A0A087Y224_POEFO Loading...

Otolin 1b

AlphaFold DB , UniProt , Accession A0A087Y224, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M47Very low51.5Low243 Ų243155.8 Ų155.8100%1.19778%0.781SS**  0105.30-82.8-179.9-110.900109.2
2R49.3Very low51.7Low249 Ų249147.4 Ų147.494%0.9475%0.754SS**  trans163.456159.1-95.1-179.4-175.8-173.13111.9
3I48.8Very low52.1Low168 Ų168144.1 Ų144.186%0.86275%0.745SS**SBendtrans-152.563.9161.1-47.8177.4000109.3
4I52.5Low52.3Low152 Ų152137.6 Ų137.678%0.77972%0.723SS**SBendtrans-136.6-8.5166.9-58.5-178.3000112.3
5S53.9Low52.6Low108 Ų108134.4 Ų134.476%0.75571%0.711SS**SBendtrans-89.4-3.1-173.1-165.20000116.9
6C49.4Very low52.7Low103 Ų103131.9 Ų131.970%0.69670%0.702SS**SBendtrans-100.2-10.7-173.3-119.60000115T9C6-T9 PolarHBondContact O-OG1 3.37Å
7Q51.2Low52.7Low161 Ų161128.1 Ų128.175%0.75269%0.688SS**Hα-helixtrans-89.4-23-178.3-101.2166-29.600113.8
8W49.3Very low52.5Low219 Ų219126.2 Ų126.283%0.8368%0.682SS**Hα-helixtrans-81.7-26.1179.8-84.359.7000113.7A12W8-A12 PolarHBondContact O-N 3.21Å
9T54.8Low52.2Low86 Ų86124.3 Ų124.353%0.52868%0.675SS.*Hα-helixtrans-75.4-32.7178.638.90000112.9C6 V13C6-T9 PolarHBondContact O-OG1 3.37Å; T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 3.33Å
10L53.8Low52Low130 Ų130123.6 Ų123.668%0.68168%0.675SS**Hα-helixtrans-73.3-33.7177.9-98.4151.7000113.2A14L10-A14 PolarHBondContact O-N 2.73Å
11V56.6Low51.9Low95 Ų95123 Ų12358%0.57668%0.675SS**Hα-helixtrans-71.9-36.2176.6178.30000111.3V13 A14 V15V11-V13 PolarHBondContact O-N 3.3Å; V11-A14 PolarHBondContact O-N 3.35Å; V11-V15 HydrophobicContact CG1-CG2 4.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 3.34Å; V11-V15 VanDerWaalsContact O-N 3.12Å
12A54.4Low51.6Low55 Ų55120 Ų12046%0.45566%0.655SS.*Hα-helixtrans-65.8-36.5177.700000113.1W8 V16W8-A12 PolarHBondContact O-N 3.21Å; A12-V16 WeakPolarHBondContact O-CG2 3.3Å; A12-V16 PolarHBondContact O-N 2.8Å
13V57Low51.6Low104 Ų104113.5 Ų113.563%0.6365%0.647SS**Hα-helixtrans-72.9-33.8178.7176.30000111.8T9 V11 S17T9-V13 WeakPolarHBondContact O-CG2 3.38Å; T9-V13 PolarHBondContact O-N 3.33Å; V11-V13 PolarHBondContact O-N 3.3Å; V13-S17 PolarHBondContact O-N 3.43Å; V13-S17 PolarHBondContact O-OG 2.84Å
14A54.5Low51.4Low54 Ų54111 Ų11145%0.44664%0.64SS.*Hα-helixtrans-71-36.3175.800000112.7L10 V11 S17 V18L10-A14 PolarHBondContact O-N 2.73Å; V11-A14 PolarHBondContact O-N 3.35Å; A14-S17 PolarHBondContact O-OG 3.45Å; A14-S17 VanDerWaalsContact O-OG 3.14Å; A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.03Å
15V55.9Low50.9Low89 Ų89114 Ų11454%0.53965%0.647SS.*Hα-helixtrans-72.5-39.2178.5175.50000111.6V11 V18 T19V11-V15 HydrophobicContact CG1-CG2 4.45Å; V11-V15 WeakPolarHBondContact O-CG2 3.39Å; V11-V15 PolarHBondContact O-N 3.34Å; V11-V15 VanDerWaalsContact O-N 3.12Å; V15-V18 PolarHBondContact O-N 3.39Å; V15-T19 PolarHBondContact O-N 3.16Å; V15-T19 PolarHBondContact O-OG1 2.86Å
16V54.3Low50.2Low94 Ų94115 Ų11557%0.5765%0.649SS**Hα-helixtrans-68.1-36.6179.2173.50000112.1A12 T19 V20A12-V16 WeakPolarHBondContact O-CG2 3.3Å; A12-V16 PolarHBondContact O-N 2.8Å; V16-T19 WeakPolarHBondContact CA-OG1 3.35Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.29Å; V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 2.79Å
17S52.5Low49.8Very low67 Ų67119.1 Ų119.147%0.46966%0.655SS.*Hα-helixtrans-71.5-32.6177.644.30000113.1V13 A14V13-S17 PolarHBondContact O-N 3.43Å; V13-S17 PolarHBondContact O-OG 2.84Å; A14-S17 PolarHBondContact O-OG 3.45Å; A14-S17 VanDerWaalsContact O-OG 3.14Å
18V49.8Very low49.2Very low95 Ų95117.7 Ų117.758%0.57666%0.66SS**Hα-helixtrans-74-31.2175.7174.20000112.3A14 V15A14-V18 VanDerWaalsContact O-CG2 3.29Å; A14-V18 WeakPolarHBondContact O-CG2 3.41Å; A14-V18 PolarHBondContact O-N 3.03Å; V15-V18 PolarHBondContact O-N 3.39Å
19T47.4Very low48.7Very low90 Ų90113.9 Ų113.955%0.55266%0.661SS**Hα-helixtrans-74.5-22.5175.738.40000115V15 V16V15-T19 PolarHBondContact O-N 3.16Å; V15-T19 PolarHBondContact O-OG1 2.86Å; V16-T19 WeakPolarHBondContact CA-OG1 3.35Å; V16-T19 PolarHBondContact O-N 2.88Å; V16-T19 PolarHBondContact O-OG1 3.29Å
20V48.5Very low48.2Very low109 Ų109114.2 Ų114.266%0.66167%0.673SS**Hα-helixtrans-82.3-21.7-179.9175.30000112.4V16V16-V20 WeakPolarHBondContact O-CG2 3.33Å; V16-V20 PolarHBondContact O-N 2.79Å
21V48.1Very low47.5Very low113 Ų113117.1 Ų117.169%0.68568%0.68SS**Hα-helixtrans-82.3-19-179.7178.40000113.1
22F42.4Very low46.6Very low179 Ų179117.5 Ų117.579%0.78568%0.684SS**THydrogen-bonded Turntrans-96.36.2-177.5-89.5-82.1000116.1
23C48.1Very low45.7Very low112 Ų112124.2 Ų124.276%0.75770%0.703SS**  trans-121.662179.1-93.20000112.8
24T43.9Very low44.6Very low117 Ų117129.3 Ų129.372%0.71871%0.712SS**  trans-12593.5154.452.10000109.4T26T24-T26 PolarHBondContact O-N 3.3Å; T24-T26 VanDerWaalsContact O-N 3.07Å
25K42.8Very low43.7Very low213 Ų213134 Ų13493%0.92673%0.729SS**  trans-65.5102.4165.1-82.3179.5175.4174.80108.1K27K25-K27 PolarHBondContact O-N 3.08Å
26T40.4Very low42.6Very low131 Ų131140.4 Ų140.480%0.80475%0.745SS**  trans-68.5113168.140.80000109T24T24-T26 PolarHBondContact O-N 3.3Å; T24-T26 VanDerWaalsContact O-N 3.07Å
27K40.9Very low41.7Very low188 Ų188140.9 Ų140.982%0.81775%0.749SS**  trans-68136.3167.5-71.4175.9177.7176.10108.4K25 T29K25-K27 PolarHBondContact O-N 3.08Å; K27-T29 PolarHBondContact O-N 2.79Å
28P37.2Very low41.1Very low132 Ų132147.5 Ų147.586%0.85777%0.769SS**  trans-70.111417227.2-30.2000109.2A30P28-A30 PolarHBondContact O-N 3.42Å
29T40.3Very low40.3Very low139 Ų139152 Ų15285%0.85378%0.781SS**PPolyproline II helixtrans-68.8125.5172.8-28.90000109K27K27-T29 PolarHBondContact O-N 2.79Å
30A43.3Very low39.6Very low93 Ų93153.6 Ų153.677%0.76979%0.792SS**PPolyproline II helixtrans-63.1138.3175.900000111.2P28P28-A30 PolarHBondContact O-N 3.42Å
31K39.7Very low38.9Very low191 Ų191154.6 Ų154.683%0.8380%0.798SS**PPolyproline II helixtrans-55.5140.3178.5-61.8177.6179-179.70111.7K33K31-K33 PolarHBondContact O-N 2.89Å
32P36.8Very low38.1Very low103 Ų103154.6 Ų154.667%0.66980%0.801SS**PPolyproline II helixtrans-69.3125.1160.428-29.6000109.3Y34P32-Y34 PolarHBondContact O-N 2.81Å
33K36.8Very low37.5Very low196 Ų196154.6 Ų154.685%0.85280%0.803SS**  trans-68.7115.6166.9-71.7178.7178.6178.20108K31 L35K31-K33 PolarHBondContact O-N 2.89Å; K33-L35 PolarHBondContact O-N 3.1Å
34Y32.6Very low36.7Very low211 Ų211155.8 Ų155.883%0.82781%0.807SS**  trans-75.9108.2165.6-76-84000108.7P32 Y36P32-Y34 PolarHBondContact O-N 2.81Å; Y34-Y36 PolarHBondContact O-N 2.72Å
35L36.6Very low35.9Very low151 Ų151155.1 Ų155.179%0.79180%0.803SS**  trans-76.8109.9160.5-107.193.1000107.8K33 T37K33-L35 PolarHBondContact O-N 3.1Å; L35-T37 PolarHBondContact O-N 2.8Å
36Y31.3Very low35.3Very low224 Ų224150.4 Ų150.488%0.87879%0.794SS**  trans-81.3103.2166.7-130.1-87.4000108.4Y34Y34-Y36 PolarHBondContact O-N 2.72Å
37T35.8Very low34.8Very low105 Ų105152.4 Ų152.464%0.64479%0.794SS**  trans-79.2121.116837.90000108.6L35 K39L35-T37 PolarHBondContact O-N 2.8Å; T37-K39 PolarHBondContact O-N 3.37Å
38K40.7Very low34.4Very low205 Ų205150.9 Ų150.989%0.89179%0.794SS**  trans-65.7112.3169.2-72.5-177.2177.7-1790108.2
39K32.7Very low34.2Very low191 Ų191150.6 Ų150.683%0.8379%0.793SS**PPolyproline II helixtrans-82.7138.4163.7-79.7-174.2177.7-178.90109.5T37T37-K39 PolarHBondContact O-N 3.37Å
40P32.4Very low33.6Very low122 Ų122150.6 Ų150.679%0.79279%0.792SS**PPolyproline II helixtrans-75.6152.2-174.929.1-32.4000112.9
41V33.4Very low33Very low130 Ų130152.1 Ų152.179%0.78879%0.792SS**PPolyproline II helixtrans-62.1132.8176.8-179.70000110.5Q43V41-Q43 PolarHBondContact O-N 3.4Å
42P31.5Very low32.4Very low114 Ų114149.6 Ų149.674%0.7479%0.793SS**PPolyproline II helixtrans-73.4117.8168.8-10.626.3000110.1
43Q30.4Very low32.1Very low179 Ų179149.2 Ų149.284%0.83679%0.792SS**PPolyproline II helixtrans-76.7124.1163-72.8-168.1-20.100108.8V41V41-Q43 PolarHBondContact O-N 3.4Å
44V30.4Very low31.7Very low137 Ų137146.3 Ų146.383%0.8379%0.791SS**  trans-98.3110.5170.2178.80000108.1
45T28.4Very low31.9Very low103 Ų103141.4 Ų141.463%0.63279%0.785SS**  trans-91135.3169.8-38.20000108.7
46P29.8Very low31.4Very low114 Ų114143.6 Ų143.674%0.7479%0.791SS**  trans-80.9124.2-178.730.3-31.2000111.2
47H30.7Very low31.1Very low172 Ų172138.6 Ų138.680%0.79678%0.784SS**  trans-119.5116.8166.1-91.3-68.6000110.3
48N31.1Very low30.6Very low156 Ų156140.6 Ų140.683%0.83479%0.79SS**PPolyproline II helixtrans-74138166.6-76.6-18.1000110.2
49P32.8Very low30Very low126 Ų126140 Ų14082%0.81879%0.787SS**PPolyproline II helixtrans-98.4126.5162.79.29.4000111.9
50V28.5Very low29.7Very low140 Ų140138.5 Ų138.585%0.84879%0.787SS**PPolyproline II helixtrans-78.8146.1167.8170.10000110.2
51T31.4Very low29.4Very low124 Ų124139.6 Ų139.676%0.76179%0.791SS**PPolyproline II helixtrans-62.5150.2-178.1-42.60000114.9
52T27.4Very low29.2Very low139 Ų139139.4 Ų139.485%0.85379%0.79SS**  trans-147.1123.6150-34.30000111.5
53S29.2Very low29.1Very low94 Ų94139.4 Ų139.466%0.65779%0.788SS**  trans-73.8163174.951.90000113.9
54V28.9Very low29.5Very low136 Ų136136.9 Ų136.982%0.82479%0.787SS**  -170.3174.5110.2-132.70000110.9
55P35.9Very low29.6Very low108 Ų108137.4 Ų137.470%0.70179%0.785SS**  -129178.4-11643.4-23.1000115.9
56Q27.5Very low30.2Very low197 Ų197138 Ų13892%0.92179%0.791SS**  trans-163.8157.5147.2-108.4169.420.200112.3
57T24.6Very low30.3Very low118 Ų118139 Ų13972%0.72480%0.795SS**  trans-116.3167.5-137.9-30.40000113.7
58L25.4Very low30.6Very low148 Ų148139.3 Ų139.378%0.77580%0.797SS**  trans93.3130159-58.3167.6000115.7
59K26.8Very low30.7Very low191 Ų191138 Ų13883%0.8380%0.796SS**  cis-159.3153.415.7-104.1163.8-174-174.80110.1
60I27.2Very low30.8Very low160 Ų160140.8 Ų140.882%0.82180%0.798SS**  trans-94.7140.2176.5-64.5166.1000110.7
61V26.5Very low31.3Very low145 Ų145140.2 Ų140.288%0.87980%0.798SS**  trans-144.1152.5152.3-178.50000109.6
62V27.9Very low31.4Very low127 Ų127143.4 Ų143.477%0.7780%0.804SS**  trans-83.5156.9-150.4175.80000116.7
63T30.2Very low32Very low114 Ų114142.5 Ų142.570%0.69980%0.801SS**  trans-61.8170175.3-10.90000115.7
64P38.9Very low32.8Very low126 Ų126143.7 Ų143.782%0.81881%0.806SS**  -146.7161.271.134.3-11.2000118.7
65N33.2Very low33.4Very low147 Ų147143 Ų14379%0.78680%0.804SS**  trans-52.5163.9174.6-94.3-6.2000115.9
66P40.8Very low33.7Very low117 Ų117144.3 Ų144.376%0.7681%0.813SS**  -161.6171.173.545.2-22.4000121.7
67V31.1Very low33.9Very low134 Ų134139.4 Ų139.481%0.81281%0.806SS**  trans85.4115.1151.7-164.90000121.5
68Q36.4Very low34.4Very low179 Ų179142.3 Ų142.384%0.83681%0.811SS**  trans-83.5160.1157.8-79.5-179.9-4500112.3
69P34.8Very low35.2Very low127 Ų127140.7 Ų140.783%0.82581%0.809SS**  trans-122151.5135.51.320000114.9
70Q34Very low35.3Very low185 Ų185137.6 Ų137.686%0.86481%0.807SS**PPolyproline II helixtrans-71.2163.2-173.4-79.2177.1-46.800116.7
71P38.2Very low35.3Very low129 Ų129134.3 Ų134.384%0.83880%0.804SS**PPolyproline II helixtrans-92155.5176.134.5-29.8000114.9
72Q34.7Very low35.4Very low191 Ų191134.4 Ų134.489%0.89380%0.804SS**PPolyproline II helixtrans-83.4157.5179.1-75.4-173.2-20.900114.3
73P40Very low35.3Very low120 Ų120138.6 Ų138.678%0.77981%0.806SS**PPolyproline II helixtrans-94.5166.2-164.736.6-35.1000116.5
74P45.2Very low35.1Very low119 Ų119139.8 Ų139.877%0.77381%0.813SS**PPolyproline II helixtrans-93.2166.7-177.737.6-34.2000114.3
75P42.5Very low34.6Very low121 Ų121138.7 Ų138.779%0.78680%0.804SS**PPolyproline II helixtrans-86.2159.1-18033.7-33000114.4
76P40.9Very low34.2Very low135 Ų135142.6 Ų142.688%0.87781%0.81SS**PPolyproline II helixtrans-91.8168.4-170.336.2-34.7000116
77A32.4Very low33.4Very low94 Ų94143 Ų14378%0.77781%0.809SS**PPolyproline II helixtrans-100.7157.1-164.400000117.6
78Q34.9Very low33.2Very low180 Ų180143.1 Ų143.184%0.84181%0.806SS**  trans1.1170.6157.9-48.7-175.1-2700123.5
79P43.3Very low32.8Very low113 Ų113142.1 Ų142.173%0.73480%0.801SS**  -153.1148.587.840-19.6000120.1
80T28Very low32.3Very low127 Ų127144 Ų14478%0.77980%0.804SS**  trans62.2128.7137.153.10000124.8
