..  trans-100.9-54.8-174.6-71.90000112.4I176 S538 W540 R565I176-C567 HydrophobicContact CB-CB 4.01Å; I176-C567 HydrophobicContact CG2-CB 3.81Å; I176-C567 PolarHBondContact O-N 2.86Å; S538-C567 WeakPolarHBondContact CB-O 3.45Å; S538-C567 PolarHBondContact OG-O 2.85Å; W540-C567 HydrophobicContact CD2-CB 4.15Å; W540-C567 HydrophobicContact CE3-CB 4.4Å; W540-C567 HydrophobicContact CH2-CB 3.78Å; W540-C567 HydrophobicContact CZ2-CB 3.48Å; W540-C567 VanDerWaalsContact CZ2-CB 3.48Å; W540-C567 HydrophobicContact CZ3-CB 4.23Å; R565-C567 PolarHBondContact O-N 2.83Å; R565-C567 PolarHBondContact O-SG 3.18Å
568Q91.4Very high88.5Confident42 Ų4255.7 Ų55.720%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-152.5142-170.3-173.7177.243.700110.8V175 I176 V207 W540 L570V175-Q568 WeakPolarHBondContact CA-O 3.22Å; I176-Q568 HydrophobicContact CD1-CB 4.32Å; I176-Q568 PolarHBondContact N-O 2.98Å; V207-Q568 PolarHBondContact O-OE1 3Å; W540-Q568 HydrophobicContact CH2-CB 4.15Å; W540-Q568 HydrophobicContact CZ3-CB 3.88Å; Q568-L570 HydrophobicContact CG-CD1 4.42Å; Q568-L570 HydrophobicContact CG-CG 4.04Å
569L93.7Very high88.3Confident12 Ų1256.9 Ų56.96%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-125.2134.9164.6-177.4157.2000108.7Y173 S174 V175 V534 Y548 F566Y173-L569 HydrophobicContact CD2-CD1 3.68Å; Y173-L569 HydrophobicContact CD2-CD2 4.29Å; Y173-L569 HydrophobicContact CD2-CG 3.79Å; Y173-L569 HydrophobicContact CE2-CD1 3.76Å; Y173-L569 HydrophobicContact CE2-CG 4.38Å; S174-L569 VanDerWaalsContact O-CA 3.29Å; S174-L569 WeakPolarHBondContact O-CA 3.36Å; V175-L569 HydrophobicContact CG2-CB 4.44Å; V175-L569 HydrophobicContact CG2-CD1 3.89Å; V175-L569 HydrophobicContact CG2-CG 4.06Å; V534-L569 HydrophobicContact CB-CD2 4.23Å; V534-L569 HydrophobicContact CG1-CD2 3.52Å; V534-L569 HydrophobicContact CG2-CD1 3.79Å; V534-L569 HydrophobicContact CG2-CD2 3.91Å; Y548-L569 HydrophobicContact CD1-CD1 4.01Å; Y548-L569 HydrophobicContact CD2-CD1 3.55Å; Y548-L569 HydrophobicContact CE1-CD1 4.45Å; Y548-L569 HydrophobicContact CE2-CD1 4.05Å; Y548-L569 HydrophobicContact CG-CD1 3.52Å; F566-L569 HydrophobicContact CE2-CB 3.81Å; F566-L569 HydrophobicContact CZ-CB 3.5Å
570L93.6Very high88.4Confident40 Ų4058.9 Ų58.921%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-137.3130.7173.5-68.1174.9000110.1Y173 S174 V207 E525 Q568Y173-L570 CarbonylContact C-O 3.59Å; Y173-L570 VanDerWaalsContact CA-O 3.31Å; Y173-L570 WeakPolarHBondContact CA-O 3.33Å; Y173-L570 WeakPolarHBondContact CB-O 3.48Å; S174-L570 PolarHBondContact N-O 2.94Å; S174-L570 PolarHBondContact O-N 3Å; S174-L570 PolarHBondContact OG-O 2.87Å; V207-L570 WeakPolarHBondContact O-CD1 3.49Å; E525-L570 WeakPolarHBondContact OE2-CA 3.46Å; Q568-L570 HydrophobicContact CG-CD1 4.42Å; Q568-L570 HydrophobicContact CG-CG 4.04Å
571W93.8Very high88.1Confident5 Ų558.4 Ų58.42%0.01932%0.316CS..EExtended strand (participates in β ladder)trans-65140.1169.3-72.7102.5000110.9D171 Y173 N188 E525 D527 P528 V534 L550 P573D171-W571 HydrophobicContact CB-CE3 4.11Å; D171-W571 HydrophobicContact CB-CZ3 3.92Å; Y173-W571 HydrophobicContact CD1-CE3 4.04Å; Y173-W571 AromaticContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CH2 3.69Å; Y173-W571 HydrophobicContact CD1-CZ2 4.49Å; Y173-W571 AromaticContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CD1-CZ3 3.45Å; Y173-W571 VanDerWaalsContact CD1-CZ3 3.45Å; Y173-W571 HydrophobicContact CE1-CH2 4.15Å; Y173-W571 HydrophobicContact CE1-CZ3 4.27Å; Y173-W571 HydrophobicContact CG-CE3 4.29Å; Y173-W571 HydrophobicContact CG-CH2 4.4Å; Y173-W571 HydrophobicContact CG-CZ3 4.12Å; N188-W571 HydrophobicContact CB-CH2 3.86Å; N188-W571 HydrophobicContact CB-CZ3 3.84Å; E525-W571 PolarHBondContact OE2-N 2.92Å; E525-W571 VanDerWaalsContact OE2-N 3.08Å; D527-W571 HydrophobicContact CB-CD2 4.12Å; D527-W571 HydrophobicContact CB-CE3 4.41Å; D527-W571 HydrophobicContact CB-CZ2 4.26Å; P528-W571 HydrophobicContact CG-CB 4.33Å; V534-W571 HydrophobicContact CB-CZ2 4.26Å; L550-W571 HydrophobicContact CD1-CH2 4.11Å; L550-W571 HydrophobicContact CD1-CZ2 3.72Å; W571-P573 WeakPolarHBondContact O-CD 3.39Å
572R93.4Very high87.9Confident7 Ų761.3 Ų61.33%0.02633%0.332CS..  trans-70.3115.9170.4-175.4177.9-167.9161.713.9108.1Q172 W209 G213Q172-R572 HydrophobicContact CB-CB 4.06Å; Q172-R572 WeakPolarHBondContact O-CB 3.34Å; Q172-R572 PolarHBondContact O-N 2.92Å; W209-R572 HydrophobicContact CD2-CB 4.2Å; W209-R572 HydrophobicContact CD2-CG 4.01Å; W209-R572 HydrophobicContact CE3-CB 4.47Å; W209-R572 HydrophobicContact CE3-CG 3.81Å; W209-R572 HydrophobicContact CH2-CB 4.31Å; W209-R572 HydrophobicContact CH2-CG 3.96Å; W209-R572 HydrophobicContact CZ2-CB 4.03Å; W209-R572 HydrophobicContact CZ2-CG 4.17Å; W209-R572 HydrophobicContact CZ3-CG 3.77Å; G213-R572 VanDerWaalsContact O-CZ 3.28Å; G213-R572 PolarHBondContact O-NE 2.88Å; G213-R572 PolarHBondContact O-NH2 3.36Å
573P91Very high87.8Confident34 Ų3461.3 Ų61.322%0.22133%0.329CS..PPolyproline II helixtrans-61147.8-179.1-24.636.4000111.8W209 S210 P211 K212 G213 W571W209-P573 HydrophobicContact CB-CG 4.01Å; S210-P573 WeakPolarHBondContact O-CG 3.18Å; P211-P573 VanDerWaalsContact O-CB 3.32Å; P211-P573 WeakPolarHBondContact O-CB 3.39Å; K212-P573 CarbonylContact C-O 3.58Å; G213-P573 WeakPolarHBondContact CA-O 3.46Å; G213-P573 PolarHBondContact N-O 2.92Å; W571-P573 WeakPolarHBondContact O-CD 3.39Å
574R85.6Confident87.8Confident73 Ų7361.4 Ų61.428%0.27533%0.331SS..PPolyproline II helixtrans-99.4137173.8-66-179.179.1129.2-0.8110.5D171 P528D171-R574 VanDerWaalsContact OD1-CD 3.29Å; D171-R574 WeakPolarHBondContact OD1-CD 3.35Å; D171-R574 IonicContact OD1-CZ 3.63Å; D171-R574 IonicContact OD1-NE 3.41Å; D171-R574 IonicContact OD1-NH1 2.69Å; D171-R574 PolarHBondContact OD1-NH1 2.93Å; D171-R574 IonicContact OD2-NH1 3.53Å; P528-R574 HydrophobicContact CB-CB 4.05Å; P528-R574 HydrophobicContact CB-CG 3.81Å; P528-R574 HydrophobicContact CG-CG 4.35Å
575P84.3Confident87.7Confident17 Ų1761.4 Ų61.411%0.1133%0.325CS..PPolyproline II helixtrans-6315616925.8-30.2000110.5I164 K212I164-P575 HydrophobicContact CD1-CG 3.3Å; K212-P575 HydrophobicContact CB-CB 4.1Å; K212-P575 WeakPolarHBondContact O-CD 3.19Å