81A27.4Very low31.7Very low91 Ų91142.9 Ų142.975%0.75280%0.803SS**  -179.4121.1102.400000115.3
82V27.5Very low32Very low147 Ų147141.4 Ų141.489%0.89179%0.794SS**  trans61.7128.7134.5-163.60000123
83R27.1Very low31.6Very low215 Ų215139.8 Ų139.881%0.81179%0.786SS**  trans-74.2144179.3-175.7-169.8-158.4-177.65.4114.4
84T24.8Very low31Very low138 Ų138142.4 Ų142.485%0.84779%0.788SS**  trans-158.4132.9132.4-4.40000113.3
85T28.8Very low30Very low103 Ų103146.6 Ų146.663%0.63279%0.789SS**  trans-74.2154172.741.40000112.9
86Y24.6Very low29.3Very low230 Ų230146.8 Ų146.890%0.90279%0.793SS**  -163.5140.5129.4-91.1-68.3000111.5
87V25.1Very low28.7Very low124 Ų124148 Ų14875%0.75279%0.787SS**  trans-125.2127.9172.4172.50000106.2
88N26.1Very low28.5Very low137 Ų137150.8 Ų150.873%0.73379%0.789SS**  167.8155.2119.6-110.6-24.4000115.7
89H28.8Very low28.3Very low158 Ų158148.5 Ų148.573%0.73179%0.788SS**  trans-39.1153.1-179.7-62.6-49000122.2
90N23.8Very low27.6Very low167 Ų167151.3 Ų151.389%0.89379%0.791SS**  -174.9137112.4-89.1-20.8000114.5
91L22.4Very low27.6Very low162 Ų162151.2 Ų151.285%0.84879%0.792SS**  trans-82.4-171.1173.9-123.381.9000111.2
92P44.3Very low27.9Very low98 Ų98153.6 Ų153.664%0.63680%0.798SS**  cis-139.4-170.6-34.629.9-6.7000115.6
93Q26.3Very low28.2Very low157 Ų157149.9 Ų149.973%0.73479%0.789SS**  trans100.6127.4156.9-55.3-168.5-18.400116.3
94H26.2Very low28.8Very low175 Ų175146.7 Ų146.781%0.8179%0.793SS**  cis-144.1150.245-90-79.5000115.5
95Y25.7Very low29.3Very low207 Ų207142.8 Ų142.881%0.81278%0.781SS**  trans-76.2155.7168.6-89.3-102.5000113.3
96S27.1Very low30.1Very low124 Ų124143.4 Ų143.487%0.86779%0.787SS**  trans-152.1128.1131.4-71.90000109.7
97E27.9Very low30.9Very low160 Ų160139.3 Ų139.375%0.74878%0.78SS**  trans-66154.9-170.3-70.9160.1120.700114.8
98N28.3Very low31.3Very low153 Ų153140.2 Ų140.282%0.81878%0.781SS**  -169.8100.8114.6-85.6-21.9000111.5
99T31Very low32Very low132 Ų132145 Ų14581%0.8179%0.79SS**  trans52.5101.2141.8-28.30000120.5
100E27.4Very low32.3Very low173 Ų173142.6 Ų142.681%0.80879%0.787SS**PPolyproline II helixtrans-75.9150.9160.5-67.1-177.2155.100112.3
101P28.5Very low33.1Very low124 Ų124141.7 Ų141.781%0.80578%0.781SS**PPolyproline II helixtrans-93.1129.8138.37.811.2000109.8
102T33.3Very low33.8Very low142 Ų142140.3 Ų140.387%0.87178%0.775SS**SBendtrans-47.6127-178.7-6.90000114.8
103G35.2Very low33.7Very low68 Ų68144.4 Ų144.470%0.70178%0.779SS**  trans101.569.9142.700000117.5
104V39.5Very low34.5Very low148 Ų148143.1 Ų143.190%0.89778%0.777SS**  trans-138.995.4154.5-170.90000109
105G35.8Very low35.3Very low57 Ų57143 Ų14359%0.58878%0.777SS**  trans-74.9153.916000000110.1
106P44.3Very low35.8Very low116 Ų116137.5 Ų137.575%0.75377%0.767SS**SBendtrans-68.8146.1165.733-30.1000107.4
107D42.7Very low36.2Very low144 Ų144140.8 Ų140.877%0.7776%0.762SS**SBendtrans81.373.5177.1-43-33.6000115.4
108N33.1Very low36.7Very low142 Ų142141.6 Ų141.676%0.75976%0.763SS**  trans-17690.9140.7-96-28.3000110.9T110N108-T110 PolarHBondContact O-N 3.45Å
109Y39.8Very low37.1Very low239 Ų239140.4 Ų140.494%0.93776%0.757SS**  trans-91.260.7158.3-60.1-76.4000109.1L111Y109-L111 PolarHBondContact O-N 3.34Å
110T36.4Very low37.4Very low106 Ų106143.8 Ų143.865%0.6576%0.761SS**  trans-90.493.6167.3-46.70000106.2N108 D112N108-T110 PolarHBondContact O-N 3.45Å; T110-D112 PolarHBondContact O-N 3Å
111L39Very low37.9Very low148 Ų148139.5 Ų139.578%0.77575%0.749SS**  trans-65.1103.8164.6-75.9169.2000106.7Y109 Y113Y109-L111 PolarHBondContact O-N 3.34Å; L111-Y113 PolarHBondContact O-N 3.41Å
112D37.1Very low38.7Very low134 Ų134143.2 Ų143.272%0.71776%0.756SS**  trans-64.2101.3175-145.4-9.4000107.6T110 N114T110-D112 PolarHBondContact O-N 3Å; D112-N114 PolarHBondContact O-N 2.98Å
113Y44Very low39.3Very low184 Ų184141.6 Ų141.672%0.72275%0.749SS**G310 helixtrans-74.913.9-165.8-124.1-92.5000114.1L111L111-Y113 PolarHBondContact O-N 3.41Å
114N42.7Very low39.7Very low129 Ų129143 Ų14369%0.6975%0.746SS**G310 helixtrans-91.32.5-172.1-78.2-28.8000114.9D112D112-N114 PolarHBondContact O-N 2.98Å
115E42.1Very low40.3Very low174 Ų174141.4 Ų141.481%0.81374%0.74SS**G310 helixtrans-131.431.3-178.6-68-71.6157.800113.3
116C37.6Very low41Very low90 Ų90144.7 Ų144.761%0.60875%0.75SS**  trans-11270.7168.4-75.90000111F118C116-F118 VanDerWaalsContact C-N 3.35Å; C116-F118 HydrophobicContact CB-CD2 4.26Å; C116-F118 HydrophobicContact CB-CE2 4.13Å; C116-F118 PolarHBondContact O-N 3.14Å; C116-F118 VanDerWaalsContact O-N 3.13Å
117Y34.5Very low41.5Very low193 Ų193148.3 Ų148.376%0.75776%0.757SS**  trans-72.991.3157.8-88.2-89.2000108.7N119Y117-N119 PolarHBondContact O-N 2.97Å
118F37.6Very low42.2Very low177 Ų177153.2 Ų153.278%0.77677%0.765SS**  trans-72.978.1161.6-78.1-82.1000108.8C116 F120C116-F118 VanDerWaalsContact C-N 3.35Å; C116-F118 HydrophobicContact CB-CD2 4.26Å; C116-F118 HydrophobicContact CB-CE2 4.13Å; C116-F118 PolarHBondContact O-N 3.14Å; C116-F118 VanDerWaalsContact O-N 3.13Å; F118-F120 PolarHBondContact O-N 3.43Å
119N37.7Very low43.6Very low129 Ų129149.1 Ų149.169%0.6976%0.756SS**  trans-78.5103.7163.8-72.3-40.8000107.3Y117 C121Y117-N119 PolarHBondContact O-N 2.97Å; N119-C121 VanDerWaalsContact C-N 3.31Å; N119-C121 PolarHBondContact O-N 2.78Å
120F37.9Very low44.5Very low203 Ų203144 Ų14489%0.8975%0.752SS**  trans-66.297.7159.5-82.4-89.6000107.4F118F118-F120 PolarHBondContact O-N 3.43Å
121C36.3Very low45.8Very low82 Ų82150.2 Ų150.255%0.55476%0.764SS**  trans-94.6119.4165.5-163.10000107N119 C123 C124N119-C121 VanDerWaalsContact C-N 3.31Å; N119-C121 PolarHBondContact O-N 2.78Å; C121-C123 PolarHBondContact O-N 2.83Å; C121-C124 PolarHBondContact O-N 3.25Å
122E46.3Very low47.1Very low203 Ų203145.5 Ų145.595%0.94975%0.751SS**THydrogen-bonded Turntrans-668.2179.4-143.2170.8-169.900113.5
123C45.8Very low48.2Very low108 Ų108145.4 Ų145.473%0.7376%0.758SS**THydrogen-bonded Turntrans-112.46.2-175.2-620000114.5C121C121-C123 PolarHBondContact O-N 2.83Å
124C43.3Very low49.1Very low96 Ų96146 Ų14665%0.64976%0.764SS**SBendtrans-128.6119.2178.3-64.30000111.1C121C121-C124 PolarHBondContact O-N 3.25Å
125P51.5Low50Low116 Ų116143 Ų14375%0.75376%0.763SS**PPolyproline II helixtrans-61.7137.617225.4-30.6000109E127P125-E127 PolarHBondContact O-N 2.97Å; P125-E127 VanDerWaalsContact O-N 3.1Å
126P51.5Low51Low126 Ų126144 Ų14482%0.81877%0.768SS**PPolyproline II helixtrans-64117.6-178.724.6-31.6000109.1R128P126-R128 PolarHBondContact O-N 2.75Å; P126-R128 VanDerWaalsContact O-N 3.1Å
127E55.6Low52.3Low192 Ų192151.1 Ų151.190%0.89778%0.782SS**PPolyproline II helixtrans-58.8118.6168.8-77-170.5164.600108.2P125 G129P125-E127 PolarHBondContact O-N 2.97Å; P125-E127 VanDerWaalsContact O-N 3.1Å; E127-G129 PolarHBondContact O-N 2.83Å
128R56.4Low53.2Low247 Ų247145 Ų14593%0.93278%0.778SS**  trans-63.8109.7178.7-145.2180-158.3-169.96.5106.9P126P126-R128 PolarHBondContact O-N 2.75Å; P126-R128 VanDerWaalsContact O-N 3.1Å
129G61.7Low54.1Low56 Ų56142.2 Ų142.258%0.57778%0.78SS**PPolyproline II helixtrans-51.8151.9175.900000111.4E127 R131E127-G129 PolarHBondContact O-N 2.83Å; G129-R131 PolarHBondContact O-N 2.83Å
130P58.7Low55.3Low131 Ų131140.8 Ų140.885%0.85179%0.786SS**PPolyproline II helixtrans-54.3133.1-179.122.5-32.5000109.9G132P130-G132 PolarHBondContact O-N 2.92Å; P130-G132 VanDerWaalsContact O-N 3.1Å
131R64.9Low55.8Low236 Ų236134.5 Ų134.589%0.89178%0.779SS**PPolyproline II helixtrans-54.6120.6177.7-177.4179.2178.6176.81.9108.1G129G129-R131 PolarHBondContact O-N 2.83Å
132G65.3Low56.8Low49 Ų49138.6 Ų138.651%0.50579%0.794SS.*PPolyproline II helixtrans-53151.3178.300000111.7P130 K134P130-G132 PolarHBondContact O-N 2.92Å; P130-G132 VanDerWaalsContact O-N 3.1Å; G132-K134 PolarHBondContact O-N 2.68Å
133P61Low57.7Low132 Ų132134.5 Ų134.586%0.85779%0.785SS**PPolyproline II helixtrans-53.3136.8178.822.5-32.4000109.9G135P133-G135 PolarHBondContact O-N 2.96Å; P133-G135 VanDerWaalsContact O-N 3.12Å
134K63.2Low58.1Low198 Ų198132.8 Ų132.886%0.86179%0.786SS**PPolyproline II helixtrans-58.5119.7177.9-176.6178.7179.7178.40107.8G132 E136G132-K134 PolarHBondContact O-N 2.68Å; K134-E136 PolarHBondContact O-N 3.46Å
135G60.2Low58.8Low65 Ų65135.9 Ų135.967%0.6780%0.796SS**PPolyproline II helixtrans-51139.217900000111.3P133 R137P133-G135 PolarHBondContact O-N 2.96Å; P133-G135 VanDerWaalsContact O-N 3.12Å; G135-R137 PolarHBondContact O-N 3.24Å
136E63.1Low59.4Low194 Ų194138.5 Ų138.591%0.90780%0.802SS**PPolyproline II helixtrans-54.1137.4178.2-66.5-176.8166.100110.1K134 G138K134-E136 PolarHBondContact O-N 3.46Å; E136-G138 PolarHBondContact O-N 2.89Å; E136-G138 VanDerWaalsContact O-N 3.11Å
137R65.2Low59.5Low241 Ų241135.2 Ų135.291%0.90979%0.791SS**PPolyproline II helixtrans-61.7117.8177.1-179-175-67.5178.5-0.9107.3G135 S139G135-R137 PolarHBondContact O-N 3.24Å; R137-S139 PolarHBondContact O-N 3.18Å
138G54Low59.7Low65 Ų65132.4 Ų132.467%0.6779%0.789SS**PPolyproline II helixtrans-49.3140.7175.500000111E136E136-G138 PolarHBondContact O-N 2.89Å; E136-G138 VanDerWaalsContact O-N 3.11Å
139S56.6Low60.3Low118 Ų118125.5 Ų125.583%0.82579%0.785SS**PPolyproline II helixtrans-52.5142178.344.90000110.7R137 G141R137-S139 PolarHBondContact O-N 3.18Å; S139-G141 PolarHBondContact O-N 3.18Å
140A62.9Low60Low98 Ų98125.8 Ų125.881%0.8179%0.788SS**PPolyproline II helixtrans-57.1130.7176.200000109.3
141G48.8Very low60Low72 Ų72125.9 Ų125.974%0.74279%0.789SS**PPolyproline II helixtrans-56.7143.1175.900000110.5S139S139-G141 PolarHBondContact O-N 3.18Å
142L56.8Low60.2Low167 Ų167123.8 Ų123.887%0.87479%0.789SS**PPolyproline II helixtrans-56141.4175.4-69.4167.4000109.9G144L142-G144 PolarHBondContact O-N 2.79Å
143P66.1Low59.5Low117 Ų117124.4 Ų124.476%0.7680%0.796SS**PPolyproline II helixtrans-53.2131.9173-23.733.2000110.2
144G53.3Low59.3Low72 Ų72125.9 Ų125.974%0.74280%0.795SS**PPolyproline II helixtrans-62.4143.7178.500000111.5L142L142-G144 PolarHBondContact O-N 2.79Å
145D57.8Low59.8Low162 Ų162122 Ų12287%0.86679%0.79SS**PPolyproline II helixtrans-56.4139.3178.9-64.1-42000111.3G147D145-G147 PolarHBondContact O-N 2.8Å
146I64.6Low59.6Low171 Ų171122 Ų12288%0.87779%0.79SS**PPolyproline II helixtrans-61.7121.7177.3-61.6172.5000108.2
147G54.2Low59.6Low57 Ų57118.7 Ų118.759%0.58879%0.785SS**PPolyproline II helixtrans-59.2148178.200000112D145D145-G147 PolarHBondContact O-N 2.8Å
148P59.8Low59.9Low132 Ų132113.1 Ų113.186%0.85778%0.78SS**PPolyproline II helixtrans-60.3143.4179.525.3-33.5000111.1G150P148-G150 PolarHBondContact O-N 3.02Å
149A68.1Low60.1Low102 Ų102113.5 Ų113.584%0.84378%0.784SS**PPolyproline II helixtrans-56.4133.1175.600000110.4
150G55.4Low60Low63 Ų63116.1 Ų116.165%0.64979%0.787SS**PPolyproline II helixtrans-60.1148.3178.900000111.7P148P148-G150 PolarHBondContact O-N 3.02Å
151P58.1Low60Low133 Ų133117.1 Ų117.186%0.86479%0.788SS**PPolyproline II helixtrans-61.2140.3178.325.1-32.8000111G153P151-G153 PolarHBondContact O-N 2.81Å
152Q68.7Low60.3Low191 Ų191116.8 Ų116.889%0.89378%0.784SS**PPolyproline II helixtrans-59.6130.3176.7-172.7175.8-8.400110
153G51.9Low60.1Low63 Ų63115.2 Ų115.265%0.64978%0.784SS**PPolyproline II helixtrans-59138.5179.300000111.9P151P151-G153 PolarHBondContact O-N 2.81Å
154I56.6Low59.4Low162 Ų162118.4 Ų118.483%0.83179%0.791SS**PPolyproline II helixtrans-65.3131.2179.9-48.1170.5000108.5G156I154-G156 PolarHBondContact O-N 3.15Å
155P73.3Confident59Low117 Ų117118.3 Ų118.376%0.7679%0.79SS**PPolyproline II helixtrans-54.8135.5174-25.133.9000111.4
156G57.2Low58.4Low65 Ų65120.7 Ų120.767%0.6779%0.793SS**PPolyproline II helixtrans-60.3147.6178.400000111.9I154I154-G156 PolarHBondContact O-N 3.15Å
157P61.3Low57.4Low124 Ų124122.1 Ų122.181%0.80579%0.793SS**PPolyproline II helixtrans-62.2147.2179.124.6-32.3000111.4
158P73.1Confident57Low125 Ų125122.8 Ų122.881%0.81280%0.8SS**PPolyproline II helixtrans-56.1138.8175.3-22.131.7000111.7I160P158-I160 PolarHBondContact O-N 3.23Å
159G56.8Low56Low72 Ų72124.3 Ų124.374%0.74280%0.8SS**PPolyproline II helixtrans-59.9132177.800000112S161G159-S161 PolarHBondContact O-N 3.1Å
160I55.1Low54.9Low174 Ų174128.9 Ų128.989%0.89280%0.801SS**PPolyproline II helixtrans-56.3123.5171.435170.2000110.3P158P158-I160 PolarHBondContact O-N 3.23Å
161S63.5Low54.3Low119 Ų119129.1 Ų129.183%0.83280%0.804SS**PPolyproline II helixtrans-65.8131.7175.3-60.80000109.9G159G159-S161 PolarHBondContact O-N 3.1Å
162G54.2Low53.3Low64 Ų64130.4 Ų130.466%0.6680%0.803SS**PPolyproline II helixtrans-64.2152.7-179.200000112.8
163P53Low52.1Low134 Ų134129.6 Ų129.687%0.8780%0.797SS**PPolyproline II helixtrans-63.5136.6-178.824.7-31.9000111.8G165P163-G165 PolarHBondContact O-N 2.87Å
164M52.1Low51.7Low185 Ų185130.3 Ų130.391%0.91181%0.805SS**PPolyproline II helixtrans-56124.1177.4-176.5170.863.300111
165G45.1Very low50.8Low69 Ų69129.8 Ų129.871%0.71180%0.799SS**PPolyproline II helixtrans-68.2141.1-179.900000113P163P163-G165 PolarHBondContact O-N 2.87Å
166F43.6Very low49.3Very low212 Ų212134.3 Ų134.393%0.9380%0.801SS**PPolyproline II helixtrans-65137.5175.3-75.9-87.8000111.6G168F166-G168 PolarHBondContact O-N 2.8Å
167K44.3Very low48.4Very low202 Ų202135 Ų13588%0.87881%0.808SS**PPolyproline II helixtrans-62.3117.3179.3-174.9179.9180-176.30110.7
168G45Very low47.4Very low71 Ų71136 Ų13673%0.73280%0.802SS**PPolyproline II helixtrans-91.3140.9171.300000111.9F166F166-G168 PolarHBondContact O-N 2.8Å
169D40.2Very low46.7Very low163 Ų163135.6 Ų135.687%0.87280%0.799SS**PPolyproline II helixtrans-69.3157.9-178.4-73.7-47.7000114.3
170K44.8Very low45.9Very low199 Ų199136.1 Ų136.187%0.86580%0.804SS**PPolyproline II helixtrans-60.6137.6-172.3-167-179.5-175.6-174.90113.6
171G42.8Very low45.1Very low68 Ų68134 Ų13470%0.70180%0.799SS**  trans-147.1144166.400000111.1
172D37.5Very low44.6Very low159 Ų159133.9 Ų133.985%0.8580%0.799SS**  trans-76.9168.1-151.3-70.7-53.1000119
173K41.8Very low44.1Very low174 Ų174134.3 Ų134.376%0.75780%0.803SS**  trans-62.6139.9-173.7-155.2-170.8-167.1-151.90114.3E175K173-E175 IonicContact NZ-OE1 2.78Å; K173-E175 PolarHBondContact NZ-OE1 3.34Å
174G43.4Very low43.9Very low79 Ų79133.8 Ų133.881%0.81480%0.8SS**  trans-143.4129.6158.200000110.4
175E37.9Very low44.3Very low151 Ų151131.2 Ų131.271%0.70680%0.796SS**  trans-90.7137.4-164.7-71.2-178.1165.600115.4K173K173-E175 IonicContact NZ-OE1 2.78Å; K173-E175 PolarHBondContact NZ-OE1 3.34Å
176R43.2Very low44.1Very low212 Ų212131.3 Ų131.380%0.880%0.797SS**  trans48.9120.6136.3-165.9-178.3-74.5-173.44.6121.9H178R176-H178 VanDerWaalsContact CD-CD2 3.47Å; R176-H178 WeakPolarHBondContact CD-CD2 3.43Å; R176-H178 WeakPolarHBondContact CG-CD2 3.41Å; R176-H178 PolarHBondContact NE-NE2 3.4Å
177G38.7Very low44Very low80 Ų80128.8 Ų128.883%0.82579%0.792SS**  trans-140125.7132.300000109.9
178H40.2Very low44.7Very low145 Ų145125.3 Ų125.367%0.67179%0.79SS**  trans-100.2-174.6175-67.1-95.7000110.4R176R176-H178 VanDerWaalsContact CD-CD2 3.47Å; R176-H178 WeakPolarHBondContact CD-CD2 3.43Å; R176-H178 WeakPolarHBondContact CG-CD2 3.41Å; R176-H178 PolarHBondContact NE-NE2 3.4Å
179P57.2Low44.7Very low116 Ų116125.3 Ų125.375%0.75379%0.79SS**  -125.8160.1-8735.6-16.5000112.6
180G39.8Very low44.6Very low83 Ų83127.4 Ų127.486%0.85679%0.792SS**  trans-107.8131168.500000111.4
181T39.3Very low45.1Very low128 Ų128123.6 Ų123.679%0.78579%0.787SS**  trans-83.3133.8-158.743.80000117.4
182S52.1Low45.3Very low118 Ų118125.3 Ų125.383%0.82580%0.795SS**  trans26.1134.3135.9-38.10000123
183G43.8Very low45.4Very low72 Ų72127.5 Ų127.574%0.74280%0.8SS**  trans-132.2124.1143.200000110.4
184P49.2Very low45.3Very low124 Ų124128.9 Ų128.981%0.80581%0.806SS**  trans-83.5163.3-166.732.5-34.9000114.9
185P59.7Low45.3Very low130 Ų130128.6 Ų128.684%0.84480%0.803SS**  trans-90.4161.7-171.636.5-34000113.3
186G42.3Very low45.3Very low71 Ų71130.9 Ų130.973%0.73281%0.813SS**  trans164.6167.9145.500000116.1
187I41.4Very low44.8Very low160 Ų160125.8 Ų125.882%0.82182%0.817SS**  cis-158.4149.8-22.6-86.4153000103.3
188P59Low45.1Very low128 Ų128125.4 Ų125.483%0.83181%0.813SS**  trans-83.3161.1-174.4-10.228.7000116.7
189G44.9Very low45Very low72 Ų72127 Ų12774%0.74283%0.825SS**  trans129.9144157.800000114
190K38.2Very low44Very low206 Ų206131.2 Ų131.290%0.89683%0.832SS**  cis-162.3169.936.4-85.3-177.6179.6178.40112.7
191P54.9Low44.5Very low119 Ų119130.7 Ų130.777%0.77383%0.826SS**  trans-98.1156.8-169.326.5-11.9000116.8
192A47.5Very low44.3Very low104 Ų104134.6 Ų134.686%0.8684%0.835SS**  trans53.1134.1153.200000122.9
193Q39.3Very low43.9Very low206 Ų206139 Ų13996%0.96384%0.84SS**  trans-142.4142.4151.3-140174.720.900110.8
194K39.5Very low43.7Very low203 Ų203139.5 Ų139.588%0.88384%0.844SS**  trans-110.9138.9-168.5171.2-169.9-176.3-1750110.5
195G42.5Very low43.3Very low72 Ų72136.8 Ų136.874%0.74284%0.839SS**  trans53.4156.2152.600000118.9
196E38Very low42.2Very low199 Ų199138.1 Ų138.193%0.9385%0.845SS**  cis-166.9161.15.9-92.7-177.9156.900107.2
197A32.8Very low41.9Very low106 Ų106137.9 Ų137.988%0.87684%0.842SS**  trans151124.3134.100000111.1
198G45Very low42Very low72 Ų72140.9 Ų140.974%0.74285%0.849SS**  trans-101.2168.4178.300000113.9
199L37.7Very low40.9Very low177 Ų177144.6 Ų144.693%0.92786%0.856SS**  174.3140.1119-91.2172.4000112.9
200K37.7Very low40.6Very low206 Ų206144.4 Ų144.490%0.89685%0.854SS**  trans71.3127.1150.6-143.1172.5-176.4-177.80120
201G48.8Very low40.8Very low71 Ų71139.9 Ų139.973%0.73285%0.854SS**  trans-111.9-171.2-170.200000116.2
202E35.1Very low40Very low210 Ų210144.3 Ų144.398%0.98186%0.861SS**  trans-157.4161.5164.4-108.3176.7-175.400110.5
203K45.1Very low39.5Very low212 Ų212142.8 Ų142.892%0.92286%0.856SS**  trans-104.6145.8-157.3-176.5-175.3-176.5-177.20113.6
204G39.7Very low39.4Very low81 Ų81142.7 Ų142.784%0.83586%0.856SS**  trans97.2144.1156.600000114.7
205G40.3Very low39.5Very low67 Ų67142.4 Ų142.469%0.69186%0.857SS**  cis176.9167.2-200000108.5
206V35.8Very low39.2Very low159 Ų159142.6 Ų142.696%0.96486%0.859SS**  trans68.2134.1169.8-164.50000115.7
207G37.4Very low39.4Very low65 Ų65142.8 Ų142.867%0.6786%0.861SS**  cis-165169.23.400000110.6
208F42.1Very low39.7Very low223 Ų223147.7 Ų147.798%0.97886%0.862SS**  trans-88.5130.6176.2-77.2-86.5000111.2
209Q36.1Very low39.3Very low207 Ų207148 Ų14897%0.96787%0.865SS**  trans-154.2134.4162.6-167.6177.126.600107.3
210G39.9Very low39.5Very low68 Ų68147.4 Ų147.470%0.70186%0.862SS**  cis-161.3155.5-6.700000108.7
211A41.8Very low39.3Very low110 Ų110147 Ų14791%0.90986%0.863SS**  trans-72.2135.8172.700000110.3
212K37.6Very low38.7Very low212 Ų212146.6 Ų146.692%0.92286%0.859SS**  trans-98.5106.9178.3-175.8178.7178.5-1790110.3
213G37.6Very low39Very low73 Ų73146 Ų14675%0.75386%0.856SS**  trans67.6100.614300000119.8
214E38Very low38.8Very low203 Ų203144 Ų14495%0.94986%0.856SS**PPolyproline II helixtrans-84.7146154.4-73.7-174156.500111.1
215Q40.3Very low38.8Very low197 Ų197143.9 Ų143.992%0.92186%0.855SS**PPolyproline II helixtrans-82.7139.8-175.4-177.7172.63.300111.1
216G37.2Very low38.5Very low76 Ų76147.3 Ų147.378%0.78486%0.862SS**PPolyproline II helixtrans-65.9152.8-163.100000118.1
217E41.7Very low38.8Very low204 Ų204144.7 Ų144.795%0.95386%0.858SS**PPolyproline II helixtrans-68.4149.6177.8-66.6-179.1131.500113.7
218K39.5Very low38.8Very low209 Ų209145.5 Ų145.591%0.90987%0.865SS**  trans-12799.1170.3-169.6-178-172.2-175.10111
219G36.3Very low39Very low77 Ų77144.3 Ų144.379%0.79486%0.863SS**  trans56.3114.8139.200000121.7
220D42.7Very low38.9Very low165 Ų165144.6 Ų144.688%0.88286%0.861SS**  trans-83.4141.4170.8-70.7-41.5000115.4
221H33.4Very low38.8Very low198 Ų198144.4 Ų144.492%0.91786%0.859SS**  trans-170.8139.7137.2-125.963000109.6
222G35.7Very low38.8Very low62 Ų62148.3 Ų148.364%0.63986%0.859SS**  cis-156.8166.9600000112
223Q41.2Very low39.9Very low198 Ų198144.4 Ų144.493%0.92586%0.855SS**PPolyproline II helixtrans-61.3132.5-174.7-69.4167.3-21.600113.1
224N40.2Very low40.4Very low170 Ų170144.2 Ų144.291%0.90985%0.853SS**PPolyproline II helixtrans-102.6127.1153.9-96.2-11.8000108.9
225G39.2Very low40.8Very low79 Ų79141 Ų14181%0.81485%0.85SS**PPolyproline II helixtrans-63.8148.8-168.300000115
226T35.6Very low41.2Very low139 Ų139140.8 Ų140.885%0.85385%0.849SS**PPolyproline II helixtrans-76142.1173.344.10000113
227A41.3Very low41.6Very low104 Ų104140 Ų14086%0.8684%0.841SS**  trans58.1121.4145.200000121.1
228G37.2Very low41.7Very low81 Ų81136.8 Ų136.884%0.83584%0.837SS**  trans-138.9104141.100000109.5
229E46.5Very low42.1Very low198 Ų198133.5 Ų133.593%0.92583%0.834SS**  trans-88.5126.5159.8-77.5-171.8142.500108.6
230K35.1Very low42.5Very low214 Ų214132.8 Ų132.893%0.9383%0.827SS**  trans171141.7142.2-156.7162.5-172.41790109.4
231G35.9Very low42.7Very low64 Ų64130.9 Ų130.966%0.6682%0.824SS**  cis-158.3174.18.800000113.6
232E43.1Very low43.3Very low192 Ų192127.3 Ų127.390%0.89782%0.818SS**PPolyproline II helixtrans-67.6137.9179.2-62.9179.8146.700111.7
233P59.3Low43.7Very low130 Ų130128.4 Ų128.484%0.84483%0.83SS**PPolyproline II helixtrans-62.1132.7167-20.232.5000110.9
234G49.7Very low43.6Very low69 Ų69125.3 Ų125.371%0.71182%0.824SS**PPolyproline II helixtrans-65.3153.3177.200000112.9
235P46.6Very low43.5Very low136 Ų136121.7 Ų121.788%0.88382%0.818SS**PPolyproline II helixtrans-70.3157179.128.5-33.4000113.4
236E48.7Very low43.4Very low192 Ų192126.8 Ų126.890%0.89782%0.823SS**PPolyproline II helixtrans-58.5143.5-169.5-162.7174.2-166.600115.3
237G44.8Very low43.5Very low60 Ų60123.5 Ų123.562%0.61982%0.817SS**PPolyproline II helixtrans-85.1146.3172.200000112.3
238P44.3Very low43.3Very low135 Ų135128.3 Ų128.388%0.87782%0.821SS**PPolyproline II helixtrans-71.2149.9-17427.8-34.1000114.4
239V47.5Very low43.4Very low140 Ų140128 Ų12885%0.84882%0.819SS**PPolyproline II helixtrans-61.9132.3179.9172.20000112.4
240G45.1Very low43.5Very low62 Ų62124.7 Ų124.764%0.63981%0.814SS**PPolyproline II helixtrans-77.8141.9171.900000112.9
241P45.3Very low43.5Very low125 Ų125124.7 Ų124.781%0.81281%0.814SS**PPolyproline II helixtrans-75.4161.5-177.829.1-33.5000114.3
242P47.1Very low43.5Very low123 Ų123124.8 Ų124.880%0.79982%0.816SS**PPolyproline II helixtrans-76.7140.7-164.5-9.826.5000113.9
243G44.4Very low43.2Very low86 Ų86125 Ų12589%0.88782%0.816SS**PPolyproline II helixtrans-80.4120.9170.100000112.4
244T38.8Very low42.2Very low132 Ų132127 Ų12781%0.8181%0.812SS**PPolyproline II helixtrans-98.1155.2173.642.60000113
245A37.7Very low41.9Very low95 Ų95127.3 Ų127.379%0.78582%0.815SS**  trans89.6137.4156.200000115.7
246M37.8Very low41.4Very low185 Ų185127.4 Ų127.491%0.91181%0.808SS**  cis-150.7152.64-65.1-152.3-73.900106.5
247G37.8Very low41Very low70 Ų70126.2 Ų126.272%0.72280%0.8SS**  98.195.851.700000111.3
248Q36.1Very low40.7Very low205 Ų205127 Ų12796%0.95881%0.808SS**  trans175.4118144.4-101.41736.500115
249G38.7Very low40.4Very low76 Ų76126.1 Ų126.178%0.78480%0.796SS**  83.8149.1120.500000122.1
250P48.8Very low39.8Very low127 Ų127125.9 Ų125.983%0.82580%0.799SS**  trans-123.4166.8-142.539.6-23.7000118.1
251K35Very low39.4Very low214 Ų214126.5 Ų126.593%0.9381%0.805SS**  trans77.4132.3142.8-161.7179-178.2-174.40122.2
252G37.8Very low38.9Very low67 Ų67128.5 Ų128.569%0.69181%0.807SS**  trans145.6138.4147.900000110.7
253E35.4Very low38.5Very low195 Ų195132 Ų13291%0.91181%0.81SS**  cis-159.6165-3.7-105.7-176.1163.800107.3
254K39.8Very low38.3Very low174 Ų174131.5 Ų131.576%0.75781%0.806SS**  trans-81140179.9-174.7-171.4-177.1-1450110.9D256K254-D256 VanDerWaalsContact CE-OD1 3.22Å; K254-D256 WeakPolarHBondContact CE-OD1 3.26Å; K254-D256 IonicContact NZ-OD1 2.67Å; K254-D256 PolarHBondContact NZ-OD1 3.33Å; K254-D256 VanDerWaalsContact NZ-OD1 3.1Å; K254-D256 IonicContact NZ-OD2 2.65Å
255G43Very low38.5Very low75 Ų75133.9 Ų133.977%0.77381%0.808SS**  trans-136.3130.5164.800000110.7
256D35.5Very low38.4Very low137 Ų137141 Ų14173%0.73381%0.814SS**  trans-84.1171-168.1-76.2-46000115.2K254K254-D256 VanDerWaalsContact CE-OD1 3.22Å; K254-D256 WeakPolarHBondContact CE-OD1 3.26Å; K254-D256 IonicContact NZ-OD1 2.67Å; K254-D256 PolarHBondContact NZ-OD1 3.33Å; K254-D256 VanDerWaalsContact NZ-OD1 3.1Å; K254-D256 IonicContact NZ-OD2 2.65Å