576P80.9Confident87.6Confident108 Ų10862.7 Ų62.770%0.70134%0.337SS*.PPolyproline II helixtrans-52.6143.9172.4-26.134.5000112.3
577T80.4Confident87.4Confident99 Ų9965.8 Ų65.861%0.60735%0.353SS*.PPolyproline II helixtrans-64.5138.5-179.753.70000111.2L579T577-L579 PolarHBondContact O-N 3.49Å
578L82.6Confident87.1Confident172 Ų17273 Ų7390%0.90138%0.384SS*.  trans-75.4-8.7173.1-67170.1000113.1
579L84Confident87Confident79 Ų7979.6 Ų79.641%0.41441%0.412SS..  trans-66.6137.8-178.5-67168.7000111.3T577 Q583 I584 I587T577-L579 PolarHBondContact O-N 3.49Å; L579-Q583 HydrophobicContact CB-CB 4.5Å; L579-Q583 HydrophobicContact CD2-CB 4.29Å; L579-I584 HydrophobicContact CB-CD1 4.28Å; L579-I584 HydrophobicContact CB-CG1 3.9Å; L579-I587 HydrophobicContact CD1-CD1 3.88Å
580S87.4Confident86.7Confident56 Ų5682.5 Ų82.539%0.39243%0.428SS..  trans-70.4157.917374.80000111.3D582 Q583 I584S580-D582 PolarHBondContact O-N 2.87Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 VanDerWaalsContact O-N 3.16Å; S580-Q583 WeakPolarHBondContact OG-CG 3.37Å; S580-Q583 PolarHBondContact OG-N 2.75Å; S580-I584 WeakPolarHBondContact O-CG1 3.17Å; S580-I584 PolarHBondContact O-N 2.9Å
581S83.8Confident86.2Confident79 Ų7985.8 Ų85.855%0.55245%0.445SS*.Hα-helixtrans-57.4-32.9177.357.30000112.5K585S581-K585 VanDerWaalsContact O-CG 3.31Å; S581-K585 WeakPolarHBondContact O-CG 3.4Å; S581-K585 PolarHBondContact O-N 2.86Å
582D87.1Confident85.8Confident89 Ų8994 Ų9448%0.47648%0.481SS..Hα-helixtrans-75.4-37.7178.4-65.2-29.1000112.7S580 I584 K585 M586S580-D582 PolarHBondContact O-N 2.87Å; D582-I584 VanDerWaalsContact C-N 3.33Å; D582-I584 PolarHBondContact O-N 3.46Å; D582-K585 PolarHBondContact O-N 3.24Å; D582-K585 IonicContact OD1-NZ 2.73Å; D582-K585 PolarHBondContact OD1-NZ 2.84Å; D582-M586 WeakPolarHBondContact O-CG 3.33Å; D582-M586 PolarHBondContact O-N 3.1Å
583Q88.3Confident85.5Confident93 Ų93100.3 Ų100.344%0.43551%0.508SS..Hα-helixtrans-62.1-42.5171.2-73171.7-26.900111.2L579 S580 K585 M586 I587L579-Q583 HydrophobicContact CB-CB 4.5Å; L579-Q583 HydrophobicContact CD2-CB 4.29Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 VanDerWaalsContact O-N 3.16Å; S580-Q583 WeakPolarHBondContact OG-CG 3.37Å; S580-Q583 PolarHBondContact OG-N 2.75Å; Q583-K585 VanDerWaalsContact C-N 3.32Å; Q583-K585 PolarHBondContact O-N 2.78Å; Q583-M586 PolarHBondContact O-N 3.21Å; Q583-I587 VanDerWaalsContact O-CG1 3.28Å; Q583-I587 WeakPolarHBondContact O-CG1 3.42Å; Q583-I587 PolarHBondContact O-N 3.28Å
584I85.6Confident85.1Confident56 Ų56103.3 Ų103.329%0.28752%0.516SS..Hα-helixtrans-61.1-41.8176-65.8168.6000110.7L579 S580 D582 I587 K588L579-I584 HydrophobicContact CB-CD1 4.28Å; L579-I584 HydrophobicContact CB-CG1 3.9Å; S580-I584 WeakPolarHBondContact O-CG1 3.17Å; S580-I584 PolarHBondContact O-N 2.9Å; D582-I584 VanDerWaalsContact C-N 3.33Å; D582-I584 PolarHBondContact O-N 3.46Å; I584-I587 PolarHBondContact O-N 3.06Å; I584-K588 HydrophobicContact CG2-CD 4.4Å; I584-K588 WeakPolarHBondContact O-CG 3.5Å; I584-K588 PolarHBondContact O-N 2.85Å
585K86Confident85Confident128 Ų128102.8 Ų102.856%0.55752%0.523SS*.Hα-helixtrans-62.8-43174.8-72169.3-165.51590112S581 D582 Q583 K588 K589S581-K585 VanDerWaalsContact O-CG 3.31Å; S581-K585 WeakPolarHBondContact O-CG 3.4Å; S581-K585 PolarHBondContact O-N 2.86Å; D582-K585 PolarHBondContact O-N 3.24Å; D582-K585 IonicContact OD1-NZ 2.73Å; D582-K585 PolarHBondContact OD1-NZ 2.84Å; Q583-K585 VanDerWaalsContact C-N 3.32Å; Q583-K585 PolarHBondContact O-N 2.78Å; K585-K588 PolarHBondContact O-N 3.36Å; K585-K589 PolarHBondContact O-N 3Å
586M87.3Confident85Confident125 Ų125108.6 Ų108.662%0.61655%0.547SS*.Hα-helixtrans-62-44.6176.4-70.5-178.6-176.300111.5D582 Q583 K588 K589 D590D582-M586 WeakPolarHBondContact O-CG 3.33Å; D582-M586 PolarHBondContact O-N 3.1Å; Q583-M586 PolarHBondContact O-N 3.21Å; M586-K588 VanDerWaalsContact C-N 3.34Å; M586-K588 PolarHBondContact O-N 2.83Å; M586-K589 WeakPolarHBondContact O-CB 3.41Å; M586-K589 PolarHBondContact O-N 3.29Å; M586-K589 VanDerWaalsContact O-N 3.13Å; M586-D590 PolarHBondContact O-N 3.46Å
587I85.9Confident85.2Confident66 Ų66106.9 Ų106.934%0.33853%0.531SS..Hα-helixtrans-60.5-43.3176.3-67.9163.9000111.1L579 Q583 I584 K589 D590 L591L579-I587 HydrophobicContact CD1-CD1 3.88Å; Q583-I587 VanDerWaalsContact O-CG1 3.28Å; Q583-I587 WeakPolarHBondContact O-CG1 3.42Å; Q583-I587 PolarHBondContact O-N 3.28Å; I584-I587 PolarHBondContact O-N 3.06Å; I587-K589 VanDerWaalsContact C-N 3.31Å; I587-K589 PolarHBondContact O-N 3.23Å; I587-D590 CarbonylContact O-C 3.48Å; I587-D590 PolarHBondContact O-N 3.25Å; I587-L591 PolarHBondContact O-N 3.32Å
588K83.6Confident85.1Confident153 Ų153107.2 Ų107.267%0.66552%0.524SS*.Hα-helixtrans-62.3-37.7175.7-74.2-178.5179.1-171.20112.1I584 K585 M586 L591I584-K588 HydrophobicContact CG2-CD 4.4Å; I584-K588 WeakPolarHBondContact O-CG 3.5Å; I584-K588 PolarHBondContact O-N 2.85Å; K585-K588 PolarHBondContact O-N 3.36Å; M586-K588 VanDerWaalsContact C-N 3.34Å; M586-K588 PolarHBondContact O-N 2.83Å; K588-L591 WeakPolarHBondContact O-CB 3.44Å; K588-L591 PolarHBondContact O-N 3.45Å
589K87.9Confident85Confident180 Ų180105 Ų10578%0.78351%0.509SS*.Hα-helixtrans-65.8-40.8176-170.9-178.5178.5-1760111.8K585 M586 I587 L591K585-K589 PolarHBondContact O-N 3Å; M586-K589 WeakPolarHBondContact O-CB 3.41Å; M586-K589 PolarHBondContact O-N 3.29Å; M586-K589 VanDerWaalsContact O-N 3.13Å; I587-K589 VanDerWaalsContact C-N 3.31Å; I587-K589 PolarHBondContact O-N 3.23Å; K589-L591 VanDerWaalsContact C-N 3.33Å
590D88.4Confident85Confident74 Ų74106.4 Ų106.440%0.39651%0.514SS..THydrogen-bonded Turntrans-91.210.1-178.2-69-22.1000113.7M586 I587 K592 K593 Y594M586-D590 PolarHBondContact O-N 3.46Å; I587-D590 CarbonylContact O-C 3.48Å; I587-D590 PolarHBondContact O-N 3.25Å; D590-K592 PolarHBondContact O-N 2.98Å; D590-K592 VanDerWaalsContact O-N 3.12Å; D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 2.81Å; D590-Y594 HydrophobicContact CB-CD2 4.15Å; D590-Y594 HydrophobicContact CB-CE2 3.75Å; D590-Y594 VanDerWaalsContact O-CD2 3.31Å; D590-Y594 WeakPolarHBondContact O-CD2 3.38Å; D590-Y594 PolarHBondContact O-N 3.08Å