257K40.6Very low38.6Very low168 Ų168135.3 Ų135.373%0.7380%0.803SS**  trans-45.9151.1-171.3-152.5-175-167-145.70119.6D259K257-D259 VanDerWaalsContact CE-OD1 3.26Å; K257-D259 WeakPolarHBondContact CE-OD1 3.34Å; K257-D259 WeakPolarHBondContact CE-OD2 3.37Å; K257-D259 IonicContact NZ-OD1 2.75Å; K257-D259 PolarHBondContact NZ-OD1 3.4Å; K257-D259 IonicContact NZ-OD2 3.01Å; K257-D259 PolarHBondContact NZ-OD2 3.32Å
258G39.3Very low38.6Very low76 Ų76138.3 Ų138.378%0.78481%0.81SS**  trans-147.9113151.100000111.9
259D37.7Very low38.9Very low117 Ų117138 Ų13863%0.62681%0.805SS**  trans-70.6159163.6-56.7-51000108.3K257K257-D259 VanDerWaalsContact CE-OD1 3.26Å; K257-D259 WeakPolarHBondContact CE-OD1 3.34Å; K257-D259 WeakPolarHBondContact CE-OD2 3.37Å; K257-D259 IonicContact NZ-OD1 2.75Å; K257-D259 PolarHBondContact NZ-OD1 3.4Å; K257-D259 IonicContact NZ-OD2 3.01Å; K257-D259 PolarHBondContact NZ-OD2 3.32Å
260C33.7Very low39.2Very low134 Ų134137.8 Ų137.891%0.90580%0.803SS**  cis-170.4157.231.9-1240000108.4
261G37.2Very low38.9Very low76 Ų76139.6 Ų139.678%0.78481%0.806SS**  trans177.8126.2167.100000113.6
262I34.1Very low39.2Very low166 Ų166141 Ų14185%0.85181%0.806SS**  trans-88152.8-154-69.8167.9000115
263F40.3Very low39.5Very low196 Ų196141.1 Ų141.186%0.8681%0.807SS**  trans-7.7140162-92.4-100.6000120.6
264G38.3Very low39.8Very low77 Ų77141.2 Ų141.279%0.79481%0.807SS**  trans-149.2117.2150.400000111
265E44.7Very low40.1Very low181 Ų181139.7 Ų139.785%0.84681%0.813SS**  trans-75168.6174.8-76.9-171.2136.200113.9
266R35.1Very low40.2Very low244 Ų244139.4 Ų139.492%0.92181%0.81SS**  trans112.2117.7157.5-160.4179.6-66.8-171.8-0.3112.1
267G40.9Very low41Very low67 Ų67137.4 Ų137.469%0.69181%0.812SS**  93.6149.856.500000108.4
268P38.6Very low41.8Very low133 Ų133135.4 Ų135.486%0.86482%0.817SS**  cis-132.9-173.81637.8-16.3000114.7
269K43.1Very low42.1Very low197 Ų197135.6 Ų135.686%0.85782%0.819SS**PPolyproline II helixtrans-66.1137177.9-174.6177.6-178.4177.90111.7
270G44.6Very low42.6Very low72 Ų72138.5 Ų138.574%0.74283%0.832SS**PPolyproline II helixtrans-60.4145.8-174.700000115.3
271D41.6Very low43.2Very low166 Ų166141.1 Ų141.189%0.88883%0.831SS**PPolyproline II helixtrans-69.5150.7-175.1-67.1-46.9000113.8
272R42.8Very low43.5Very low244 Ų244140.9 Ų140.992%0.92183%0.829SS**PPolyproline II helixtrans-75.8131.9176.2-175.7178.7-178.6173.40.1109.5
273G42.8Very low44Very low69 Ų69138.1 Ų138.171%0.71183%0.831SS**PPolyproline II helixtrans-54.9142-178.500000114.2
274E41.8Very low44.5Very low197 Ų197137.6 Ų137.692%0.92183%0.833SS**PPolyproline II helixtrans-65.3147.7-177.2-65.8-177154.600113
275T46.7Very low44.6Very low141 Ų141137.1 Ų137.187%0.86583%0.828SS**PPolyproline II helixtrans-80.6131.4175.9-54.80000109.4
276G44.7Very low44.6Very low69 Ų69136.5 Ų136.571%0.71183%0.829SS**PPolyproline II helixtrans-57.8143.9-178.300000113.7
277A51.7Low45.4Very low95 Ų95130.6 Ų130.679%0.78582%0.822SS**PPolyproline II helixtrans-63.8147.2-175.500000113.4
278P58.2Low45.3Very low127 Ų127131.3 Ų131.383%0.82583%0.83SS**PPolyproline II helixtrans-63.7146.4172.9-17.530000112.4
279G45.8Very low45.6Very low80 Ų80133.1 Ų133.183%0.82583%0.831SS**PPolyproline II helixtrans-62138.8177.800000113.4
280I47.2Very low45.4Very low177 Ų177133.3 Ų133.391%0.90884%0.835SS**PPolyproline II helixtrans-64.7135.4178.637.3171.1000113.1
281Q46.8Very low45.2Very low190 Ų190133.2 Ų133.289%0.88883%0.833SS**PPolyproline II helixtrans-73.8135.7174.6-177175.2-26.300110.9
282G44.3Very low45.3Very low71 Ų71134.2 Ų134.273%0.73283%0.83SS**PPolyproline II helixtrans-63.1141.8-17700000114
283A45.2Very low45.1Very low108 Ų108131.8 Ų131.889%0.89383%0.829SS**PPolyproline II helixtrans-70.8141-17600000113.5
284M49.7Very low44.9Very low184 Ų184132.1 Ų132.191%0.90683%0.832SS**PPolyproline II helixtrans-81.2141.2171.8-176.8168.755.300110.4
285G40.8Very low44.9Very low67 Ų67129.3 Ų129.369%0.69183%0.828SS**PPolyproline II helixtrans-65.7151.5-17300000115.3P287G285-P287 WeakPolarHBondContact O-CD 3.38Å
286I45.3Very low44.9Very low168 Ų168128.8 Ų128.886%0.86283%0.827SS**PPolyproline II helixtrans-80.3128-171.6-55166.5000111.7
287P50Low44.7Very low121 Ų121128.8 Ų128.879%0.78683%0.828SS**PPolyproline II helixtrans-85.9145.6160.4-1230.1000112.5G285G285-P287 WeakPolarHBondContact O-CD 3.38Å
288G39.7Very low44.9Very low82 Ų82130.2 Ų130.285%0.84583%0.829SS**PPolyproline II helixtrans-73.7163.8-161.500000119
289L45.9Very low44.3Very low171 Ų171131.1 Ų131.190%0.89583%0.832SS**PPolyproline II helixtrans-77.9136.1-176.2-75.5149.3000114.8
290H38.6Very low44.3Very low201 Ų201130.8 Ų130.893%0.93183%0.829SS**  trans-180147.3137.6-107.470.1000108.4
291G40.9Very low44.1Very low69 Ų69130.3 Ų130.371%0.71183%0.826SS**  cis-159.1169.32.300000109.8
292K42.1Very low43.9Very low188 Ų188132.8 Ų132.882%0.81783%0.827SS**  trans-85.3165.6-170.8-66.3178.5176.2179.40113.5
293H39.5Very low43.9Very low193 Ų193132.7 Ų132.789%0.89483%0.826SS**  trans101.4131.5163.6-54.5-63.7000115.5
294G37.7Very low43.9Very low76 Ų76134.7 Ų134.778%0.78482%0.822SS**  cis-160.4170.53.800000112.6
295T42.1Very low43.8Very low137 Ų137132.4 Ų132.484%0.8482%0.821SS**  trans-94.4172.7164.253.60000108.5
296P47.9Very low43.8Very low130 Ų130132.4 Ų132.484%0.84482%0.821SS**  cis-138.3-178.3-4.634.1-12.2000115.1
297G40.3Very low44.1Very low70 Ų70133.7 Ų133.772%0.72282%0.823SS**  trans159.6125.3155.600000116.5
298P54.4Low44Very low124 Ų124134.1 Ų134.181%0.80583%0.825SS**  trans-97.3156.1-163.937.4-34.3000116.8
299V47.2Very low44.1Very low146 Ų146133 Ų13389%0.88582%0.815SS**  trans40.8128.2151.1-172.10000120.8
300G44.3Very low44.7Very low74 Ų74131.2 Ų131.276%0.76381%0.813SS**  trans-173.2138.5155.400000113.1
301I42.9Very low45.2Very low166 Ų166127.8 Ų127.885%0.85181%0.809SS**  trans-101.2144.4-162.21.4174.1000112
302R43.8Very low45.3Very low243 Ų243127.6 Ų127.692%0.91781%0.806SS**  trans33.6131.1150.8-162.4178.7-168.4-176.43.6121.2
303G43.2Very low45.8Very low69 Ų69128.3 Ų128.371%0.71181%0.812SS**  trans161.7105.5144.200000114.4
304D45.2Very low46.3Very low150 Ų150125 Ų12580%0.80281%0.808SS**  trans-58.3166.5160.1-51.9-58.2000109.8
305P48.1Very low46.7Very low136 Ų136124.7 Ų124.788%0.88381%0.805SS**  cis-152.6-175.326.936.4-11.6000116.8
306G40.7Very low47.2Very low67 Ų67125.3 Ų125.369%0.69181%0.809SS**  trans137.696.6144.800000117
307H51.6Low47.4Very low195 Ų195124.4 Ų124.490%0.90381%0.805SS**  trans-72.6136168.1-55.9-74.6000111.3
308P48.2Very low48.1Very low129 Ų129124 Ų12484%0.83880%0.801SS**  -152156121.627.3-7.2000112.5
309G42.3Very low48.3Very low60 Ų60124.4 Ų124.462%0.61980%0.804SS**  cis-173.2162-0.300000106.7
310P57.2Low48.7Very low132 Ų132126.4 Ų126.486%0.85780%0.804SS**  trans-84.3129-170.133.9-30.8000110.1
311P49.3Very low49.4Very low130 Ų130125.7 Ų125.784%0.84480%0.796SS**  -156.8156.1120.831.2-11000113.1
312G44Very low50Low64 Ų64124.1 Ų124.166%0.6680%0.796SS**  cis-164.6161.6-1.800000106.5P314G312-P314 VanDerWaalsContact O-CD 3.23Å; G312-P314 WeakPolarHBondContact O-CD 3.35Å
313E51.7Low50.6Low203 Ų203121.3 Ų121.395%0.94979%0.794SS**  trans-79.1130.5-176.3-65.8-179161.500112.1
314P50.7Low51.2Low123 Ų123121.2 Ų121.280%0.79979%0.793SS**  trans-122.3123.3158.64.919.8000112.1G312G312-P314 VanDerWaalsContact O-CD 3.23Å; G312-P314 WeakPolarHBondContact O-CD 3.35Å
315G46.8Very low51.6Low70 Ų70122.2 Ų122.272%0.72280%0.797SS**  trans80.797.4144.600000117.8S317G315-S317 PolarHBondContact O-N 2.89Å
316V51.2Low52Low151 Ų151126.9 Ų126.992%0.91580%0.797SS**  trans-61.5106.4166.7-159.30000109.2
317S51.9Low52.7Low111 Ų111126.8 Ų126.878%0.77680%0.796SS**PPolyproline II helixtrans-72.4128.9164.5-68.30000108.4G315G315-S317 PolarHBondContact O-N 2.89Å
318G55.8Low52.8Low62 Ų62125.9 Ų125.964%0.63979%0.794SS**PPolyproline II helixtrans-55.1147.7-179.300000111.9Q320G318-Q320 PolarHBondContact O-N 3.09Å
319P57.8Low53.6Low132 Ų132125.6 Ų125.686%0.85779%0.792SS**PPolyproline II helixtrans-59.1126.7-175.523.8-32.5000110.3G321P319-G321 PolarHBondContact O-N 3.38Å
320Q57.2Low54.7Low188 Ų188125.8 Ų125.888%0.87979%0.793SS**PPolyproline II helixtrans-54.5127.4167-174.9175.1-1.300108.3G318G318-Q320 PolarHBondContact O-N 3.09Å
321G58.2Low55Low59 Ų59125.6 Ų125.661%0.60879%0.793SS**PPolyproline II helixtrans-53.1143177.900000110.8P319 Q323P319-G321 PolarHBondContact O-N 3.38Å; G321-Q323 PolarHBondContact O-N 2.81Å
322P55.6Low55.7Low132 Ų132128.9 Ų128.986%0.85779%0.793SS**PPolyproline II helixtrans-56.3128.1-173.121.9-32000110.3G324P322-G324 PolarHBondContact O-N 3.46Å
323Q56.2Low56.5Low185 Ų185129 Ų12986%0.86479%0.794SS**PPolyproline II helixtrans-55.9122.6174.4-170176.6-100108.5G321 I325G321-Q323 PolarHBondContact O-N 2.81Å; Q323-I325 PolarHBondContact O-N 3.46Å
324G54.8Low57.1Low67 Ų67127 Ų12769%0.69179%0.79SS**PPolyproline II helixtrans-51.5126.3178.200000110.4P322 R326P322-G324 PolarHBondContact O-N 3.46Å; G324-R326 PolarHBondContact O-N 3.45Å
325I53.9Low57.6Low171 Ų171132.6 Ų132.688%0.87780%0.796SS**  trans-59.4112.7-176.9-32.7173.1000107.5Q323 G327Q323-I325 PolarHBondContact O-N 3.46Å; I325-G327 PolarHBondContact O-N 3.19Å; I325-G327 VanDerWaalsContact O-N 3.11Å
326R56.7Low58.1Low234 Ų234132.4 Ų132.488%0.88379%0.793SS**PPolyproline II helixtrans-61.4116.9172.6-174.3175.8-177.5176.91107G324 M328G324-R326 PolarHBondContact O-N 3.45Å; R326-M328 PolarHBondContact O-N 2.86Å
327G55.8Low58.6Low65 Ų65135.9 Ų135.967%0.6779%0.791SS**PPolyproline II helixtrans-49.5128.8179.500000110.5I325I325-G327 PolarHBondContact O-N 3.19Å; I325-G327 VanDerWaalsContact O-N 3.11Å
328M54Low59.2Low176 Ų176136.1 Ų136.187%0.86779%0.791SS**PPolyproline II helixtrans-55.5133.1178.8-74.4-176.257.900109.4R326 G330R326-M328 PolarHBondContact O-N 2.86Å; M328-G330 PolarHBondContact O-N 2.86Å
329P65.5Low59.2Low123 Ų123136.8 Ų136.880%0.79980%0.797SS**PPolyproline II helixtrans-52.6129.4169.2-23.433000109.2
330G64.8Low59.4Low63 Ų63137.5 Ų137.565%0.64980%0.799SS**PPolyproline II helixtrans-54.1143.9177.900000110.7M328 K332M328-G330 PolarHBondContact O-N 2.86Å; G330-K332 PolarHBondContact O-N 2.85Å
331P62.7Low59.7Low129 Ų129139.7 Ų139.784%0.83880%0.799SS**PPolyproline II helixtrans-55.5130.5-178.222.9-32.2000109.5G333P331-G333 PolarHBondContact O-N 2.67Å; P331-G333 VanDerWaalsContact O-N 3.14Å
332K64.6Low59.7Low198 Ų198140.1 Ų140.186%0.86180%0.804SS**PPolyproline II helixtrans-57.9119.1176.2-174.7177.6-177.9177.70107.5G330 D334G330-K332 PolarHBondContact O-N 2.85Å; K332-D334 PolarHBondContact O-N 2.81Å
333G61.7Low60.2Low66 Ų66142 Ų14268%0.6880%0.801SS**PPolyproline II helixtrans-52.7134.3-179.400000111.2P331 R335P331-G333 PolarHBondContact O-N 2.67Å; P331-G333 VanDerWaalsContact O-N 3.14Å; G333-R335 PolarHBondContact O-N 3.16Å
334D62.6Low60.7Low161 Ų161144.7 Ų144.786%0.86180%0.803SS**PPolyproline II helixtrans-56.2135-177.6-69.4-41.4000110.6K332 G336K332-D334 PolarHBondContact O-N 2.81Å; D334-G336 PolarHBondContact O-N 3.41Å; D334-G336 VanDerWaalsContact O-N 3.14Å
335R61.5Low60.9Low242 Ų242144.5 Ų144.591%0.91380%0.802SS**PPolyproline II helixtrans-61.5119177.5-170.1177.5-173.81721.5107.7G333 Y337G333-R335 PolarHBondContact O-N 3.16Å; R335-Y337 PolarHBondContact O-N 2.93Å
336G57.3Low61.4Low65 Ų65145.5 Ų145.567%0.6780%0.8SS**PPolyproline II helixtrans-49.7135.7178.500000111.4D334D334-G336 PolarHBondContact O-N 3.41Å; D334-G336 VanDerWaalsContact O-N 3.14Å
337Y61.8Low61.8Low224 Ų224145.9 Ų145.988%0.87880%0.801SS**PPolyproline II helixtrans-53.2138.8-177.3-68.6-80.7000111R335 G339R335-Y337 PolarHBondContact O-N 2.93Å; Y337-G339 PolarHBondContact O-N 2.88Å
338P64.1Low61.9Low117 Ų117145.8 Ų145.876%0.7680%0.8SS**PPolyproline II helixtrans-53.7129.7172.9-22.131.7000109.8V340P338-V340 PolarHBondContact O-N 2.98Å
339G55.6Low62.5Low76 Ų76145.7 Ų145.778%0.78480%0.802SS**PPolyproline II helixtrans-52.9128.7177.900000110.3Y337 R341Y337-G339 PolarHBondContact O-N 2.88Å; G339-R341 PolarHBondContact O-N 3.11Å; G339-R341 VanDerWaalsContact O-N 3.13Å
340V63.5Low62.6Low146 Ų146149.5 Ų149.589%0.88581%0.806SS**PPolyproline II helixtrans-57.6120.5180-170.10000107.7P338 G342P338-V340 PolarHBondContact O-N 2.98Å; V340-G342 PolarHBondContact O-N 2.86Å
341R63.5Low62.4Low235 Ų235149.5 Ų149.589%0.88781%0.806SS**PPolyproline II helixtrans-58.1116.9176.9-171.3-179.4-158.11747.2107.4G339 E343G339-R341 PolarHBondContact O-N 3.11Å; G339-R341 VanDerWaalsContact O-N 3.13Å; R341-E343 PolarHBondContact O-N 2.9Å
342G58Low62.4Low68 Ų68147.9 Ų147.970%0.70180%0.804SS**PPolyproline II helixtrans-48.9131.3179.600000110.3V340 R344V340-G342 PolarHBondContact O-N 2.86Å; G342-R344 PolarHBondContact O-N 2.93Å
343E66.3Low62.4Low172 Ų172148.3 Ų148.380%0.80481%0.806SS**PPolyproline II helixtrans-53.3135-179.9-67.8-172.7162.500109.3R341 G345R341-E343 PolarHBondContact O-N 2.9Å; E343-G345 PolarHBondContact O-N 2.92Å
344R66.5Low62.3Low240 Ų240148.7 Ų148.791%0.90681%0.81SS**  trans-56.6115.9174.9-175.5-171.4-61.9-165.11.1106.5G342 F346G342-R344 PolarHBondContact O-N 2.93Å; R344-F346 PolarHBondContact O-N 3.25Å
345G57.7Low62.1Low64 Ų64146.9 Ų146.966%0.6681%0.809SS**PPolyproline II helixtrans-46.1134.1-179.700000110.5E343 R347E343-G345 PolarHBondContact O-N 2.92Å; G345-R347 PolarHBondContact O-N 3.39Å
346F65.2Low62.1Low191 Ų191138.9 Ų138.984%0.83880%0.802SS**PPolyproline II helixtrans-48.5131.2-179.6-68.5-82000109.1R344 G348R344-F346 PolarHBondContact O-N 3.25Å; F346-G348 PolarHBondContact O-N 2.98Å
347R65.8Low62.2Low243 Ų243144.5 Ų144.592%0.91781%0.813SS**PPolyproline II helixtrans-51.4121168.3177.8-177.5-82-150.3-2.9105.8G345 L349G345-R347 PolarHBondContact O-N 3.39Å; R347-L349 PolarHBondContact O-N 3.1Å
348G57.9Low62.6Low63 Ų63141.7 Ų141.765%0.64981%0.812SS**  trans-45.9133.2-179.100000109.6F346 K350F346-G348 PolarHBondContact O-N 2.98Å; G348-K350 PolarHBondContact O-N 3.12Å; G348-K350 VanDerWaalsContact O-N 3.16Å
349L66.4Low63.3Low173 Ų173142.7 Ų142.791%0.90681%0.807SS**PPolyproline II helixtrans-47.5128.3176.4-74.7163000107.6R347 G351R347-L349 PolarHBondContact O-N 3.1Å; L349-G351 PolarHBondContact O-N 3.15Å
350K67Low65Low204 Ų204143.6 Ų143.689%0.88779%0.789SS**PPolyproline II helixtrans-48.6120.3170.6-178177.4-178.5176.90105.7G348 A352G348-K350 PolarHBondContact O-N 3.12Å; G348-K350 VanDerWaalsContact O-N 3.16Å; K350-A352 PolarHBondContact O-N 3.4Å
351G60.1Low66.5Low62 Ų62143.4 Ų143.464%0.63977%0.772SS**PPolyproline II helixtrans-46.1137.9-176.800000109.5L349 K353L349-G351 PolarHBondContact O-N 3.15Å; G351-K353 PolarHBondContact O-N 3.22Å
352A62.9Low68.1Low96 Ų96132.3 Ų132.379%0.79373%0.731SS**PPolyproline II helixtrans-47.3137.6175.100000108.5K350 G354K350-A352 PolarHBondContact O-N 3.4Å; A352-G354 PolarHBondContact O-N 3.01Å
353K64.4Low70Confident207 Ų207130.2 Ų130.290%0.971%0.707SS**PPolyproline II helixtrans-46.6118.4166.9-93.6-176.9175.31790105.6G351 S355G351-K353 PolarHBondContact O-N 3.22Å; K353-S355 PolarHBondContact O-N 3.3Å
354G59.9Low71.5Confident74 Ų74122.2 Ų122.276%0.76367%0.669SS**  trans-46129.3-174.500000109.7A352 G356A352-G354 PolarHBondContact O-N 3.01Å; G354-G356 PolarHBondContact O-N 3.18Å
355S57.8Low73.1Confident123 Ų123112 Ų11286%0.8664%0.635SS**  trans-61.6105.3176.652.50000108.8K353 M357K353-S355 PolarHBondContact O-N 3.3Å; S355-M357 PolarHBondContact O-N 3.22Å
356G62.4Low75Confident73 Ų73109 Ų10975%0.75360%0.604SS**  trans23.475.615800000118.3G354G354-G356 PolarHBondContact O-N 3.18Å
357M60.3Low76.5Confident184 Ų18499.9 Ų99.991%0.90656%0.564SS**  -72.3124.7128-68.2-163.7-169.700105.3S355 Q359S355-M357 PolarHBondContact O-N 3.22Å; M357-Q359 VanDerWaalsContact C-N 3.27Å; M357-Q359 PolarHBondContact O-N 2.87Å
358L69.6Low77.9Confident165 Ų16588.4 Ų88.486%0.86452%0.521SS*.  trans-59.398.6172.4-17078.6000106.6K360L358-K360 PolarHBondContact O-N 2.65Å
359Q78.6Confident79.6Confident137 Ų13786.7 Ų86.764%0.6450%0.499SS*.  trans-66.6104.3-179.8-171.9176.831.500106.2M357 R361M357-Q359 VanDerWaalsContact C-N 3.27Å; M357-Q359 PolarHBondContact O-N 2.87Å; Q359-R361 HydrophobicContact CG-CG 4.3Å; Q359-R361 PolarHBondContact O-N 3.21Å; Q359-R361 VanDerWaalsContact O-N 3.1Å
360K90.7Very high80.3Confident96 Ų9681.1 Ų81.142%0.41747%0.473SS..  trans-60115.8171.6-70.3177.9-176.8171.10106.7L358 L487L358-K360 PolarHBondContact O-N 2.65Å; K360-L487 HydrophobicContact CB-CD2 4.02Å
361R94.9Very high80.8Confident141 Ų14181 Ų8153%0.53247%0.472SS..  trans-112.4141.7176.2-65.3178.7-177.5161.62.5108.3Q359 E391 H405Q359-R361 HydrophobicContact CG-CG 4.3Å; Q359-R361 PolarHBondContact O-N 3.21Å; Q359-R361 VanDerWaalsContact O-N 3.1Å; R361-E391 HydrophobicContact CB-CG 4.23Å; R361-E391 WeakPolarHBondContact CB-OE1 3.18Å; R361-H405 PolarHBondContact O-CD2 3.2Å
362S97.6Very high82Confident3 Ų381.8 Ų81.82%0.02146%0.458CS..  trans-164.895.5175.81720000105.7H393 F401 Y409 F486 L487S362-H393 VanDerWaalsContact CB-ND1 3.33Å; S362-H393 WeakPolarHBondContact CB-ND1 3.25Å; S362-H393 PolarHBondContact OG-ND1 3.27Å; S362-F401 WeakPolarHBondContact OG-CZ 3.37Å; S362-Y409 WeakPolarHBondContact OG-CE1 3.33Å; S362-Y409 PolarHBondContact OG-OH 2.83Å; S362-F486 CarbonylContact O-C 3.57Å; S362-F486 WeakPolarHBondContact O-CA 3.31Å; S362-L487 PolarHBondContact O-N 3.02Å
363A98.2Very high83.2Confident23 Ų2378.4 Ų78.419%0.1943%0.429CS..EExtended strand (participates in β ladder)trans-142155176.700000111.6Y388 E391 G485 F486A363-Y388 HydrophobicContact CB-CD1 4.06Å; A363-Y388 HydrophobicContact CB-CE1 3.74Å; A363-Y388 WeakPolarHBondContact O-CD1 3.47Å; A363-Y388 WeakPolarHBondContact O-CE1 3.17Å; A363-E391 PolarHBondContact N-OE2 3.13Å; A363-E391 VanDerWaalsContact N-OE2 3.12Å; A363-G485 CarbonylContact C-O 3.49Å; A363-G485 VanDerWaalsContact CA-O 3.23Å; A363-G485 WeakPolarHBondContact CA-O 3.26Å; A363-F486 HydrophobicContact CB-CB 3.59Å
364F98.6Very high84.3Confident4 Ų471.9 Ų71.92%0.01840%0.401CS..EExtended strand (participates in β ladder)trans-146.7155169.770.6-84000109.9V366 Y388 F394 F401 F411 F483 S484 G485F364-V366 HydrophobicContact CD2-CG1 4.31Å; F364-V366 HydrophobicContact CD2-CG2 4.05Å; F364-V366 HydrophobicContact CE2-CG2 4.26Å; F364-Y388 CarbonylContact C-O 3.48Å; F364-Y388 VanDerWaalsContact CA-O 3.24Å; F364-Y388 WeakPolarHBondContact CA-O 3.1Å; F364-F394 HydrophobicContact CB-CB 3.69Å; F364-F394 HydrophobicContact CB-CD2 4.49Å; F364-F394 HydrophobicContact CB-CG 4.4Å; F364-F394 HydrophobicContact CD1-CB 4.3Å; F364-F394 HydrophobicContact CD1-CD2 4.17Å; F364-F394 HydrophobicContact CD2-CB 4.13Å; F364-F394 AromaticContact CD2-CD2 3.31Å; F364-F394 HydrophobicContact CD2-CD2 3.31Å; F364-F394 AromaticContact CD2-CE2 3.97Å; F364-F394 HydrophobicContact CD2-CE2 3.97Å; F364-F394 AromaticContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CE1-CD2 4.23Å; F364-F394 AromaticContact CE2-CD2 3.4Å; F364-F394 HydrophobicContact CE2-CD2 3.4Å; F364-F394 AromaticContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CG 4.44Å; F364-F394 HydrophobicContact CG-CB 3.77Å; F364-F394 AromaticContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CG 4.1Å; F364-F394 AromaticContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CE2 4.26Å; F364-F401 HydrophobicContact CD1-CB 4.17Å; F364-F401 AromaticContact CD1-CD2 3.31Å; F364-F401 HydrophobicContact CD1-CD2 3.31Å; F364-F401 AromaticContact CD1-CE2 3.91Å; F364-F401 HydrophobicContact CD1-CE2 3.91Å; F364-F401 AromaticContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CE1-CB 3.59Å; F364-F401 HydrophobicContact CE1-CD1 4.29Å; F364-F401 AromaticContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CE2 4.13Å; F364-F401 AromaticContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CE1-CG 3.48Å; F364-F401 VanDerWaalsContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CG-CD2 4.4Å; F364-F401 HydrophobicContact CZ-CB 4Å; F364-F401 HydrophobicContact CZ-CG 4.34Å; F364-F411 HydrophobicContact CE1-CD1 4.25Å; F364-F411 AromaticContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CZ-CD1 4.04Å; F364-F411 AromaticContact CZ-CE1 3.96Å; F364-F411 HydrophobicContact CZ-CE1 3.96Å; F364-F483 AromaticContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD2 4.41Å; F364-F483 AromaticContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE2 4.42Å; F364-F483 HydrophobicContact CE2-CG 4.02Å; F364-F483 HydrophobicContact CE2-CZ 4.04Å; F364-F483 HydrophobicContact CZ-CD1 4.04Å; F364-F483 AromaticContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE2 4.11Å; F364-F483 AromaticContact CZ-CZ 3.6Å; F364-F483 HydrophobicContact CZ-CZ 3.6Å; F364-S484 VanDerWaalsContact O-CA 3.3Å; F364-S484 WeakPolarHBondContact O-CA 3.37Å; F364-G485 PolarHBondContact N-O 3.11Å; F364-G485 PolarHBondContact O-N 3.26Å
365S98.4Very high85.5Confident27 Ų2768.8 Ų68.819%0.18937%0.367CS..EExtended strand (participates in β ladder)trans-147.1116.6169.5-171.10000107.4F387 Y388 S484S365-F387 WeakPolarHBondContact O-CA 3.33Å; S365-F387 WeakPolarHBondContact O-CB 3.4Å; S365-F387 PolarHBondContact O-N 2.85Å; S365-Y388 PolarHBondContact N-O 2.92Å; S365-Y388 PolarHBondContact O-N 2.89Å; S365-S484 PolarHBondContact OG-OG 3.36Å
366V98.1Very high86.9Confident0 Ų067.3 Ų67.30%035%0.354CS..EExtended strand (participates in β ladder)trans-133.2150.7-172.9-62.90000109.7F364 F383 K385 F394 M396 I482 F483F364-V366 HydrophobicContact CD2-CG1 4.31Å; F364-V366 HydrophobicContact CD2-CG2 4.05Å; F364-V366 HydrophobicContact CE2-CG2 4.26Å; V366-F383 HydrophobicContact CB-CB 3.71Å; V366-F383 HydrophobicContact CB-CG 4.45Å; V366-F383 HydrophobicContact CG2-CB 3.38Å; V366-F383 HydrophobicContact CG2-CD1 4.22Å; V366-F383 HydrophobicContact CG2-CD2 4.16Å; V366-F383 HydrophobicContact CG2-CG 3.69Å; V366-K385 CarbonylContact C-O 3.57Å; V366-K385 VanDerWaalsContact CA-O 3.28Å; V366-K385 WeakPolarHBondContact CA-O 3.48Å; V366-F394 HydrophobicContact CG1-CD1 4.16Å; V366-F394 HydrophobicContact CG1-CE1 4.36Å; V366-F394 HydrophobicContact CG1-CG 4.32Å; V366-F394 HydrophobicContact CG2-CD2 4.39Å; V366-F394 HydrophobicContact CG2-CE1 4.22Å; V366-F394 HydrophobicContact CG2-CE2 3.94Å; V366-F394 HydrophobicContact CG2-CZ 3.84Å; V366-M396 HydrophobicContact CG1-CE 3.79Å; V366-I482 CarbonylContact O-C 3.59Å; V366-I482 WeakPolarHBondContact O-CA 3.36Å; V366-I482 WeakPolarHBondContact O-CG2 3.28Å; V366-F483 HydrophobicContact CG2-CB 4.29Å; V366-F483 HydrophobicContact CG2-CD1 4.45Å; V366-F483 WeakPolarHBondContact CG2-O 3.47Å; V366-F483 PolarHBondContact N-O 2.75Å; V366-F483 PolarHBondContact O-N 3.21Å
367G96.9Very high87.9Confident0 Ų065.2 Ų65.20%033%0.328CS..EExtended strand (participates in β ladder)trans-132.3170.1179.100000111.8F383 D384 K385 S481G367-F383 CarbonylContact O-C 3.56Å; G367-F383 VanDerWaalsContact O-CA 3.31Å; G367-F383 WeakPolarHBondContact O-CA 3.42Å; G367-D384 PolarHBondContact O-N 2.81Å; G367-K385 PolarHBondContact N-O 2.93Å; G367-K385 WeakPolarHBondContact O-CB 3.47Å; G367-K385 PolarHBondContact O-N 2.96Å; G367-S481 CarbonylContact C-O 3.54Å; G367-S481 WeakPolarHBondContact CA-O 3.35Å
368I95.7Very high88.9Confident1 Ų158.4 Ų58.41%0.00531%0.305CS..PPolyproline II helixtrans-87.5129.3172.8-58.3177.7000108.1K372 I381 F383 V473 A475 S481I368-K372 HydrophobicContact CG2-CB 3.77Å; I368-K372 WeakPolarHBondContact CG2-O 3.36Å; I368-I381 HydrophobicContact CD1-CG2 3.77Å; I368-I381 HydrophobicContact CG1-CG2 4.29Å; I368-F383 HydrophobicContact CD1-CE1 4.26Å; I368-F383 HydrophobicContact CG1-CD1 3.67Å; I368-F383 HydrophobicContact CG1-CE1 3.87Å; I368-V473 HydrophobicContact CD1-CG1 3.3Å; I368-A475 HydrophobicContact CB-CB 3.77Å; I368-A475 HydrophobicContact CG2-CB 3.81Å; I368-A475 WeakPolarHBondContact O-CB 3.4Å; I368-S481 PolarHBondContact N-O 3.14Å
369S92.4Very high89.8Confident28 Ų2857 Ų5720%0.19629%0.293CS..PPolyproline II helixtrans-63.4150.4175.5-71.10000111.6K371 K372 D384S369-K371 PolarHBondContact O-N 3.06Å; S369-K372 PolarHBondContact O-N 2.87Å; S369-K372 VanDerWaalsContact O-N 3.13Å; S369-D384 WeakPolarHBondContact CB-OD1 3.47Å; S369-D384 WeakPolarHBondContact CB-OD2 3.27Å; S369-D384 PolarHBondContact N-OD1 2.92Å; S369-D384 PolarHBondContact OG-OD1 2.74Å; S369-D384 PolarHBondContact OG-OD2 3.42Å