591L83.1Confident84.6Confident108 Ų108108.8 Ų108.857%0.56552%0.517SS*.Hα-helixtrans-55-37.2-174.8-172.866.9000112.8I587 K588 K589 K593 Y594 S595I587-L591 PolarHBondContact O-N 3.32Å; K588-L591 WeakPolarHBondContact O-CB 3.44Å; K588-L591 PolarHBondContact O-N 3.45Å; K589-L591 VanDerWaalsContact C-N 3.33Å; L591-K593 VanDerWaalsContact C-N 3.26Å; L591-K593 PolarHBondContact O-N 3.49Å; L591-Y594 PolarHBondContact O-N 2.8Å; L591-S595 VanDerWaalsContact O-CB 3.28Å; L591-S595 WeakPolarHBondContact O-CB 3.33Å; L591-S595 PolarHBondContact O-N 3Å
592K85.5Confident84.2Confident179 Ų179110.1 Ų110.178%0.77852%0.518SS*.Hα-helixtrans-62.6-31.7177-68.1-174.7-179.9179.70112.9D590 K596D590-K592 PolarHBondContact O-N 2.98Å; D590-K592 VanDerWaalsContact O-N 3.12Å; K592-K596 WeakPolarHBondContact O-CG 3.42Å
593K86.1Confident83.8Confident139 Ų139113.7 Ų113.760%0.60453%0.525SS*.Hα-helixtrans-73.3-47.2176.9-175.4-177.8176.7-175.70110.2D590 L591 K596 I597D590-K593 WeakPolarHBondContact O-CB 3.45Å; D590-K593 PolarHBondContact O-N 2.81Å; L591-K593 VanDerWaalsContact C-N 3.26Å; L591-K593 PolarHBondContact O-N 3.49Å; K593-K596 PolarHBondContact O-N 3.04Å; K593-I597 WeakPolarHBondContact O-CG1 3.44Å; K593-I597 PolarHBondContact O-N 3.32Å
594Y82.3Confident83.3Confident96 Ų96115 Ų11538%0.37653%0.534SS..Hα-helixtrans-64.3-41.7178-67.1-65.8000112.2D590 L591 K596 I597 F598D590-Y594 HydrophobicContact CB-CD2 4.15Å; D590-Y594 HydrophobicContact CB-CE2 3.75Å; D590-Y594 VanDerWaalsContact O-CD2 3.31Å; D590-Y594 WeakPolarHBondContact O-CD2 3.38Å; D590-Y594 PolarHBondContact O-N 3.08Å; L591-Y594 PolarHBondContact O-N 2.8Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.97Å; Y594-I597 WeakPolarHBondContact O-CB 3.44Å; Y594-I597 PolarHBondContact O-N 2.85Å; Y594-F598 WeakPolarHBondContact O-CD2 3.4Å; Y594-F598 PolarHBondContact O-N 3.23Å
595S83.6Confident82.6Confident62 Ų62115.2 Ų115.243%0.43454%0.541SS..Hα-helixtrans-54.9-44.7177.1167.50000112.2L591 I597 F598 E599L591-S595 VanDerWaalsContact O-CB 3.28Å; L591-S595 WeakPolarHBondContact O-CB 3.33Å; L591-S595 PolarHBondContact O-N 3Å; S595-I597 VanDerWaalsContact C-N 3.32Å; S595-I597 PolarHBondContact O-N 3.08Å; S595-F598 PolarHBondContact O-N 3.18Å; S595-E599 VanDerWaalsContact O-CB 3.29Å; S595-E599 WeakPolarHBondContact O-CB 3.41Å; S595-E599 PolarHBondContact O-N 2.74Å
596K85.5Confident81.9Confident140 Ų140115.3 Ų115.361%0.60954%0.543SS*.Hα-helixtrans-63-36.8176.3-70.7-179.8178.8-174.70113K592 K593 Y594 Q600K592-K596 WeakPolarHBondContact O-CG 3.42Å; K593-K596 PolarHBondContact O-N 3.04Å; Y594-K596 VanDerWaalsContact C-N 3.32Å; Y594-K596 PolarHBondContact O-N 2.97Å; K596-Q600 WeakPolarHBondContact O-CB 3.42Å; K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.38Å; K596-Q600 PolarHBondContact O-N 2.91Å; K596-Q600 VanDerWaalsContact O-N 3.1Å
597I83.9Confident81.3Confident72 Ų72112.9 Ų112.937%0.36954%0.538SS..Hα-helixtrans-68.5-46178.9-63167.4000110K593 Y594 S595 Q600 K601K593-I597 WeakPolarHBondContact O-CG1 3.44Å; K593-I597 PolarHBondContact O-N 3.32Å; Y594-I597 WeakPolarHBondContact O-CB 3.44Å; Y594-I597 PolarHBondContact O-N 2.85Å; S595-I597 VanDerWaalsContact C-N 3.32Å; S595-I597 PolarHBondContact O-N 3.08Å; I597-Q600 PolarHBondContact O-N 2.92Å; I597-K601 WeakPolarHBondContact O-CG 3.43Å; I597-K601 PolarHBondContact O-N 2.87Å
598F80.1Confident80.6Confident106 Ų106117.4 Ų117.447%0.46556%0.556SS.*Hα-helixtrans-65.7-44.2177.9-73.7-65.5000111.9Y594 S595 Q600 K601 D602Y594-F598 WeakPolarHBondContact O-CD2 3.4Å; Y594-F598 PolarHBondContact O-N 3.23Å; S595-F598 PolarHBondContact O-N 3.18Å; F598-Q600 VanDerWaalsContact C-N 3.29Å; F598-Q600 PolarHBondContact O-N 3.05Å; F598-K601 WeakPolarHBondContact O-CB 3.48Å; F598-K601 PolarHBondContact O-N 3.06Å; F598-K601 VanDerWaalsContact O-N 3.08Å; F598-D602 WeakPolarHBondContact O-CB 3.5Å; F598-D602 VanDerWaalsContact O-CG 3.27Å; F598-D602 PolarHBondContact O-N 2.75Å
599E79.8Confident79.6Confident124 Ų124111.9 Ų111.958%0.57954%0.538SS*.Hα-helixtrans-61-38.3177.2-171.3-179.7-179.200112.2S595 R603S595-E599 VanDerWaalsContact O-CB 3.29Å; S595-E599 WeakPolarHBondContact O-CB 3.41Å; S595-E599 PolarHBondContact O-N 2.74Å; E599-R603 VanDerWaalsContact O-CB 3.3Å; E599-R603 WeakPolarHBondContact O-CB 3.42Å; E599-R603 PolarHBondContact O-N 2.73Å
600Q82.9Confident78.7Confident110 Ų110106.1 Ų106.151%0.51452%0.521SS..Hα-helixtrans-65-43.7173.1-76.5177.30.100112.3K596 I597 F598 L604K596-Q600 WeakPolarHBondContact O-CB 3.42Å; K596-Q600 VanDerWaalsContact O-CG 3.23Å; K596-Q600 WeakPolarHBondContact O-CG 3.38Å; K596-Q600 PolarHBondContact O-N 2.91Å; K596-Q600 VanDerWaalsContact O-N 3.1Å; I597-Q600 PolarHBondContact O-N 2.92Å; F598-Q600 VanDerWaalsContact C-N 3.29Å; F598-Q600 PolarHBondContact O-N 3.05Å; Q600-L604 WeakPolarHBondContact O-CB 3.42Å; Q600-L604 WeakPolarHBondContact O-CD1 3.47Å; Q600-L604 VanDerWaalsContact O-CG 3.31Å; Q600-L604 WeakPolarHBondContact O-CG 3.12Å; Q600-L604 PolarHBondContact O-N 3.32Å
601K79.3Confident78.1Confident105 Ų105109 Ų10946%0.45753%0.53SS..Hα-helixtrans-62.1-45.6175.8-76.1-176.8174.4-170.70111.7I597 F598 R603 L604 S605I597-K601 WeakPolarHBondContact O-CG 3.43Å; I597-K601 PolarHBondContact O-N 2.87Å; F598-K601 WeakPolarHBondContact O-CB 3.48Å; F598-K601 PolarHBondContact O-N 3.06Å; F598-K601 VanDerWaalsContact O-N 3.08Å; K601-R603 PolarHBondContact O-N 2.85Å; K601-L604 PolarHBondContact O-N 3.48Å; K601-S605 WeakPolarHBondContact O-CB 3.43Å; K601-S605 PolarHBondContact O-N 2.85Å
602D76.1Confident77.7Confident107 Ų107108.8 Ų108.857%0.57253%0.526SS*.Hα-helixtrans-62.6-44.7179.5-69.3-11.5000110.7F598 L604 S605 Q606F598-D602 WeakPolarHBondContact O-CB 3.5Å; F598-D602 VanDerWaalsContact O-CG 3.27Å; F598-D602 PolarHBondContact O-N 2.75Å; D602-L604 PolarHBondContact O-N 2.85Å; D602-S605 PolarHBondContact O-N 2.89Å; D602-Q606 WeakPolarHBondContact O-CB 3.2Å; D602-Q606 PolarHBondContact O-N 2.86Å