370P82.5Confident90.5Very high55 Ų5552.7 Ų52.736%0.35728%0.276SS..THydrogen-bonded Turntrans-50.8136.8171.4-21.829.6000110.5S476P370-S476 WeakPolarHBondContact CG-O 3.46Å
371K77.1Confident90.6Very high202 Ų20248.1 Ų48.188%0.87826%0.257SS*.THydrogen-bonded Turntrans803.8-178.5-46.1174-179.7179.90116.3S369S369-K371 PolarHBondContact O-N 3.06Å
372K85.5Confident90.6Very high78 Ų7848.1 Ų48.134%0.33926%0.256SS..  trans-106.427.7172.9-67.1-174-179168.90113.7I368 S369 D384I368-K372 HydrophobicContact CG2-CB 3.77Å; I368-K372 WeakPolarHBondContact CG2-O 3.36Å; S369-K372 PolarHBondContact O-N 2.87Å; S369-K372 VanDerWaalsContact O-N 3.13Å; K372-D384 WeakPolarHBondContact CD-OD2 3.35Å; K372-D384 WeakPolarHBondContact CE-OD2 3.48Å; K372-D384 IonicContact NZ-OD2 3.68Å; K372-D384 PolarHBondContact NZ-OD2 2.99Å
373S86.8Confident90.4Very high26 Ų2648 Ų4818%0.18226%0.256CS..  trans-56.5158.4170.9-54.10000111.9Y474 A475S373-Y474 VanDerWaalsContact OG-CD2 3.25Å; S373-Y474 WeakPolarHBondContact OG-CD2 3.39Å; S373-A475 PolarHBondContact OG-N 3.42Å; S373-A475 PolarHBondContact OG-O 3.01Å
374F88.5Confident90.2Very high70 Ų7048.9 Ų48.931%0.30726%0.257SS..SBendtrans57.661.2177.1-45-70.9000112.4R418 N419 V473 Y474F374-R418 WeakPolarHBondContact CE1-O 3.34Å; F374-N419 HydrophobicContact CE1-CB 4.2Å; F374-N419 HydrophobicContact CZ-CB 4.03Å; F374-V473 PolarHBondContact N-O 3.27Å; F374-Y474 HydrophobicContact CE2-CD2 4.37Å; F374-Y474 HydrophobicContact CZ-CD2 4.2Å
375P85.9Confident90Very high8 Ų851.8 Ų51.85%0.05227%0.27CS..PPolyproline II helixtrans-60151.5-179.228.5-34.4000110.8S377 I381 T466 V473P375-S377 PolarHBondContact O-N 2.86Å; P375-I381 HydrophobicContact CB-CG2 4.31Å; P375-I381 HydrophobicContact CG-CG1 4.19Å; P375-I381 HydrophobicContact CG-CG2 4.07Å; P375-T466 HydrophobicContact CG-CG2 4.33Å; P375-V473 HydrophobicContact CG-CB 4.13Å; P375-V473 HydrophobicContact CG-CG1 4.36Å; P375-V473 HydrophobicContact CG-CG2 4.27Å
376P85.6Confident89.9Confident92 Ų9254.8 Ų54.860%0.59728%0.283SS*.PPolyproline II helixtrans-54.1136.1174.3-2332.6000111F379P376-F379 HydrophobicContact CB-CD2 4.23Å
377S84.6Confident89.9Confident29 Ų2959.1 Ų59.120%0.20330%0.302CS..THydrogen-bonded Turntrans-85150.7-177.650.20000112.4P375 F379 R468P375-S377 PolarHBondContact O-N 2.86Å; S377-F379 WeakPolarHBondContact O-CD2 3.42Å; S377-F379 PolarHBondContact O-N 2.77Å; S377-R468 VanDerWaalsContact CB-CA 3.44Å; S377-R468 WeakPolarHBondContact OG-CA 3.48Å; S377-R468 WeakPolarHBondContact OG-CG 3.45Å
378G80.8Confident89.9Confident41 Ų4162.5 Ų62.542%0.42332%0.315SS..THydrogen-bonded Turntrans72.99.7-177.400000114.9T466G378-T466 PolarHBondContact N-O 3.21Å; G378-T466 VanDerWaalsContact N-O 3.1Å
379F88.3Confident90Very high136 Ų13663.2 Ų63.260%0.59632%0.319SS*.SBendtrans-124.1159.8170.2-62.4-83.2000109.1P376 S377 I381P376-F379 HydrophobicContact CB-CD2 4.23Å; S377-F379 WeakPolarHBondContact O-CD2 3.42Å; S377-F379 PolarHBondContact O-N 2.77Å; F379-I381 PolarHBondContact O-N 2.93Å
380P92.9Very high90.2Very high46 Ų4668.4 Ų68.430%0.29934%0.34SS..BIsolated β-bridgetrans-52.3131.3170.2-26.434.5000111.7R382 N399 W463 M464P380-R382 PolarHBondContact O-N 2.84Å; P380-N399 HydrophobicContact CB-CB 4.03Å; P380-W463 HydrophobicContact CB-CB 4.35Å; P380-W463 HydrophobicContact CB-CG 4.2Å; P380-W463 HydrophobicContact CG-CG 4.15Å; P380-M464 CarbonylContact C-O 3.5Å; P380-M464 WeakPolarHBondContact CA-O 3.31Å
381I94.1Very high90.8Very high1 Ų167.9 Ų67.91%0.00533%0.333CS..  trans-60.9128.1174.6-63.7173.9000108I368 P375 F379 F383 N399 M464 T466I368-I381 HydrophobicContact CD1-CG2 3.77Å; I368-I381 HydrophobicContact CG1-CG2 4.29Å; P375-I381 HydrophobicContact CB-CG2 4.31Å; P375-I381 HydrophobicContact CG-CG1 4.19Å; P375-I381 HydrophobicContact CG-CG2 4.07Å; F379-I381 PolarHBondContact O-N 2.93Å; I381-F383 HydrophobicContact CB-CD2 4.31Å; I381-F383 HydrophobicContact CB-CE2 3.67Å; I381-F383 HydrophobicContact CB-CZ 3.98Å; I381-F383 HydrophobicContact CD1-CZ 4.43Å; I381-F383 HydrophobicContact CG2-CD1 4.47Å; I381-F383 HydrophobicContact CG2-CD2 4.12Å; I381-F383 HydrophobicContact CG2-CE1 4.03Å; I381-F383 HydrophobicContact CG2-CE2 3.65Å; I381-F383 HydrophobicContact CG2-CZ 3.58Å; I381-F383 VanDerWaalsContact O-CD2 3.23Å; I381-F383 WeakPolarHBondContact O-CD2 3.37Å; I381-F383 PolarHBondContact O-N 2.84Å; I381-N399 VanDerWaalsContact O-CB 3.32Å; I381-N399 WeakPolarHBondContact O-CB 3.5Å; I381-M464 HydrophobicContact CD1-CB 3.83Å; I381-M464 HydrophobicContact CG1-CB 4.35Å; I381-M464 PolarHBondContact N-O 3.41Å; I381-T466 HydrophobicContact CD1-CG2 3.69Å; I381-T466 HydrophobicContact CG1-CG2 4.05Å
382R93.4Very high91.8Very high140 Ų14064.1 Ų64.153%0.52832%0.322SS..  trans-79.5104.9179.8-174.6179.9175-175.82.2110.9P380 N399P380-R382 PolarHBondContact O-N 2.84Å; R382-N399 WeakPolarHBondContact CA-OD1 3.38Å
383F94.8Very high92.3Very high2 Ų261.7 Ų61.71%0.00931%0.312CS..  trans-99.9107.8171.5-60.2-84.3000109.2V366 G367 I368 I381 F394 M396 N399 M464 F483V366-F383 HydrophobicContact CB-CB 3.71Å; V366-F383 HydrophobicContact CB-CG 4.45Å; V366-F383 HydrophobicContact CG2-CB 3.38Å; V366-F383 HydrophobicContact CG2-CD1 4.22Å; V366-F383 HydrophobicContact CG2-CD2 4.16Å; V366-F383 HydrophobicContact CG2-CG 3.69Å; G367-F383 CarbonylContact O-C 3.56Å; G367-F383 VanDerWaalsContact O-CA 3.31Å; G367-F383 WeakPolarHBondContact O-CA 3.42Å; I368-F383 HydrophobicContact CD1-CE1 4.26Å; I368-F383 HydrophobicContact CG1-CD1 3.67Å; I368-F383 HydrophobicContact CG1-CE1 3.87Å; I381-F383 HydrophobicContact CB-CD2 4.31Å; I381-F383 HydrophobicContact CB-CE2 3.67Å; I381-F383 HydrophobicContact CB-CZ 3.98Å; I381-F383 HydrophobicContact CD1-CZ 4.43Å; I381-F383 HydrophobicContact CG2-CD1 4.47Å; I381-F383 HydrophobicContact CG2-CD2 4.12Å; I381-F383 HydrophobicContact CG2-CE1 4.03Å; I381-F383 HydrophobicContact CG2-CE2 3.65Å; I381-F383 HydrophobicContact CG2-CZ 3.58Å; I381-F383 VanDerWaalsContact O-CD2 3.23Å; I381-F383 WeakPolarHBondContact O-CD2 3.37Å; I381-F383 PolarHBondContact O-N 2.84Å; F383-F394 HydrophobicContact CB-CZ 4.49Å; F383-F394 HydrophobicContact CD2-CZ 4.29Å; F383-M396 WeakPolarHBondContact O-CE 3.34Å; F383-N399 PolarHBondContact N-OD1 2.99Å; F383-M464 HydrophobicContact CE2-CB 4.16Å; F383-M464 HydrophobicContact CE2-CG 4.48Å; F383-M464 HydrophobicContact CE2-SD 4.4Å; F383-M464 HydrophobicContact CZ-CB 4.41Å; F383-M464 HydrophobicContact CZ-SD 3.95Å; F383-F483 HydrophobicContact CD1-CB 4.23Å; F383-F483 HydrophobicContact CD2-CB 4.32Å; F383-F483 HydrophobicContact CD2-CD1 4.25Å; F383-F483 HydrophobicContact CE1-CB 3.71Å; F383-F483 HydrophobicContact CE2-CB 3.8Å; F383-F483 AromaticContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CG 4.22Å; F383-F483 HydrophobicContact CZ-CB 3.48Å; F383-F483 VanDerWaalsContact CZ-CB 3.48Å; F383-F483 HydrophobicContact CZ-CD1 4.4Å; F383-F483 HydrophobicContact CZ-CG 4.27Å
384D93.1Very high92.9Very high40 Ų4060.6 Ų60.621%0.21430%0.304CS..  trans-116.3-3.5-172.465.7-47.7000113.9G367 S369 K372G367-D384 PolarHBondContact O-N 2.81Å; S369-D384 WeakPolarHBondContact CB-OD1 3.47Å; S369-D384 WeakPolarHBondContact CB-OD2 3.27Å; S369-D384 PolarHBondContact N-OD1 2.92Å; S369-D384 PolarHBondContact OG-OD1 2.74Å; S369-D384 PolarHBondContact OG-OD2 3.42Å; K372-D384 WeakPolarHBondContact CD-OD2 3.35Å; K372-D384 WeakPolarHBondContact CE-OD2 3.48Å; K372-D384 IonicContact NZ-OD2 3.68Å; K372-D384 PolarHBondContact NZ-OD2 2.99Å
385K95Very high93.2Very high65 Ų6560.6 Ų60.628%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-94114.7169.4-176.2-179.9177.7-173.40108.3V366 G367 F387 D480V366-K385 CarbonylContact C-O 3.57Å; V366-K385 VanDerWaalsContact CA-O 3.28Å; V366-K385 WeakPolarHBondContact CA-O 3.48Å; G367-K385 PolarHBondContact N-O 2.93Å; G367-K385 WeakPolarHBondContact O-CB 3.47Å; G367-K385 PolarHBondContact O-N 2.96Å; K385-F387 HydrophobicContact CD-CE1 4.11Å; K385-F387 HydrophobicContact CD-CE2 4.38Å; K385-F387 HydrophobicContact CD-CZ 3.73Å; K385-F387 VanDerWaalsContact CE-CE1 3.41Å; K385-F387 VanDerWaalsContact CE-CZ 3.44Å; K385-F387 HydrophobicContact CG-CE1 4.41Å; K385-F387 HydrophobicContact CG-CZ 4.2Å; K385-D480 VanDerWaalsContact NZ-CG 3.26Å; K385-D480 IonicContact NZ-OD1 3.1Å; K385-D480 PolarHBondContact NZ-OD1 3.1Å; K385-D480 IonicContact NZ-OD2 3.21Å; K385-D480 PolarHBondContact NZ-OD2 3.36Å
386I96.2Very high93.6Very high91 Ų9163 Ų6347%0.46732%0.319SS..EExtended strand (participates in β ladder)trans-95120-179.6-57.2173.6000109N389 M396I386-N389 HydrophobicContact CG2-CB 3.81Å; I386-M396 HydrophobicContact CD1-CG 4.09Å; I386-M396 HydrophobicContact CD1-SD 3.67Å; I386-M396 HydrophobicContact CG1-CE 4.2Å; I386-M396 HydrophobicContact CG1-SD 3.64Å
387F97.1Very high94Very high90 Ų9064.2 Ų64.240%0.39533%0.329SS..EExtended strand (participates in β ladder)trans-93.2-40.9168-58.5-74.3000111.1S365 K385 I482S365-F387 WeakPolarHBondContact O-CA 3.33Å; S365-F387 WeakPolarHBondContact O-CB 3.4Å; S365-F387 PolarHBondContact O-N 2.85Å; K385-F387 HydrophobicContact CD-CE1 4.11Å; K385-F387 HydrophobicContact CD-CE2 4.38Å; K385-F387 HydrophobicContact CD-CZ 3.73Å; K385-F387 VanDerWaalsContact CE-CE1 3.41Å; K385-F387 VanDerWaalsContact CE-CZ 3.44Å; K385-F387 HydrophobicContact CG-CE1 4.41Å; K385-F387 HydrophobicContact CG-CZ 4.2Å; F387-I482 HydrophobicContact CD2-CG2 4.3Å; F387-I482 HydrophobicContact CE2-CD1 4Å; F387-I482 HydrophobicContact CE2-CG1 3.97Å; F387-I482 HydrophobicContact CE2-CG2 4.1Å; F387-I482 HydrophobicContact CZ-CD1 4.19Å; F387-I482 HydrophobicContact CZ-CG1 4.43Å
388Y98.3Very high94.4Very high71 Ų7165 Ų6528%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-151.8132.2177.6-173-92.4000109.9A363 F364 S365 E390 E391A363-Y388 HydrophobicContact CB-CD1 4.06Å; A363-Y388 HydrophobicContact CB-CE1 3.74Å; A363-Y388 WeakPolarHBondContact O-CD1 3.47Å; A363-Y388 WeakPolarHBondContact O-CE1 3.17Å; F364-Y388 CarbonylContact C-O 3.48Å; F364-Y388 VanDerWaalsContact CA-O 3.24Å; F364-Y388 WeakPolarHBondContact CA-O 3.1Å; S365-Y388 PolarHBondContact N-O 2.92Å; S365-Y388 PolarHBondContact O-N 2.89Å; Y388-E390 HydrophobicContact CD2-CG 4.21Å; Y388-E390 HydrophobicContact CE1-CB 4.43Å; Y388-E390 HydrophobicContact CE2-CB 4.2Å; Y388-E390 VanDerWaalsContact CE2-CD 3.42Å; Y388-E390 HydrophobicContact CE2-CG 3.56Å; Y388-E390 VanDerWaalsContact CE2-OE2 3.32Å; Y388-E390 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E390 PolarHBondContact OH-OE2 2.78Å; Y388-E391 PolarHBondContact OH-OE1 2.89Å
389N97.4Very high95.1Very high17 Ų1763.9 Ų63.99%0.09132%0.319CS..  trans-165.542.9172.6-168.229.2000110.4I386 E391 N392 F394I386-N389 HydrophobicContact CG2-CB 3.81Å; N389-E391 VanDerWaalsContact C-N 3.27Å; N389-E391 PolarHBondContact O-N 2.75Å; N389-N392 PolarHBondContact O-N 2.95Å; N389-F394 PolarHBondContact ND2-O 2.65Å; N389-F394 WeakPolarHBondContact OD1-CB 3.45Å; N389-F394 PolarHBondContact OD1-N 2.73Å; N389-F394 VanDerWaalsContact OD1-N 3.15Å
390E96.1Very high95.5Very high137 Ų13757.6 Ų57.664%0.6429%0.292SS*.THydrogen-bonded Turntrans-61-36.3-171.9-70-176.2152.800112.6Y388 N392Y388-E390 HydrophobicContact CD2-CG 4.21Å; Y388-E390 HydrophobicContact CE1-CB 4.43Å; Y388-E390 HydrophobicContact CE2-CB 4.2Å; Y388-E390 VanDerWaalsContact CE2-CD 3.42Å; Y388-E390 HydrophobicContact CE2-CG 3.56Å; Y388-E390 VanDerWaalsContact CE2-OE2 3.32Å; Y388-E390 WeakPolarHBondContact CE2-OE2 3.49Å; Y388-E390 PolarHBondContact OH-OE2 2.78Å; E390-N392 PolarHBondContact O-N 2.79Å; E390-N392 PolarHBondContact O-ND2 3.29Å
391E95.8Very high95.8Very high43 Ų4355.4 Ų55.420%0.20128%0.278CS..THydrogen-bonded Turntrans-77.7-7.6177.4-62.183-160.500113.8R361 A363 Y388 N389 H393R361-E391 HydrophobicContact CB-CG 4.23Å; R361-E391 WeakPolarHBondContact CB-OE1 3.18Å; A363-E391 PolarHBondContact N-OE2 3.13Å; A363-E391 VanDerWaalsContact N-OE2 3.12Å; Y388-E391 PolarHBondContact OH-OE1 2.89Å; N389-E391 VanDerWaalsContact C-N 3.27Å; N389-E391 PolarHBondContact O-N 2.75Å; E391-H393 PolarHBondContact O-CD2 2.81Å; E391-H393 PolarHBondContact O-N 2.87Å