603R77.7Confident77.1Confident164 Ų164104.7 Ų104.762%0.61951%0.512SS*.Hα-helixtrans-62.6-41.2176-171176.468.4-1642.6112.4E599 K601 Q606 S607E599-R603 VanDerWaalsContact O-CB 3.3Å; E599-R603 WeakPolarHBondContact O-CB 3.42Å; E599-R603 PolarHBondContact O-N 2.73Å; K601-R603 PolarHBondContact O-N 2.85Å; R603-Q606 PolarHBondContact O-N 3.15Å; R603-S607 WeakPolarHBondContact O-CB 3.23Å; R603-S607 PolarHBondContact O-N 3.32Å
604L78.4Confident76.6Confident121 Ų121101.4 Ų101.463%0.63450%0.503SS*.Hα-helixtrans-65-44.6176-78.9161.9000111.6Q600 K601 D602 Q606 S607 K608Q600-L604 WeakPolarHBondContact O-CB 3.42Å; Q600-L604 WeakPolarHBondContact O-CD1 3.47Å; Q600-L604 VanDerWaalsContact O-CG 3.31Å; Q600-L604 WeakPolarHBondContact O-CG 3.12Å; Q600-L604 PolarHBondContact O-N 3.32Å; K601-L604 PolarHBondContact O-N 3.48Å; D602-L604 PolarHBondContact O-N 2.85Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; L604-S607 PolarHBondContact O-N 3.48Å; L604-K608 WeakPolarHBondContact O-CB 3.42Å; L604-K608 PolarHBondContact O-N 2.83Å
605S71.1Confident76.7Confident61 Ų61100.2 Ų100.243%0.42750%0.504SS..Hα-helixtrans-63.3-40.8175.4-178.60000111.7K191 K601 D602 S607 K608 A609K191-S605 PolarHBondContact NZ-O 2.97Å; K601-S605 WeakPolarHBondContact O-CB 3.43Å; K601-S605 PolarHBondContact O-N 2.85Å; D602-S605 PolarHBondContact O-N 2.89Å; S605-S607 PolarHBondContact O-N 3.26Å; S605-K608 PolarHBondContact O-N 2.84Å; S605-A609 PolarHBondContact O-N 2.88Å
606Q70.8Confident76.7Confident129 Ų129103.2 Ų103.260%0.60351%0.509SS*.Hα-helixtrans-60.1-48.4176.1-164.6176.99.500111K191 D602 R603 L604 S610K191-Q606 PolarHBondContact NZ-O 3.07Å; D602-Q606 WeakPolarHBondContact O-CB 3.2Å; D602-Q606 PolarHBondContact O-N 2.86Å; R603-Q606 PolarHBondContact O-N 3.15Å; L604-Q606 VanDerWaalsContact C-N 3.34Å; Q606-S610 WeakPolarHBondContact O-CB 3.45Å; Q606-S610 PolarHBondContact O-N 2.93Å; Q606-S610 PolarHBondContact O-OG 2.79Å
607S74.4Confident76.5Confident74 Ų74104.6 Ų104.652%0.51751%0.51SS..Hα-helixtrans-66.2-36.8178.2-179.70000113.6R603 L604 S605 S610 K611R603-S607 WeakPolarHBondContact O-CB 3.23Å; R603-S607 PolarHBondContact O-N 3.32Å; L604-S607 PolarHBondContact O-N 3.48Å; S605-S607 PolarHBondContact O-N 3.26Å; S607-S610 WeakPolarHBondContact CA-OG 3.44Å; S607-S610 PolarHBondContact O-OG 3.05Å; S607-K611 WeakPolarHBondContact O-CB 3.46Å; S607-K611 PolarHBondContact O-N 2.82Å; S607-K611 VanDerWaalsContact O-N 3.11Å
608K71.9Confident76.5Confident161 Ų161108.5 Ų108.570%0.752%0.52SS*.Hα-helixtrans-68.4-48178.8-172.2-178.8177.9-173.40111.4L604 S605 K611 E612L604-K608 WeakPolarHBondContact O-CB 3.42Å; L604-K608 PolarHBondContact O-N 2.83Å; S605-K608 PolarHBondContact O-N 2.84Å; K608-K611 WeakPolarHBondContact O-CB 3.15Å; K608-K611 PolarHBondContact O-N 2.95Å; K608-E612 PolarHBondContact O-N 2.83Å
609A62.5Low77Confident37 Ų37106.2 Ų106.231%0.30652%0.521SS..Hα-helixtrans-77.1-24.5-179.100000113K191 S605 K611 L613K191-A609 HydrophobicContact CD-CB 4.27Å; S605-A609 PolarHBondContact O-N 2.88Å; A609-K611 VanDerWaalsContact C-N 3.33Å; A609-L613 WeakPolarHBondContact O-CB 3.31Å; A609-L613 PolarHBondContact O-N 2.87Å
610S70.1Confident77.4Confident59 Ų59106.6 Ų106.641%0.41352%0.524SS..Hα-helixtrans-65.7-40.1167.263.60000111Q606 S607 V614Q606-S610 WeakPolarHBondContact O-CB 3.45Å; Q606-S610 PolarHBondContact O-N 2.93Å; Q606-S610 PolarHBondContact O-OG 2.79Å; S607-S610 WeakPolarHBondContact CA-OG 3.44Å; S607-S610 PolarHBondContact O-OG 3.05Å; S610-V614 VanDerWaalsContact O-CB 3.27Å; S610-V614 WeakPolarHBondContact O-CB 3.28Å; S610-V614 WeakPolarHBondContact O-CG2 3.38Å; S610-V614 PolarHBondContact O-N 2.83Å
611K75.8Confident77.5Confident136 Ų136106.9 Ų106.959%0.59153%0.527SS*.Hα-helixtrans-62.1-48.4174.7-172.7177.9178.3-1770112.2S607 K608 A609 L613 V614 D615S607-K611 WeakPolarHBondContact O-CB 3.46Å; S607-K611 PolarHBondContact O-N 2.82Å; S607-K611 VanDerWaalsContact O-N 3.11Å; K608-K611 WeakPolarHBondContact O-CB 3.15Å; K608-K611 PolarHBondContact O-N 2.95Å; A609-K611 VanDerWaalsContact C-N 3.33Å; K611-L613 PolarHBondContact O-N 2.88Å; K611-V614 PolarHBondContact O-N 2.87Å; K611-D615 WeakPolarHBondContact O-CB 3.37Å; K611-D615 PolarHBondContact O-N 3.34Å
612E74.6Confident78.2Confident103 Ų103106.1 Ų106.148%0.48153%0.525SS..Hα-helixtrans-63-41.1179.7-166.9-172.8150.100112.6K608 D615 K616K608-E612 PolarHBondContact O-N 2.83Å; E612-D615 PolarHBondContact O-N 2.73Å; E612-K616 PolarHBondContact O-N 3.38Å; E612-K616 IonicContact OE1-NZ 2.75Å; E612-K616 PolarHBondContact OE1-NZ 3.47Å; E612-K616 VanDerWaalsContact OE1-NZ 3.13Å
613L73Confident78.9Confident93 Ų93107.4 Ų107.449%0.48753%0.528SS..Hα-helixtrans-65-41.9175.6-167101.5000111.4A609 K611 D615 K616 R617A609-L613 WeakPolarHBondContact O-CB 3.31Å; A609-L613 PolarHBondContact O-N 2.87Å; K611-L613 PolarHBondContact O-N 2.88Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-K616 PolarHBondContact O-N 2.84Å; L613-R617 WeakPolarHBondContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CG 3.29Å; L613-R617 PolarHBondContact O-N 3.29Å
614V75.5Confident79.6Confident69 Ų69106.7 Ų106.742%0.41853%0.526SS..Hα-helixtrans-64.4-40.8176168.30000110.7S610 K611 R617 R618S610-V614 VanDerWaalsContact O-CB 3.27Å; S610-V614 WeakPolarHBondContact O-CB 3.28Å; S610-V614 WeakPolarHBondContact O-CG2 3.38Å; S610-V614 PolarHBondContact O-N 2.83Å; K611-V614 PolarHBondContact O-N 2.87Å; V614-R617 PolarHBondContact O-N 3.38Å; V614-R618 WeakPolarHBondContact O-CB 3.37Å; V614-R618 PolarHBondContact O-N 2.95Å
615D83.3Confident80.3Confident72 Ų72106.9 Ų106.939%0.38552%0.518SS..Hα-helixtrans-67.4-41178.6-70-18.9000111.2K611 E612 L613 R618 A619K611-D615 WeakPolarHBondContact O-CB 3.37Å; K611-D615 PolarHBondContact O-N 3.34Å; E612-D615 PolarHBondContact O-N 2.73Å; L613-D615 VanDerWaalsContact C-N 3.34Å; D615-R618 PolarHBondContact O-N 2.77Å; D615-A619 WeakPolarHBondContact O-CB 3.31Å; D615-A619 PolarHBondContact O-N 3.43Å
616K84Confident81.4Confident125 Ų125109.5 Ų109.554%0.54352%0.524SS..Hα-helixtrans-62.5-46.6172.2-78.1180-177.5165.50112.4E612 L613 R618 A619 M620E612-K616 PolarHBondContact O-N 3.38Å; E612-K616 IonicContact OE1-NZ 2.75Å; E612-K616 PolarHBondContact OE1-NZ 3.47Å; E612-K616 VanDerWaalsContact OE1-NZ 3.13Å; L613-K616 PolarHBondContact O-N 2.84Å; K616-R618 VanDerWaalsContact C-N 3.29Å; K616-R618 PolarHBondContact O-N 2.89Å; K616-A619 PolarHBondContact O-N 3.1Å; K616-M620 PolarHBondContact O-N 3.39Å
617R81.3Confident82.4Confident168 Ų168111.2 Ų111.263%0.63453%0.526SS*.Hα-helixtrans-62.5-38.5176.2-76.4-179.6177.2-178.2-0.3111.6L613 V614 M621L613-R617 WeakPolarHBondContact O-CB 3.3Å; L613-R617 WeakPolarHBondContact O-CG 3.29Å; L613-R617 PolarHBondContact O-N 3.29Å; V614-R617 PolarHBondContact O-N 3.38Å; R617-M621 VanDerWaalsContact O-CB 3.3Å; R617-M621 WeakPolarHBondContact O-CB 3.08Å; R617-M621 PolarHBondContact O-N 3.4Å
618R84.1Confident83.3Confident154 Ų154114.3 Ų114.358%0.58153%0.526SS*.Hα-helixtrans-64.7-44.4175.2-171.5-179.2-67.8-174.2-2.2110.8V614 D615 K616 M621 E622V614-R618 WeakPolarHBondContact O-CB 3.37Å; V614-R618 PolarHBondContact O-N 2.95Å; D615-R618 PolarHBondContact O-N 2.77Å; K616-R618 VanDerWaalsContact C-N 3.29Å; K616-R618 PolarHBondContact O-N 2.89Å; R618-M621 PolarHBondContact O-N 3.1Å; R618-E622 WeakPolarHBondContact O-CB 3.38Å; R618-E622 PolarHBondContact O-N 3.32Å
619A90.6Very high84.2Confident58 Ų58111.3 Ų111.348%0.47952%0.515SS..Hα-helixtrans-60.6-46.917600000112.2D615 K616 M621 E622 E623D615-A619 WeakPolarHBondContact O-CB 3.31Å; D615-A619 PolarHBondContact O-N 3.43Å; K616-A619 PolarHBondContact O-N 3.1Å; A619-M621 VanDerWaalsContact C-N 3.32Å; A619-M621 PolarHBondContact O-N 3.36Å; A619-E622 WeakPolarHBondContact O-CB 3.3Å; A619-E622 PolarHBondContact O-N 2.94Å; A619-E623 WeakPolarHBondContact O-CB 3.41Å; A619-E623 PolarHBondContact O-N 3.33Å
620M88.5Confident85.6Confident132 Ų132111.9 Ų111.965%0.6552%0.52SS*.Hα-helixtrans-62.4-38.7175.4-72179.417700112.4K616 E623 Y624K616-M620 PolarHBondContact O-N 3.39Å; M620-E623 PolarHBondContact O-N 2.89Å; M620-Y624 WeakPolarHBondContact O-CB 3.49Å; M620-Y624 PolarHBondContact O-N 3.2Å
621M85.6Confident86.5Confident117 Ų117111.1 Ų111.158%0.57652%0.517SS*.Hα-helixtrans-67.5-37.7176.5-171.3-174.6-69.200111.7R617 R618 A619 R625R617-M621 VanDerWaalsContact O-CB 3.3Å; R617-M621 WeakPolarHBondContact O-CB 3.08Å; R617-M621 PolarHBondContact O-N 3.4Å; R618-M621 PolarHBondContact O-N 3.1Å; A619-M621 VanDerWaalsContact C-N 3.32Å; A619-M621 PolarHBondContact O-N 3.36Å; M621-R625 VanDerWaalsContact O-CB 3.31Å; M621-R625 WeakPolarHBondContact O-CB 3.42Å; M621-R625 PolarHBondContact O-N 3.42Å
622E92.2Very high87.1Confident89 Ų89108.7 Ų108.742%0.41651%0.508SS..Hα-helixtrans-66-45.8175.2-155.878.7-152.500110.8R618 A619 R625 Q626R618-E622 WeakPolarHBondContact O-CB 3.38Å; R618-E622 PolarHBondContact O-N 3.32Å; A619-E622 WeakPolarHBondContact O-CB 3.3Å; A619-E622 PolarHBondContact O-N 2.94Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.03Å; E622-R625 VanDerWaalsContact O-N 3.16Å; E622-Q626 WeakPolarHBondContact O-CG 3.38Å; E622-Q626 PolarHBondContact O-N 3.26Å
623E92.6Very high87.8Confident133 Ų133109.4 Ų109.462%0.62151%0.511SS*.Hα-helixtrans-62-44.1176.7-171.9177.1-170.400111.3A619 M620 R625 Q626 Y627A619-E623 WeakPolarHBondContact O-CB 3.41Å; A619-E623 PolarHBondContact O-N 3.33Å; M620-E623 PolarHBondContact O-N 2.89Å; E623-R625 VanDerWaalsContact C-N 3.32Å; E623-R625 PolarHBondContact O-N 3.41Å; E623-Q626 PolarHBondContact O-N 3.16Å; E623-Y627 WeakPolarHBondContact O-CB 3.41Å; E623-Y627 PolarHBondContact O-N 2.93Å
624Y91.9Very high88.5Confident149 Ų149109.4 Ų109.458%0.58451%0.511SS*.Hα-helixtrans-62.8-39.1173.5-178.7-104.4000112.2M620 Y627 R628M620-Y624 WeakPolarHBondContact O-CB 3.49Å; M620-Y624 PolarHBondContact O-N 3.2Å; Y624-Y627 PolarHBondContact O-N 3.19Å; Y624-R628 VanDerWaalsContact O-CB 3.28Å; Y624-R628 WeakPolarHBondContact O-CB 3.41Å; Y624-R628 PolarHBondContact O-N 2.88Å
625R92.3Very high88.9Confident125 Ų125111.3 Ų111.347%0.47251%0.511SS..Hα-helixtrans-65.8-45.1176.9-173.5-178.8-66171.8-0.6111.1M621 E622 E623 R628 E629M621-R625 VanDerWaalsContact O-CB 3.31Å; M621-R625 WeakPolarHBondContact O-CB 3.42Å; M621-R625 PolarHBondContact O-N 3.42Å; E622-R625 WeakPolarHBondContact O-CB 3.41Å; E622-R625 PolarHBondContact O-N 3.03Å; E622-R625 VanDerWaalsContact O-N 3.16Å; E623-R625 VanDerWaalsContact C-N 3.32Å; E623-R625 PolarHBondContact O-N 3.41Å; R625-R628 PolarHBondContact O-N 2.83Å; R625-E629 WeakPolarHBondContact O-CB 3.37Å; R625-E629 WeakPolarHBondContact O-CG 3.39Å; R625-E629 PolarHBondContact O-N 2.98Å
626Q93.8Very high88.9Confident117 Ų117113.8 Ų113.855%0.54752%0.52SS..Hα-helixtrans-61.6-44.6175.9-72.6174.716.300111.4E622 E623 R628 E629 A630E622-Q626 WeakPolarHBondContact O-CG 3.38Å; E622-Q626 PolarHBondContact O-N 3.26Å; E623-Q626 PolarHBondContact O-N 3.16Å; Q626-R628 VanDerWaalsContact C-N 3.35Å; Q626-R628 PolarHBondContact O-N 3.25Å; Q626-E629 PolarHBondContact O-N 3.49Å; Q626-A630 VanDerWaalsContact O-CB 3.31Å; Q626-A630 WeakPolarHBondContact O-CB 3.31Å; Q626-A630 PolarHBondContact O-N 3.43Å
627Y93.1Very high89Confident164 Ų164114.7 Ų114.764%0.64353%0.527SS*.Hα-helixtrans-58.9-46.4173.6170.7-100.6000111.6E623 Y624 A630 A631E623-Y627 WeakPolarHBondContact O-CB 3.41Å; E623-Y627 PolarHBondContact O-N 2.93Å; Y624-Y627 PolarHBondContact O-N 3.19Å; Y627-A630 PolarHBondContact O-N 2.97Å; Y627-A631 VanDerWaalsContact O-CB 3.29Å; Y627-A631 WeakPolarHBondContact O-CB 3.48Å; Y627-A631 PolarHBondContact O-N 3.13Å
628R92Very high89.1Confident139 Ų139111.1 Ų111.153%0.52552%0.517SS..Hα-helixtrans-62.8-43.5178.8-175.8-178.3176.1-171.41.8111.7Y624 R625 Q626 A631 Q632Y624-R628 VanDerWaalsContact O-CB 3.28Å; Y624-R628 WeakPolarHBondContact O-CB 3.41Å; Y624-R628 PolarHBondContact O-N 2.88Å; R625-R628 PolarHBondContact O-N 2.83Å; Q626-R628 VanDerWaalsContact C-N 3.35Å; Q626-R628 PolarHBondContact O-N 3.25Å; R628-A631 PolarHBondContact O-N 2.97Å; R628-Q632 WeakPolarHBondContact O-CB 3.22Å; R628-Q632 VanDerWaalsContact O-CG 3.27Å; R628-Q632 WeakPolarHBondContact O-CG 3.39Å; R628-Q632 PolarHBondContact O-N 3.29Å