392N97Very high96Very high123 Ų12357.5 Ų57.566%0.65829%0.29SS*.  trans56.127.1-176.8-58-76.1000114.1N389 E390 F394N389-N392 PolarHBondContact O-N 2.95Å; E390-N392 PolarHBondContact O-N 2.79Å; E390-N392 PolarHBondContact O-ND2 3.29Å; N392-F394 VanDerWaalsContact C-N 3.32Å
393H97.7Very high96.2Very high27 Ų2750.9 Ų50.913%0.12527%0.266CS..  trans-78.3-19.2176.5-63171.6000112.2S362 E391 F401 T402 V404S362-H393 VanDerWaalsContact CB-ND1 3.33Å; S362-H393 WeakPolarHBondContact CB-ND1 3.25Å; S362-H393 PolarHBondContact OG-ND1 3.27Å; E391-H393 PolarHBondContact O-CD2 2.81Å; E391-H393 PolarHBondContact O-N 2.87Å; H393-F401 HydrophobicContact CB-CD2 3.97Å; H393-F401 HydrophobicContact CB-CE2 3.53Å; H393-F401 HydrophobicContact CB-CZ 4.45Å; H393-F401 WeakPolarHBondContact O-CA 3.31Å; H393-T402 PolarHBondContact O-N 2.77Å; H393-V404 VanDerWaalsContact CD2-CG2 3.42Å; H393-V404 WeakPolarHBondContact CD2-CG2 3.37Å; H393-V404 WeakPolarHBondContact NE2-CG2 3.37Å
394F97.9Very high96.3Very high3 Ų354 Ų541%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-90.1118.9166.3-166.8-76.4000110.4F364 V366 F383 N389 N392 M396 F401 F483F364-F394 HydrophobicContact CB-CB 3.69Å; F364-F394 HydrophobicContact CB-CD2 4.49Å; F364-F394 HydrophobicContact CB-CG 4.4Å; F364-F394 HydrophobicContact CD1-CB 4.3Å; F364-F394 HydrophobicContact CD1-CD2 4.17Å; F364-F394 HydrophobicContact CD2-CB 4.13Å; F364-F394 AromaticContact CD2-CD2 3.31Å; F364-F394 HydrophobicContact CD2-CD2 3.31Å; F364-F394 AromaticContact CD2-CE2 3.97Å; F364-F394 HydrophobicContact CD2-CE2 3.97Å; F364-F394 AromaticContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CD2-CG 3.94Å; F364-F394 HydrophobicContact CE1-CD2 4.23Å; F364-F394 AromaticContact CE2-CD2 3.4Å; F364-F394 HydrophobicContact CE2-CD2 3.4Å; F364-F394 AromaticContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CE2 3.69Å; F364-F394 HydrophobicContact CE2-CG 4.44Å; F364-F394 HydrophobicContact CG-CB 3.77Å; F364-F394 AromaticContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CD2 3.72Å; F364-F394 HydrophobicContact CG-CG 4.1Å; F364-F394 AromaticContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CD2 3.87Å; F364-F394 HydrophobicContact CZ-CE2 4.26Å; V366-F394 HydrophobicContact CG1-CD1 4.16Å; V366-F394 HydrophobicContact CG1-CE1 4.36Å; V366-F394 HydrophobicContact CG1-CG 4.32Å; V366-F394 HydrophobicContact CG2-CD2 4.39Å; V366-F394 HydrophobicContact CG2-CE1 4.22Å; V366-F394 HydrophobicContact CG2-CE2 3.94Å; V366-F394 HydrophobicContact CG2-CZ 3.84Å; F383-F394 HydrophobicContact CB-CZ 4.49Å; F383-F394 HydrophobicContact CD2-CZ 4.29Å; N389-F394 PolarHBondContact ND2-O 2.65Å; N389-F394 WeakPolarHBondContact OD1-CB 3.45Å; N389-F394 PolarHBondContact OD1-N 2.73Å; N389-F394 VanDerWaalsContact OD1-N 3.15Å; N392-F394 VanDerWaalsContact C-N 3.32Å; F394-M396 HydrophobicContact CD1-CE 3.08Å; F394-M396 HydrophobicContact CE1-CE 3.19Å; F394-M396 HydrophobicContact CG-CE 4.27Å; F394-M396 HydrophobicContact CZ-CE 4.44Å; F394-F401 HydrophobicContact CD2-CB 3.97Å; F394-F483 AromaticContact CE2-CD1 3.92Å; F394-F483 HydrophobicContact CE2-CD1 3.92Å; F394-F483 AromaticContact CE2-CE1 3.91Å; F394-F483 HydrophobicContact CE2-CE1 3.91Å
395N96.3Very high96.5Very high71 Ų7154.5 Ų54.538%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-92.9113.3-178.5-178.3-41.2000110.7S397 S398 N399 S400N395-S397 VanDerWaalsContact C-N 3.31Å; N395-S397 PolarHBondContact O-N 3.02Å; N395-S397 WeakPolarHBondContact OD1-CA 3.45Å; N395-S397 WeakPolarHBondContact OD1-CB 3.5Å; N395-S397 PolarHBondContact OD1-N 3.01Å; N395-S398 WeakPolarHBondContact CB-OG 3.49Å; N395-S398 PolarHBondContact O-N 2.83Å; N395-S398 PolarHBondContact O-OG 3.36Å; N395-S398 PolarHBondContact OD1-N 2.82Å; N395-S398 VanDerWaalsContact OD1-N 3.09Å; N395-S398 PolarHBondContact OD1-OG 3.13Å; N395-N399 VanDerWaalsContact O-CA 3.27Å; N395-N399 WeakPolarHBondContact O-CA 3.45Å; N395-N399 PolarHBondContact O-N 2.89Å; N395-S400 PolarHBondContact N-O 3.34Å; N395-S400 PolarHBondContact O-N 2.72Å
396M93.6Very high96.6Very high58 Ų5853.5 Ų53.529%0.28629%0.286SS..THydrogen-bonded Turntrans-65.3-27.7-179.8-66.2-77.59800114.4V366 F383 I386 F394 N399V366-M396 HydrophobicContact CG1-CE 3.79Å; F383-M396 WeakPolarHBondContact O-CE 3.34Å; I386-M396 HydrophobicContact CD1-CG 4.09Å; I386-M396 HydrophobicContact CD1-SD 3.67Å; I386-M396 HydrophobicContact CG1-CE 4.2Å; I386-M396 HydrophobicContact CG1-SD 3.64Å; F394-M396 HydrophobicContact CD1-CE 3.08Å; F394-M396 HydrophobicContact CE1-CE 3.19Å; F394-M396 HydrophobicContact CG-CE 4.27Å; F394-M396 HydrophobicContact CZ-CE 4.44Å; M396-N399 PolarHBondContact O-OD1 3.16Å
397S93Very high96.7Very high117 Ų11749.2 Ų49.282%0.81826%0.264SS*.THydrogen-bonded Turntrans-75.5-38.7-179.4-55.40000111.6N395N395-S397 VanDerWaalsContact C-N 3.31Å; N395-S397 PolarHBondContact O-N 3.02Å; N395-S397 WeakPolarHBondContact OD1-CA 3.45Å; N395-S397 WeakPolarHBondContact OD1-CB 3.5Å; N395-S397 PolarHBondContact OD1-N 3.01Å
398S93.3Very high96.7Very high45 Ų4546.6 Ų46.632%0.31526%0.256SS..THydrogen-bonded Turntrans-93-13.5177.362.10000113.7N395 S400N395-S398 WeakPolarHBondContact CB-OG 3.49Å; N395-S398 PolarHBondContact O-N 2.83Å; N395-S398 PolarHBondContact O-OG 3.36Å; N395-S398 PolarHBondContact OD1-N 2.82Å; N395-S398 VanDerWaalsContact OD1-N 3.09Å; N395-S398 PolarHBondContact OD1-OG 3.13Å; S398-S400 PolarHBondContact O-N 3.07Å; S398-S400 PolarHBondContact OG-OG 2.99Å
399N95.7Very high96.7Very high18 Ų1843.2 Ų43.210%0.09624%0.242CC..THydrogen-bonded Turntrans52.841.1-170.8-59.2-80.5000112.9P380 I381 R382 F383 N395 M396 W463P380-N399 HydrophobicContact CB-CB 4.03Å; I381-N399 VanDerWaalsContact O-CB 3.32Å; I381-N399 WeakPolarHBondContact O-CB 3.5Å; R382-N399 WeakPolarHBondContact CA-OD1 3.38Å; F383-N399 PolarHBondContact N-OD1 2.99Å; N395-N399 VanDerWaalsContact O-CA 3.27Å; N395-N399 WeakPolarHBondContact O-CA 3.45Å; N395-N399 PolarHBondContact O-N 2.89Å; M396-N399 PolarHBondContact O-OD1 3.16Å; N399-W463 WeakPolarHBondContact O-CB 3.13Å
400S97.1Very high96.8Very high4 Ų443 Ų433%0.02824%0.242CC..EExtended strand (participates in β ladder)trans-133146.5-179.670.80000111.1N395 S398 V462N395-S400 PolarHBondContact N-O 3.34Å; N395-S400 PolarHBondContact O-N 2.72Å; S398-S400 PolarHBondContact O-N 3.07Å; S398-S400 PolarHBondContact OG-OG 2.99Å; S400-V462 WeakPolarHBondContact CA-O 3.35Å
401F98.4Very high96.9Very high0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-87.5130.4168.7170.4-100.4000109.7S362 F364 H393 F394 C403 Y409 F411 L456 Q461 V462S362-F401 WeakPolarHBondContact OG-CZ 3.37Å; F364-F401 HydrophobicContact CD1-CB 4.17Å; F364-F401 AromaticContact CD1-CD2 3.31Å; F364-F401 HydrophobicContact CD1-CD2 3.31Å; F364-F401 AromaticContact CD1-CE2 3.91Å; F364-F401 HydrophobicContact CD1-CE2 3.91Å; F364-F401 AromaticContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CD1-CG 3.91Å; F364-F401 HydrophobicContact CE1-CB 3.59Å; F364-F401 HydrophobicContact CE1-CD1 4.29Å; F364-F401 AromaticContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CD2 3.39Å; F364-F401 HydrophobicContact CE1-CE2 4.13Å; F364-F401 AromaticContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CE1-CG 3.48Å; F364-F401 VanDerWaalsContact CE1-CG 3.48Å; F364-F401 HydrophobicContact CG-CD2 4.4Å; F364-F401 HydrophobicContact CZ-CB 4Å; F364-F401 HydrophobicContact CZ-CG 4.34Å; H393-F401 HydrophobicContact CB-CD2 3.97Å; H393-F401 HydrophobicContact CB-CE2 3.53Å; H393-F401 HydrophobicContact CB-CZ 4.45Å; H393-F401 WeakPolarHBondContact O-CA 3.31Å; F394-F401 HydrophobicContact CD2-CB 3.97Å; F401-C403 HydrophobicContact CE1-CB 4.15Å; F401-Y409 HydrophobicContact CE1-CD1 4.17Å; F401-Y409 AromaticContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CZ-CD1 4.08Å; F401-Y409 AromaticContact CZ-CE1 3.46Å; F401-Y409 HydrophobicContact CZ-CE1 3.46Å; F401-Y409 VanDerWaalsContact CZ-CE1 3.46Å; F401-Y409 AromaticContact CZ-CZ 3.97Å; F401-F411 AromaticContact CD1-CE1 3.98Å; F401-F411 HydrophobicContact CD1-CE1 3.98Å; F401-F411 AromaticContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CE1-CE1 4.45Å; F401-F411 HydrophobicContact CE1-CZ 4.08Å; F401-F411 HydrophobicContact CG-CE1 4.41Å; F401-L456 HydrophobicContact CE1-CD1 4.18Å; F401-Q461 CarbonylContact O-C 3.09Å; F401-Q461 VanDerWaalsContact O-CA 3.26Å; F401-Q461 WeakPolarHBondContact O-CA 3.32Å; F401-V462 HydrophobicContact CB-CB 4.4Å; F401-V462 HydrophobicContact CD1-CB 4.24Å; F401-V462 HydrophobicContact CD1-CG2 4.22Å; F401-V462 PolarHBondContact N-O 3.32Å; F401-V462 PolarHBondContact O-N 3.39Å
402T98.3Very high97Very high45 Ų4535.5 Ų35.528%0.27621%0.209SC..EExtended strand (participates in β ladder)trans-103.8123.2172.6-56.70000109.4H393 V404H393-T402 PolarHBondContact O-N 2.77Å; T402-V404 PolarHBondContact O-N 2.94Å
403C97.9Very high97Very high1 Ų129.6 Ų29.61%0.00718%0.177CC..  trans-68.7112175.3-178.70000110.2F401 H405 Y409 L456 A457 G459 D460F401-C403 HydrophobicContact CE1-CB 4.15Å; C403-H405 PolarHBondContact SG-O 2.99Å; C403-Y409 VanDerWaalsContact SG-CE2 3.56Å; C403-L456 HydrophobicContact CB-CB 4.11Å; C403-L456 HydrophobicContact CB-CD1 4.16Å; C403-A457 WeakPolarHBondContact CB-O 3.2Å; C403-A457 PolarHBondContact SG-O 3.35Å; C403-G459 PolarHBondContact O-N 3.47Å; C403-D460 HydrophobicContact CB-CB 4.13Å; C403-D460 WeakPolarHBondContact CB-O 3.38Å; C403-D460 PolarHBondContact N-O 3.02Å
404V97.1Very high97Very high69 Ų6932.3 Ų32.342%0.41819%0.19SC..  trans-93.9-30.6175.8178.10000111.7H393 T402H393-V404 VanDerWaalsContact CD2-CG2 3.42Å; H393-V404 WeakPolarHBondContact CD2-CG2 3.37Å; H393-V404 WeakPolarHBondContact NE2-CG2 3.37Å; T402-V404 PolarHBondContact O-N 2.94Å
405H96.8Very high96.9Very high49 Ų4932.2 Ų32.223%0.22719%0.189CC..SBendtrans-116114.6-179.2-62.9-37.1000109.4R361 C403 Y409 L487R361-H405 PolarHBondContact O-CD2 3.2Å; C403-H405 PolarHBondContact SG-O 2.99Å; H405-Y409 WeakPolarHBondContact O-CE2 3.47Å; H405-Y409 PolarHBondContact O-OH 2.85Å; H405-L487 HydrophobicContact CB-CD2 4Å
406P97.7Very high96.9Very high45 Ų4528.9 Ų28.929%0.29217%0.172SC..  trans-62.6143.517728.8-33.3000109.8L456 D491P406-L456 WeakPolarHBondContact CA-O 3.34Å; P406-D491 HydrophobicContact CB-CB 4.46Å; P406-D491 PolarHBondContact O-N 3.32Å
407G97.4Very high97Very high0 Ų026.1 Ų26.10%016%0.158CC..EExtended strand (participates in β ladder)trans153.5-166.3-176.300000114.1R455 L456 Y489 D491G407-R455 CarbonylContact O-C 3.38Å; G407-R455 WeakPolarHBondContact O-CA 3.44Å; G407-L456 PolarHBondContact N-O 3.12Å; G407-L456 PolarHBondContact O-N 2.95Å; G407-Y489 CarbonylContact C-O 3.56Å; G407-Y489 VanDerWaalsContact CA-O 3.25Å; G407-Y489 WeakPolarHBondContact CA-O 3.46Å; G407-D491 PolarHBondContact N-OD2 3.04Å
408V98.2Very high96.9Very high36 Ų3624.4 Ų24.422%0.21813%0.134CC..EExtended strand (participates in β ladder)trans-93.1122.5178.9-1770000109.8V453 L488 Y489V408-V453 HydrophobicContact CG1-CG1 3.31Å; V408-L488 WeakPolarHBondContact O-CA 3.5Å; V408-L488 WeakPolarHBondContact O-CB 3.35Å; V408-L488 PolarHBondContact O-N 3.21Å; V408-Y489 HydrophobicContact CB-CD2 4.29Å; V408-Y489 PolarHBondContact N-O 2.93Å; V408-Y489 PolarHBondContact O-N 3.21Å; V408-Y489 VanDerWaalsContact O-N 3.16Å