629E92.6Very high88.9Confident98 Ų98106.4 Ų106.446%0.45850%0.501SS..Hα-helixtrans-64.7-44.3176.8-77.5175.8-168.300111.3R625 Q626 Q632 Q633R625-E629 WeakPolarHBondContact O-CB 3.37Å; R625-E629 WeakPolarHBondContact O-CG 3.39Å; R625-E629 PolarHBondContact O-N 2.98Å; Q626-E629 PolarHBondContact O-N 3.49Å; E629-Q632 PolarHBondContact O-N 2.79Å; E629-Q633 WeakPolarHBondContact O-CB 3.33Å; E629-Q633 VanDerWaalsContact O-CG 3.29Å; E629-Q633 WeakPolarHBondContact O-CG 3.37Å; E629-Q633 PolarHBondContact O-N 2.63Å
630A91.9Very high88.4Confident50 Ų50107.3 Ų107.341%0.41350%0.503SS..Hα-helixtrans-61.9-44.7175.600000111.4Q626 Y627 Q632 Q633 L634Q626-A630 VanDerWaalsContact O-CB 3.31Å; Q626-A630 WeakPolarHBondContact O-CB 3.31Å; Q626-A630 PolarHBondContact O-N 3.43Å; Y627-A630 PolarHBondContact O-N 2.97Å; A630-Q632 PolarHBondContact O-N 3.34Å; A630-Q633 PolarHBondContact O-N 3.06Å; A630-L634 WeakPolarHBondContact O-CB 3.36Å; A630-L634 PolarHBondContact O-N 3.29Å
631A88.9Confident88Confident42 Ų42105.7 Ų105.735%0.34750%0.497SS..Hα-helixtrans-63.9-39.5176.300000112.1Y627 R628 L634 Y635Y627-A631 VanDerWaalsContact O-CB 3.29Å; Y627-A631 WeakPolarHBondContact O-CB 3.48Å; Y627-A631 PolarHBondContact O-N 3.13Å; R628-A631 PolarHBondContact O-N 2.97Å; A631-L634 PolarHBondContact O-N 3.23Å; A631-Y635 VanDerWaalsContact O-CB 3.28Å; A631-Y635 WeakPolarHBondContact O-CB 3.15Å; A631-Y635 PolarHBondContact O-N 3.46Å
632Q88Confident87.7Confident86 Ų86101.8 Ų101.840%0.40248%0.476SS..Hα-helixtrans-65.3-42.8174.3-79.1177.9-2300111.9R628 E629 A630 Y635 H636R628-Q632 WeakPolarHBondContact O-CB 3.22Å; R628-Q632 VanDerWaalsContact O-CG 3.27Å; R628-Q632 WeakPolarHBondContact O-CG 3.39Å; R628-Q632 PolarHBondContact O-N 3.29Å; E629-Q632 PolarHBondContact O-N 2.79Å; A630-Q632 PolarHBondContact O-N 3.34Å; Q632-Y635 WeakPolarHBondContact O-CB 3.46Å; Q632-Y635 PolarHBondContact O-N 3.42Å; Q632-H636 PolarHBondContact O-CD2 2.97Å; Q632-H636 PolarHBondContact O-N 2.88Å
633Q88.9Confident86.9Confident118 Ų11899.8 Ų99.855%0.55147%0.468SS*.Hα-helixtrans-60.8-46.4174.9-74.6172.94.200111.1E629 A630 Y635 H636 E637E629-Q633 WeakPolarHBondContact O-CB 3.33Å; E629-Q633 VanDerWaalsContact O-CG 3.29Å; E629-Q633 WeakPolarHBondContact O-CG 3.37Å; E629-Q633 PolarHBondContact O-N 2.63Å; A630-Q633 PolarHBondContact O-N 3.06Å; Q633-Y635 VanDerWaalsContact C-N 3.3Å; Q633-Y635 PolarHBondContact O-N 3.08Å; Q633-H636 PolarHBondContact O-N 2.73Å; Q633-H636 VanDerWaalsContact O-N 3.14Å; Q633-E637 WeakPolarHBondContact O-CG 3.42Å; Q633-E637 PolarHBondContact O-N 2.71Å
634L87.1Confident86.1Confident92 Ų92100.8 Ų100.848%0.48247%0.472SS..Hα-helixtrans-62.9-39177.7-138.8153000111.3A630 A631 E637 Q638A630-L634 WeakPolarHBondContact O-CB 3.36Å; A630-L634 PolarHBondContact O-N 3.29Å; A631-L634 PolarHBondContact O-N 3.23Å; L634-E637 PolarHBondContact O-N 3.48Å; L634-Q638 HydrophobicContact CD2-CG 4.19Å; L634-Q638 WeakPolarHBondContact O-CB 3.2Å; L634-Q638 VanDerWaalsContact O-CG 3.25Å; L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.99Å
635Y83.9Confident85.4Confident109 Ų109100.4 Ų100.443%0.42748%0.48SS..Hα-helixtrans-62.3-42.7173.2-171.9-99.6000112.2A631 Q632 Q633 K639 R642 D652A631-Y635 VanDerWaalsContact O-CB 3.28Å; A631-Y635 WeakPolarHBondContact O-CB 3.15Å; A631-Y635 PolarHBondContact O-N 3.46Å; Q632-Y635 WeakPolarHBondContact O-CB 3.46Å; Q632-Y635 PolarHBondContact O-N 3.42Å; Q633-Y635 VanDerWaalsContact C-N 3.3Å; Q633-Y635 PolarHBondContact O-N 3.08Å; Y635-K639 PolarHBondContact O-N 2.87Å; Y635-R642 VanDerWaalsContact CD1-NH2 3.28Å; Y635-R642 VanDerWaalsContact CE2-CZ 3.44Å; Y635-R642 VanDerWaalsContact CE2-NH1 3.3Å; Y635-R642 VanDerWaalsContact CZ-NH2 3.32Å; Y635-R642 PolarHBondContact O-NH2 2.81Å; Y635-R642 PolarHBondContact OH-NH1 3.26Å; Y635-D652 WeakPolarHBondContact CE1-OD2 3.5Å; Y635-D652 PolarHBondContact OH-OD1 2.96Å
636H83.8Confident84.6Confident124 Ų124100.5 Ų100.557%0.57448%0.48SS*.Hα-helixtrans-68.8-40.9176.2-73.8-56.4000112.7Q632 Q633 Q638 K639Q632-H636 PolarHBondContact O-CD2 2.97Å; Q632-H636 PolarHBondContact O-N 2.88Å; Q633-H636 PolarHBondContact O-N 2.73Å; Q633-H636 VanDerWaalsContact O-N 3.14Å; H636-Q638 VanDerWaalsContact C-N 3.31Å; H636-Q638 PolarHBondContact O-N 2.76Å; H636-K639 WeakPolarHBondContact O-CB 3.48Å; H636-K639 PolarHBondContact O-N 2.93Å; H636-K639 VanDerWaalsContact O-N 3.09Å
637E85.8Confident83.6Confident145 Ų14598.3 Ų98.368%0.67849%0.489SS*.Hα-helixtrans-62.2-40.4174.7-75178.9177.100111.4Q633 L634 K639 S640Q633-E637 WeakPolarHBondContact O-CG 3.42Å; Q633-E637 PolarHBondContact O-N 2.71Å; L634-E637 PolarHBondContact O-N 3.48Å; E637-K639 PolarHBondContact O-N 2.95Å; E637-S640 PolarHBondContact O-OG 3.11Å
638Q83.4Confident82.2Confident92 Ų9293.2 Ų93.243%0.4349%0.487SS..THydrogen-bonded Turntrans-74-5.9175.9-71.1-179.6-400113.5L634 H636 S640 L641 R642L634-Q638 HydrophobicContact CD2-CG 4.19Å; L634-Q638 WeakPolarHBondContact O-CB 3.2Å; L634-Q638 VanDerWaalsContact O-CG 3.25Å; L634-Q638 WeakPolarHBondContact O-CG 3.3Å; L634-Q638 PolarHBondContact O-N 2.99Å; H636-Q638 VanDerWaalsContact C-N 3.31Å; H636-Q638 PolarHBondContact O-N 2.76Å; Q638-S640 VanDerWaalsContact C-N 3.31Å; Q638-S640 PolarHBondContact O-N 3.27Å; Q638-L641 PolarHBondContact O-N 3.45Å; Q638-R642 WeakPolarHBondContact O-CB 3.43Å; Q638-R642 VanDerWaalsContact O-CG 3.29Å; Q638-R642 WeakPolarHBondContact O-CG 3.03Å; Q638-R642 PolarHBondContact O-N 2.93Å
639K80.1Confident81Confident56 Ų5691.1 Ų91.124%0.24349%0.489CS..Hα-helixtrans-59.1-41.9-177.4-173.5174.2177173.90111.8Y635 H636 E637 R642 L643 D650Y635-K639 PolarHBondContact O-N 2.87Å; H636-K639 WeakPolarHBondContact O-CB 3.48Å; H636-K639 PolarHBondContact O-N 2.93Å; H636-K639 VanDerWaalsContact O-N 3.09Å; E637-K639 PolarHBondContact O-N 2.95Å; K639-R642 PolarHBondContact O-N 2.69Å; K639-L643 HydrophobicContact CG-CD1 3.88Å; K639-L643 WeakPolarHBondContact O-CB 3.36Å; K639-L643 WeakPolarHBondContact O-CD1 3.2Å; K639-L643 WeakPolarHBondContact O-CG 3Å; K639-L643 PolarHBondContact O-N 3.33Å; K639-D650 WeakPolarHBondContact CE-OD1 3.48Å; K639-D650 WeakPolarHBondContact CE-OD2 3.41Å; K639-D650 IonicContact NZ-OD1 3.38Å; K639-D650 IonicContact NZ-OD2 3.99Å; K639-D650 PolarHBondContact NZ-OD2 3.48Å
640S79.5Confident79.6Confident76 Ų7688.8 Ų88.853%0.53148%0.48SS..Hα-helixtrans-61.2-47.2177.552.60000112.1E637 Q638 R642 L643 E644E637-S640 PolarHBondContact O-OG 3.11Å; Q638-S640 VanDerWaalsContact C-N 3.31Å; Q638-S640 PolarHBondContact O-N 3.27Å; S640-R642 VanDerWaalsContact C-N 3.35Å; S640-R642 PolarHBondContact O-N 2.86Å; S640-L643 WeakPolarHBondContact O-CB 3.5Å; S640-L643 PolarHBondContact O-N 2.81Å; S640-E644 WeakPolarHBondContact O-CG 3.47Å; S640-E644 PolarHBondContact O-N 2.7Å
641L80.1Confident78.3Confident98 Ų9889.8 Ų89.851%0.51348%0.481SS..Hα-helixtrans-64.1-40176.9-160.887.7000111.6Q638 E644 L645Q638-L641 PolarHBondContact O-N 3.45Å; L641-E644 PolarHBondContact O-N 2.96Å; L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 HydrophobicContact CG-CD1 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.12Å; L641-L645 VanDerWaalsContact O-CG 3.29Å; L641-L645 WeakPolarHBondContact O-CG 3.47Å; L641-L645 PolarHBondContact O-N 3.02Å
642R79.1Confident77.2Confident35 Ų3589.7 Ų89.713%0.13247%0.474CS..Hα-helixtrans-66.8-38177.7-71.6-173.7-65.6122.61.5111.8Y635 Q638 K639 S640 R646 D652Y635-R642 VanDerWaalsContact CD1-NH2 3.28Å; Y635-R642 VanDerWaalsContact CE2-CZ 3.44Å; Y635-R642 VanDerWaalsContact CE2-NH1 3.3Å; Y635-R642 VanDerWaalsContact CZ-NH2 3.32Å; Y635-R642 PolarHBondContact O-NH2 2.81Å; Y635-R642 PolarHBondContact OH-NH1 3.26Å; Q638-R642 WeakPolarHBondContact O-CB 3.43Å; Q638-R642 VanDerWaalsContact O-CG 3.29Å; Q638-R642 WeakPolarHBondContact O-CG 3.03Å; Q638-R642 PolarHBondContact O-N 2.93Å; K639-R642 PolarHBondContact O-N 2.69Å; S640-R642 VanDerWaalsContact C-N 3.35Å; S640-R642 PolarHBondContact O-N 2.86Å; R642-R646 VanDerWaalsContact O-CB 3.27Å; R642-R646 WeakPolarHBondContact O-CB 3.33Å; R642-R646 WeakPolarHBondContact O-CD 3.28Å; R642-R646 WeakPolarHBondContact O-CG 3.41Å; R642-R646 PolarHBondContact O-N 3.31Å; R642-R646 VanDerWaalsContact O-N 3.09Å; R642-D652 IonicContact CZ-OD1 3.85Å; R642-D652 IonicContact CZ-OD2 3.18Å; R642-D652 VanDerWaalsContact CZ-OD2 3.3Å; R642-D652 IonicContact NH1-OD1 2.76Å; R642-D652 PolarHBondContact NH1-OD1 3.42Å; R642-D652 IonicContact NH1-OD2 2.74Å; R642-D652 PolarHBondContact NH1-OD2 2.94Å; R642-D652 IonicContact NH2-OD1 3.72Å; R642-D652 IonicContact NH2-OD2 3.65Å; R642-D652 PolarHBondContact NH2-OD2 2.92Å
643L75.5Confident75.7Confident48 Ų4891.8 Ų91.825%0.25148%0.484SS..Hα-helixtrans-64-43.7173-86.3154.7000112.1K639 S640 R646 G647 G648 D650K639-L643 HydrophobicContact CG-CD1 3.88Å; K639-L643 WeakPolarHBondContact O-CB 3.36Å; K639-L643 WeakPolarHBondContact O-CD1 3.2Å; K639-L643 WeakPolarHBondContact O-CG 3Å; K639-L643 PolarHBondContact O-N 3.33Å; S640-L643 WeakPolarHBondContact O-CB 3.5Å; S640-L643 PolarHBondContact O-N 2.81Å; L643-R646 CarbonylContact O-C 3.47Å; L643-R646 PolarHBondContact O-N 2.88Å; L643-G647 PolarHBondContact O-N 3.12Å; L643-G648 PolarHBondContact O-N 3.27Å; L643-D650 HydrophobicContact CD2-CB 3.84Å
644E77.6Confident74Confident153 Ų15393.1 Ų93.172%0.71549%0.494SS*.Hα-helixtrans-62.6-46.8176.5-75.6-179.6177.200111.9S640 L641 R646 G647S640-E644 WeakPolarHBondContact O-CG 3.47Å; S640-E644 PolarHBondContact O-N 2.7Å; L641-E644 PolarHBondContact O-N 2.96Å; E644-R646 PolarHBondContact O-N 3.13Å; E644-G647 PolarHBondContact O-N 3.42Å
645L76.7Confident72.3Confident141 Ų14195.9 Ų95.974%0.73851%0.509SS*.Hα-helixtrans-67.4-21.1178.9-70.2169.3000113.3L641L641-L645 HydrophobicContact CD2-CD1 4.29Å; L641-L645 HydrophobicContact CG-CD1 4.24Å; L641-L645 WeakPolarHBondContact O-CB 3.12Å; L641-L645 VanDerWaalsContact O-CG 3.29Å; L641-L645 WeakPolarHBondContact O-CG 3.47Å; L641-L645 PolarHBondContact O-N 3.02Å
646R74.9Confident70.6Confident127 Ų12793.7 Ų93.748%0.47951%0.51SS..THydrogen-bonded Turntrans-103.213.4179.9-66.3175.1-178.2-177.40113.5R642 L643 E644 G648 T651R642-R646 VanDerWaalsContact O-CB 3.27Å; R642-R646 WeakPolarHBondContact O-CB 3.33Å; R642-R646 WeakPolarHBondContact O-CD 3.28Å; R642-R646 WeakPolarHBondContact O-CG 3.41Å; R642-R646 PolarHBondContact O-N 3.31Å; R642-R646 VanDerWaalsContact O-N 3.09Å; L643-R646 CarbonylContact O-C 3.47Å; L643-R646 PolarHBondContact O-N 2.88Å; E644-R646 PolarHBondContact O-N 3.13Å; R646-G648 VanDerWaalsContact C-N 3.33Å; R646-G648 PolarHBondContact O-N 3.5Å; R646-T651 PolarHBondContact NH1-OG1 3.43Å
647G72.2Confident69.1Low72 Ų7292.1 Ų92.174%0.74251%0.506SS*.THydrogen-bonded Turntrans68.427.7174.800000114.6L643 E644L643-G647 PolarHBondContact O-N 3.12Å; E644-G647 PolarHBondContact O-N 3.42Å
648G65.3Low67.4Low57 Ų5790.5 Ų90.559%0.58851%0.506SS*.THydrogen-bonded Turntrans86.37.117500000115.8L643 R646L643-G648 PolarHBondContact O-N 3.27Å; R646-G648 VanDerWaalsContact C-N 3.33Å; R646-G648 PolarHBondContact O-N 3.5Å
649V65.1Low65.9Low95 Ų9593.7 Ų93.758%0.57653%0.526SS*.  trans-87.7115.9174.5-1760000109.8T651V649-T651 HydrophobicContact CG1-CG2 4.18Å; V649-T651 PolarHBondContact O-N 3.17Å
650D63.8Low64.5Low49 Ų4997 Ų9726%0.26255%0.546SS..  trans-82.399.4176-161.3-7.7000110.2K639 L643 D652K639-D650 WeakPolarHBondContact CE-OD1 3.48Å; K639-D650 WeakPolarHBondContact CE-OD2 3.41Å; K639-D650 IonicContact NZ-OD1 3.38Å; K639-D650 IonicContact NZ-OD2 3.99Å; K639-D650 PolarHBondContact NZ-OD2 3.48Å; L643-D650 HydrophobicContact CD2-CB 3.84Å; D650-D652 VanDerWaalsContact C-N 3.33Å; D650-D652 WeakPolarHBondContact OD1-CB 3.12Å; D650-D652 PolarHBondContact OD1-N 2.98Å
651T65.6Low62.9Low70 Ų70102.2 Ų102.243%0.42955%0.554SS.*  trans-89.63.9177.360.70000112.9R646 V649R646-T651 PolarHBondContact NH1-OG1 3.43Å; V649-T651 HydrophobicContact CG1-CG2 4.18Å; V649-T651 PolarHBondContact O-N 3.17Å
652D63.9Low61.5Low40 Ų40106.1 Ų106.121%0.21457%0.57CS.*  trans-86.5-12.1-178.6-74.4-9.6000112.8Y635 R642 D650Y635-D652 WeakPolarHBondContact CE1-OD2 3.5Å; Y635-D652 PolarHBondContact OH-OD1 2.96Å; R642-D652 IonicContact CZ-OD1 3.85Å; R642-D652 IonicContact CZ-OD2 3.18Å; R642-D652 VanDerWaalsContact CZ-OD2 3.3Å; R642-D652 IonicContact NH1-OD1 2.76Å; R642-D652 PolarHBondContact NH1-OD1 3.42Å; R642-D652 IonicContact NH1-OD2 2.74Å; R642-D652 PolarHBondContact NH1-OD2 2.94Å; R642-D652 IonicContact NH2-OD1 3.72Å; R642-D652 IonicContact NH2-OD2 3.65Å; R642-D652 PolarHBondContact NH2-OD2 2.92Å; D650-D652 VanDerWaalsContact C-N 3.33Å; D650-D652 WeakPolarHBondContact OD1-CB 3.12Å; D650-D652 PolarHBondContact OD1-N 2.98Å
653E57.5Low60.1Low130 Ų130112.6 Ų112.661%0.60760%0.602SS**SBendtrans-84.4116170.9-69.8-169.9169.600109.8D655 S656E653-D655 PolarHBondContact O-N 3.43Å; E653-S656 PolarHBondContact O-N 3.43Å; E653-S656 VanDerWaalsContact O-N 3.17Å; E653-S656 PolarHBondContact O-OG 3.27Å
654L53.6Low58.6Low147 Ų147118.1 Ų118.177%0.7763%0.626SS**THydrogen-bonded Turntrans-59.2-5-176.7-113101.9000115.1W661L654-W661 HydrophobicContact CD2-CZ2 4.42Å
655D50.6Low57.3Low149 Ų149115.9 Ų115.980%0.79762%0.623SS**THydrogen-bonded Turntrans-93.32.2178.4-102.6-7.5000113.7E653E653-D655 PolarHBondContact O-N 3.43Å
656S49.2Very low56Low64 Ų64114.8 Ų114.845%0.44862%0.617SS.*SBendtrans-92.43.5-175.557.60000115.7E653E653-S656 PolarHBondContact O-N 3.43Å; E653-S656 VanDerWaalsContact O-N 3.17Å; E653-S656 PolarHBondContact O-OG 3.27Å
657N51.8Low54.8Low91 Ų91117 Ų11749%0.48763%0.633SS.*  trans-157.977.5174.6-104.71.3000112.2D659 D660 W661N657-D659 VanDerWaalsContact C-N 3.27Å; N657-D660 HydrophobicContact CB-CB 4.48Å; N657-D660 PolarHBondContact ND2-OD2 2.88Å; N657-W661 PolarHBondContact O-NE1 3.25Å
658V50.3Low53.6Low110 Ų110121.8 Ų121.867%0.66763%0.634SS**SBendtrans-75.8-18.3170.3-175.40000111.4
659D52.6Low52.7Low159 Ų159127.1 Ų127.185%0.8564%0.641SS**THydrogen-bonded Turntrans-92.9-2.7-174.8-74.7-27.4000115.2N657N657-D659 VanDerWaalsContact C-N 3.27Å
660D49.3Very low52.8Low127 Ų127130 Ų13068%0.67965%0.652SS**THydrogen-bonded Turntrans-114.417.7-178.5-88.8-18.8000113.7N657 E662N657-D660 HydrophobicContact CB-CB 4.48Å; N657-D660 PolarHBondContact ND2-OD2 2.88Å; D660-E662 PolarHBondContact O-N 3.05Å
661W46.6Very low52.5Low184 Ų184135 Ų13570%0.69768%0.678SS**  trans-83.289.9171.5-73.878000110.4L654 N657L654-W661 HydrophobicContact CD2-CZ2 4.42Å; N657-W661 PolarHBondContact O-NE1 3.25Å
662E51.1Low52.4Low180 Ų180138.2 Ų138.284%0.84169%0.688SS**  trans-82.5106.1153.1-78.7-173161.200108.1D660 E664D660-E662 PolarHBondContact O-N 3.05Å; E662-E664 VanDerWaalsContact C-N 3.27Å; E662-E664 PolarHBondContact O-N 3.02Å
663E49.5Very low51.7Low172 Ų172144.6 Ų144.680%0.80472%0.717SS**  trans-62.889.2164.6-100.2-175.6157.500108.8T665E663-T665 VanDerWaalsContact C-N 3.3Å; E663-T665 PolarHBondContact O-N 2.81Å
664E43.8Very low52.1Low164 Ų164145 Ų14577%0.76672%0.721SS**  trans-69.894.8161.9-92.9-167.1158.100108.5E662 I666E662-E664 VanDerWaalsContact C-N 3.27Å; E662-E664 PolarHBondContact O-N 3.02Å; E664-I666 PolarHBondContact O-N 2.73Å
665T49.9Very low52.5Low106 Ų106144 Ų14465%0.6572%0.716SS**  trans-71.697.5167.1-470000107.2E663 E667E663-T665 VanDerWaalsContact C-N 3.3Å; E663-T665 PolarHBondContact O-N 2.81Å; T665-E667 HydrophobicContact CG2-CG 4.19Å; T665-E667 PolarHBondContact O-N 3.46Å
666I50.5Low53Low118 Ų118142.4 Ų142.461%0.60571%0.714SS**  trans-7891.9173.3-55.5173.9000107.7E664 F668E664-I666 PolarHBondContact O-N 2.73Å; I666-F668 HydrophobicContact CG2-CD2 4.32Å; I666-F668 HydrophobicContact CG2-CE1 4.49Å; I666-F668 HydrophobicContact CG2-CE2 3.86Å; I666-F668 HydrophobicContact CG2-CZ 3.96Å; I666-F668 PolarHBondContact O-N 2.78Å
667E48.5Very low53.3Low174 Ų174147.3 Ų147.381%0.81373%0.734SS**  trans-74.9113.8168.5-66.2-172163.100109.4T665T665-E667 HydrophobicContact CG2-CG 4.19Å; T665-E667 PolarHBondContact O-N 3.46Å
668F47.7Very low53.5Low172 Ų172146.2 Ų146.275%0.75474%0.744SS**  trans-78.3124.1170.5-70.9-87.8000109.3I666 I670I666-F668 HydrophobicContact CG2-CD2 4.32Å; I666-F668 HydrophobicContact CG2-CE1 4.49Å; I666-F668 HydrophobicContact CG2-CE2 3.86Å; I666-F668 HydrophobicContact CG2-CZ 3.96Å; I666-F668 PolarHBondContact O-N 2.78Å; F668-I670 PolarHBondContact O-N 2.89Å; F668-I670 VanDerWaalsContact O-N 3.1Å
669F46.6Very low53.5Low169 Ų169149.2 Ų149.274%0.74176%0.756SS**  trans-72.4101.4175.4-150.5-94.1000109.4E672F669-E672 HydrophobicContact CE1-CB 3.84Å; F669-E672 HydrophobicContact CE1-CG 4.29Å; F669-E672 HydrophobicContact CZ-CB 4.25Å; F669-E672 HydrophobicContact CZ-CG 4.19Å
670I67.3Low53Low156 Ų156153.2 Ų153.280%0.878%0.776SS**  trans-83.1-33.2-173.9-64.6170000111.8F668F668-I670 PolarHBondContact O-N 2.89Å; F668-I670 VanDerWaalsContact O-N 3.1Å
671N57.1Low53.1Low153 Ų153154.5 Ų154.582%0.81878%0.781SS**  trans-175149.6169.6-119.6-12.6000112.9
672E62.1Low53.5Low138 Ų138152.9 Ų152.965%0.64579%0.786SS**  trans-102.2128167-149.1174.9173.500109.8F669 I674F669-E672 HydrophobicContact CE1-CB 3.84Å; F669-E672 HydrophobicContact CE1-CG 4.29Å; F669-E672 HydrophobicContact CZ-CB 4.25Å; F669-E672 HydrophobicContact CZ-CG 4.19Å; E672-I674 HydrophobicContact CG-CG1 4.43Å
673E50.8Low53.6Low174 Ų174151.4 Ų151.481%0.81378%0.782SS**  trans-113.3102.7171.4-135.1-179.8-167.600109I675E673-I675 PolarHBondContact O-N 2.99Å
674I66.1Low53.9Low137 Ų137150.2 Ų150.270%0.70378%0.781SS**  trans-84.2107.5176.6-57.5172.3000108E672 P676E672-I674 HydrophobicContact CG-CG1 4.43Å; I674-P676 VanDerWaalsContact O-CD 3.29Å; I674-P676 WeakPolarHBondContact O-CD 3.12Å
675I60.8Low54.5Low128 Ų128149.4 Ų149.466%0.65678%0.782SS**  trans-96.7106.5171.9-55171.1000107.8E673 L677E673-I675 PolarHBondContact O-N 2.99Å; I675-L677 PolarHBondContact O-N 2.61Å; I675-L677 VanDerWaalsContact O-N 3.08Å
676P61.6Low54.8Low115 Ų115152.3 Ų152.375%0.74779%0.791SS**  trans-70.2106.8171.426.4-30000109.2I674 G678I674-P676 VanDerWaalsContact O-CD 3.29Å; I674-P676 WeakPolarHBondContact O-CD 3.12Å; P676-G678 PolarHBondContact O-N 2.78Å
677L56.2Low55.1Low167 Ų167154.7 Ų154.787%0.87480%0.804SS**  trans-72109.4162.8-81.3158000107.3I675I675-L677 PolarHBondContact O-N 2.61Å; I675-L677 VanDerWaalsContact O-N 3.08Å
678G55.4Low55.6Low68 Ų68153.2 Ų153.270%0.70180%0.803SS**  trans-59147173.500000111.6P676 L680P676-G678 PolarHBondContact O-N 2.78Å; G678-L680 PolarHBondContact O-N 3.02Å
679D50.3Low56.3Low172 Ų172151.7 Ų151.792%0.9281%0.808SS**  trans-51.1126.9175.6-72.6-42000111.3
680L41.1Very low57.1Low243 Ų243150.1 Ų150.1100%1.27281%0.814SS**  trans-61.20165.9-97.9155.3000112G678G678-L680 PolarHBondContact O-N 3.02Å

Retrieved 680 of 680 residues in 1130.3 ms (Link to these results)