409Y98.5Very high96.7Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-112.4146.8177.8-76.7-97.8000111.1S362 F401 C403 H405 F411 V453 L454 L456 F486 L487S362-Y409 WeakPolarHBondContact OG-CE1 3.33Å; S362-Y409 PolarHBondContact OG-OH 2.83Å; F401-Y409 HydrophobicContact CE1-CD1 4.17Å; F401-Y409 AromaticContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CE1-CE1 3.89Å; F401-Y409 HydrophobicContact CZ-CD1 4.08Å; F401-Y409 AromaticContact CZ-CE1 3.46Å; F401-Y409 HydrophobicContact CZ-CE1 3.46Å; F401-Y409 VanDerWaalsContact CZ-CE1 3.46Å; F401-Y409 AromaticContact CZ-CZ 3.97Å; C403-Y409 VanDerWaalsContact SG-CE2 3.56Å; H405-Y409 WeakPolarHBondContact O-CE2 3.47Å; H405-Y409 PolarHBondContact O-OH 2.85Å; Y409-F411 VanDerWaalsContact CB-CE2 3.49Å; Y409-F411 HydrophobicContact CD1-CZ 4.4Å; Y409-F411 HydrophobicContact CG-CE2 4.31Å; Y409-F411 HydrophobicContact CG-CZ 4.37Å; Y409-V453 CarbonylContact O-C 3.52Å; Y409-V453 WeakPolarHBondContact O-CA 3.35Å; Y409-L454 PolarHBondContact N-O 3.14Å; Y409-L454 PolarHBondContact O-N 3.28Å; Y409-L456 HydrophobicContact CD2-CB 3.98Å; Y409-L456 HydrophobicContact CD2-CD1 3.76Å; Y409-L456 HydrophobicContact CD2-CG 4Å; Y409-L456 HydrophobicContact CE2-CB 4.25Å; Y409-L456 HydrophobicContact CE2-CD1 4.28Å; Y409-L456 HydrophobicContact CG-CD1 3.96Å; Y409-F486 WeakPolarHBondContact CA-O 3.42Å; Y409-F486 VanDerWaalsContact CD1-C 3.49Å; Y409-F486 WeakPolarHBondContact CD1-O 3.5Å; Y409-L487 HydrophobicContact CD1-CB 4.16Å; Y409-L487 HydrophobicContact CD2-CD1 4.07Å; Y409-L487 HydrophobicContact CE1-CB 3.67Å; Y409-L487 HydrophobicContact CE1-CD1 4.19Å; Y409-L487 HydrophobicContact CE2-CD1 3.61Å
410V98.6Very high96.5Very high13 Ų1330.2 Ų30.28%0.07916%0.158CC..EExtended strand (participates in β ladder)trans-105.6129.4167.2-179.10000107.6L451 V452 V453 G485 F486 L488V410-L451 HydrophobicContact CG1-CD1 4.05Å; V410-L451 HydrophobicContact CG1-CD2 4.12Å; V410-L451 HydrophobicContact CG1-CG 3.95Å; V410-V452 WeakPolarHBondContact CA-O 3.28Å; V410-V453 HydrophobicContact CG2-CG2 4.28Å; V410-G485 CarbonylContact O-C 3.46Å; V410-G485 WeakPolarHBondContact O-CA 3.18Å; V410-F486 HydrophobicContact CB-CD1 4.35Å; V410-F486 HydrophobicContact CB-CE1 3.83Å; V410-F486 HydrophobicContact CB-CE2 4.16Å; V410-F486 HydrophobicContact CB-CZ 3.72Å; V410-F486 HydrophobicContact CG1-CE1 4Å; V410-F486 HydrophobicContact CG1-CZ 4.09Å; V410-F486 HydrophobicContact CG2-CE2 4.16Å; V410-F486 HydrophobicContact CG2-CZ 3.98Å; V410-F486 PolarHBondContact N-O 2.78Å; V410-F486 PolarHBondContact O-N 3Å; V410-L488 HydrophobicContact CG2-CB 4.07Å; V410-L488 HydrophobicContact CG2-CD2 3.92Å; V410-L488 HydrophobicContact CG2-CG 4.44Å
411F98.4Very high96.3Very high1 Ų131.3 Ų31.30%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-116.8136.7170.7-65.4-85000109.3F364 F401 Y409 L426 L451 V452 L454 L456 V462 F483 S484F364-F411 HydrophobicContact CE1-CD1 4.25Å; F364-F411 AromaticContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CE1-CE1 3.8Å; F364-F411 HydrophobicContact CZ-CD1 4.04Å; F364-F411 AromaticContact CZ-CE1 3.96Å; F364-F411 HydrophobicContact CZ-CE1 3.96Å; F401-F411 AromaticContact CD1-CE1 3.98Å; F401-F411 HydrophobicContact CD1-CE1 3.98Å; F401-F411 AromaticContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CD1-CZ 3.9Å; F401-F411 HydrophobicContact CE1-CE1 4.45Å; F401-F411 HydrophobicContact CE1-CZ 4.08Å; F401-F411 HydrophobicContact CG-CE1 4.41Å; Y409-F411 VanDerWaalsContact CB-CE2 3.49Å; Y409-F411 HydrophobicContact CD1-CZ 4.4Å; Y409-F411 HydrophobicContact CG-CE2 4.31Å; Y409-F411 HydrophobicContact CG-CZ 4.37Å; F411-L426 HydrophobicContact CB-CD2 4.09Å; F411-L426 HydrophobicContact CD2-CD2 4.38Å; F411-L426 HydrophobicContact CG-CD2 4.27Å; F411-L451 CarbonylContact O-C 3.49Å; F411-L451 WeakPolarHBondContact O-CA 3.35Å; F411-V452 HydrophobicContact CB-CG1 3.97Å; F411-V452 PolarHBondContact N-O 3.42Å; F411-V452 PolarHBondContact O-N 3.21Å; F411-L454 HydrophobicContact CD2-CD1 4.07Å; F411-L454 HydrophobicContact CE2-CB 4.46Å; F411-L454 HydrophobicContact CE2-CD1 4.3Å; F411-L456 HydrophobicContact CE2-CD1 3.77Å; F411-L456 HydrophobicContact CZ-CD1 3.7Å; F411-V462 HydrophobicContact CD1-CG1 4.24Å; F411-V462 HydrophobicContact CE1-CB 4.13Å; F411-V462 HydrophobicContact CE1-CG1 3.88Å; F411-V462 HydrophobicContact CE1-CG2 4.44Å; F411-V462 HydrophobicContact CE2-CG1 4.34Å; F411-V462 HydrophobicContact CE2-CG2 4.35Å; F411-V462 HydrophobicContact CZ-CB 4.04Å; F411-V462 HydrophobicContact CZ-CG1 3.95Å; F411-V462 HydrophobicContact CZ-CG2 3.84Å; F411-F483 HydrophobicContact CB-CE2 4.25Å; F411-F483 AromaticContact CD1-CE2 3.85Å; F411-F483 HydrophobicContact CD1-CE2 3.85Å; F411-F483 AromaticContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CE1-CZ 4.38Å; F411-F483 HydrophobicContact CG-CE2 4.47Å; F411-S484 WeakPolarHBondContact CA-O 3.48Å
412S97.9Very high96.1Very high20 Ų2031.3 Ų31.314%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-133.6141.8173.7-166.60000109.5H414 T450 S484S412-H414 PolarHBondContact OG-NE2 2.76Å; S412-T450 WeakPolarHBondContact CA-O 3.23Å; S412-S484 PolarHBondContact N-O 3.44Å; S412-S484 PolarHBondContact O-N 3.25Å; S412-S484 VanDerWaalsContact O-O 3.09Å
413F97Very high95.9Very high0 Ų031.7 Ų31.70%016%0.162CC..EExtended strand (participates in β ladder)trans-136.3147.7167.556.2-95000110.9I415 A424 T436 S449 T450 M464 I482 F483F413-I415 HydrophobicContact CD2-CD1 3.97Å; F413-I415 HydrophobicContact CD2-CG1 4.25Å; F413-I415 HydrophobicContact CE2-CD1 4.39Å; F413-A424 HydrophobicContact CE2-CB 4.48Å; F413-T436 HydrophobicContact CE2-CG2 4.23Å; F413-T436 WeakPolarHBondContact CE2-OG1 3.35Å; F413-T436 WeakPolarHBondContact CZ-OG1 3.4Å; F413-S449 CarbonylContact O-C 3.46Å; F413-S449 WeakPolarHBondContact O-CA 3.32Å; F413-S449 WeakPolarHBondContact O-CB 3.37Å; F413-T450 HydrophobicContact CE1-CG2 4.32Å; F413-T450 HydrophobicContact CZ-CG2 4.2Å; F413-T450 PolarHBondContact N-O 3.16Å; F413-T450 PolarHBondContact O-N 2.99Å; F413-M464 HydrophobicContact CB-CE 3.8Å; F413-M464 HydrophobicContact CB-SD 3.47Å; F413-M464 WeakPolarHBondContact CB-SD 3.32Å; F413-M464 HydrophobicContact CD1-CE 3.52Å; F413-M464 HydrophobicContact CD1-SD 3.74Å; F413-M464 HydrophobicContact CD2-CE 3.42Å; F413-M464 VanDerWaalsContact CD2-CE 3.42Å; F413-M464 HydrophobicContact CD2-SD 4.29Å; F413-M464 HydrophobicContact CE1-CE 3.8Å; F413-M464 HydrophobicContact CE1-SD 4.48Å; F413-M464 HydrophobicContact CE2-CE 3.69Å; F413-M464 HydrophobicContact CG-CE 3.29Å; F413-M464 HydrophobicContact CG-SD 3.6Å; F413-M464 VanDerWaalsContact CG-SD 3.6Å; F413-M464 HydrophobicContact CZ-CE 3.84Å; F413-I482 CarbonylContact C-O 3.57Å; F413-I482 WeakPolarHBondContact CA-O 3.42Å; F413-I482 WeakPolarHBondContact CB-O 3.22Å; F413-F483 HydrophobicContact CB-CB 4.46Å; F413-F483 HydrophobicContact CB-CD2 4.12Å
414H97.3Very high95.7Very high83 Ų8331.7 Ų31.738%0.38416%0.162SC..EExtended strand (participates in β ladder)trans-132.3116.1178.8-58-93.4000106.3S412 A448 S449 S481 I482S412-H414 PolarHBondContact OG-NE2 2.76Å; H414-A448 CarbonylContact C-O 3.57Å; H414-S449 VanDerWaalsContact ND1-CB 3.31Å; H414-S449 WeakPolarHBondContact ND1-CB 3.47Å; H414-S481 CarbonylContact O-C 3.57Å; H414-S481 VanDerWaalsContact O-CA 3.32Å; H414-S481 WeakPolarHBondContact O-CA 3.34Å; H414-I482 PolarHBondContact N-O 3.38Å; H414-I482 PolarHBondContact O-N 2.82Å
415I96.5Very high95.6Very high1 Ų128.5 Ų28.51%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-119.7121.6-174.4-66.5173.5000108.1F413 V417 L422 A424 A448 M464 V473F413-I415 HydrophobicContact CD2-CD1 3.97Å; F413-I415 HydrophobicContact CD2-CG1 4.25Å; F413-I415 HydrophobicContact CE2-CD1 4.39Å; I415-V417 HydrophobicContact CG2-CG2 4.27Å; I415-V417 PolarHBondContact O-N 2.85Å; I415-L422 HydrophobicContact CB-CD2 3.89Å; I415-L422 HydrophobicContact CD1-CD2 3.97Å; I415-L422 HydrophobicContact CG2-CD1 4.21Å; I415-L422 HydrophobicContact CG2-CD2 3.63Å; I415-A424 HydrophobicContact CD1-CB 3.77Å; I415-A448 PolarHBondContact N-O 3.34Å; I415-A448 PolarHBondContact O-N 3.3Å; I415-M464 HydrophobicContact CD1-CE 3.69Å; I415-V473 HydrophobicContact CD1-CG2 4.5Å; I415-V473 HydrophobicContact CG2-CB 4.15Å; I415-V473 HydrophobicContact CG2-CG1 4Å; I415-V473 HydrophobicContact CG2-CG2 3.97Å
416T95.8Very high95.6Very high2 Ų226.1 Ų26.11%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-70.8124.4165.5-56.70000108.6I445 Q447 Y474 D479 D480 S481T416-I445 HydrophobicContact CG2-CG2 3.69Å; T416-Q447 PolarHBondContact OG1-NE2 2.67Å; T416-Y474 HydrophobicContact CG2-CD1 3.88Å; T416-Y474 WeakPolarHBondContact O-CB 3.31Å; T416-Y474 PolarHBondContact O-N 3.03Å; T416-D479 HydrophobicContact CG2-CB 4.19Å; T416-D480 PolarHBondContact OG1-O 3.46Å; T416-S481 PolarHBondContact N-OG 2.83Å
417V95.3Very high95.5Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-106.1124.3-178-1720000109.8I415 Q420 L422 D438 L440 I445 D446 A448 G472I415-V417 HydrophobicContact CG2-CG2 4.27Å; I415-V417 PolarHBondContact O-N 2.85Å; V417-Q420 WeakPolarHBondContact CG1-O 3.42Å; V417-L422 HydrophobicContact CG1-CB 3.87Å; V417-L422 HydrophobicContact CG2-CB 3.79Å; V417-L422 HydrophobicContact CG2-CD2 3.72Å; V417-L422 HydrophobicContact CG2-CG 4.33Å; V417-D438 HydrophobicContact CG2-CB 4.13Å; V417-L440 HydrophobicContact CG1-CB 4.18Å; V417-L440 HydrophobicContact CG1-CD1 4.49Å; V417-L440 HydrophobicContact CG1-CD2 4.35Å; V417-I445 WeakPolarHBondContact O-CA 3.38Å; V417-D446 HydrophobicContact CB-CB 4.34Å; V417-D446 PolarHBondContact N-O 3.27Å; V417-D446 PolarHBondContact O-N 3.5Å; V417-A448 HydrophobicContact CG2-CB 3.87Å; V417-G472 VanDerWaalsContact CA-O 3.3Å; V417-G472 WeakPolarHBondContact CA-O 3.25Å
418R92.8Very high95.5Very high80 Ų8024.5 Ų24.530%0.30212%0.121SC..EExtended strand (participates in β ladder)trans-146.8151.2-179-165.9173.9-179.5175.64.4112.1F374 Q420 L440 I445 G472 Y474F374-R418 WeakPolarHBondContact CE1-O 3.34Å; R418-Q420 PolarHBondContact O-N 3.29Å; R418-L440 VanDerWaalsContact C-CD2 3.45Å; R418-I445 HydrophobicContact CG-CG1 4.06Å; R418-G472 PolarHBondContact N-O 3.13Å; R418-Y474 HydrophobicContact CB-CD1 4.32Å; R418-Y474 HydrophobicContact CB-CD2 4.15Å; R418-Y474 HydrophobicContact CB-CG 3.83Å; R418-Y474 PolarHBondContact NH1-OH 3.48Å; R418-Y474 VanDerWaalsContact NH1-OH 3.08Å
419N89.1Confident95.4Very high98 Ų9826.8 Ų26.852%0.52413%0.132SC..EExtended strand (participates in β ladder)trans62.1-32.5177.1-66-10.8000116.9F374F374-N419 HydrophobicContact CE1-CB 4.2Å; F374-N419 HydrophobicContact CZ-CB 4.03Å
420Q89.8Confident95.2Very high88 Ų8829.1 Ų29.141%0.41116%0.155SC..EExtended strand (participates in β ladder)trans-141155.6-178.3-68.6-169.96.200109.4V417 R418 N471 G472V417-Q420 WeakPolarHBondContact CG1-O 3.42Å; R418-Q420 PolarHBondContact O-N 3.29Å; Q420-N471 PolarHBondContact OE1-OD1 3.46Å; Q420-G472 WeakPolarHBondContact O-CA 3.42Å
421P92.9Very high95Very high27 Ų2733.9 Ų33.918%0.17518%0.18CC..EExtended strand (participates in β ladder)trans-69.5159.2176.633.8-39.5000111.2D438 W470 N471 G472P421-D438 WeakPolarHBondContact CB-O 3.15Å; P421-W470 HydrophobicContact CB-CD2 3.72Å; P421-W470 HydrophobicContact CB-CE3 3.42Å; P421-W470 VanDerWaalsContact CB-CE3 3.42Å; P421-W470 HydrophobicContact CB-CG 4.39Å; P421-W470 HydrophobicContact CB-CH2 3.9Å; P421-W470 HydrophobicContact CB-CZ2 4.24Å; P421-W470 HydrophobicContact CB-CZ3 3.51Å; P421-W470 HydrophobicContact CG-CB 4.49Å; P421-W470 HydrophobicContact CG-CD2 3.5Å; P421-W470 VanDerWaalsContact CG-CD2 3.5Å; P421-W470 HydrophobicContact CG-CE3 3.78Å; P421-W470 HydrophobicContact CG-CG 3.84Å; P421-W470 HydrophobicContact CG-CH2 4.17Å; P421-W470 HydrophobicContact CG-CZ2 3.98Å; P421-W470 HydrophobicContact CG-CZ3 4.11Å; P421-W470 CarbonylContact O-C 3.51Å; P421-W470 WeakPolarHBondContact O-CA 3.45Å; P421-W470 WeakPolarHBondContact O-CB 3.32Å; P421-N471 PolarHBondContact O-N 3.29Å; P421-G472 PolarHBondContact O-N 3.12Å
422L94.4Very high94.8Very high0 Ų040.2 Ų40.20%020%0.204CC..EExtended strand (participates in β ladder)trans-108.3133.2-176.5179.670.9000111.5I415 V417 A424 R437 D438 A448 T466 V473I415-L422 HydrophobicContact CB-CD2 3.89Å; I415-L422 HydrophobicContact CD1-CD2 3.97Å; I415-L422 HydrophobicContact CG2-CD1 4.21Å; I415-L422 HydrophobicContact CG2-CD2 3.63Å; V417-L422 HydrophobicContact CG1-CB 3.87Å; V417-L422 HydrophobicContact CG2-CB 3.79Å; V417-L422 HydrophobicContact CG2-CD2 3.72Å; V417-L422 HydrophobicContact CG2-CG 4.33Å; L422-A424 HydrophobicContact CD1-CB 4.22Å; L422-A424 HydrophobicContact CD2-CB 4.25Å; L422-A424 HydrophobicContact CG-CB 4.25Å; L422-R437 VanDerWaalsContact O-CA 3.31Å; L422-R437 WeakPolarHBondContact O-CA 3.36Å; L422-D438 HydrophobicContact CB-CB 4.04Å; L422-D438 PolarHBondContact N-O 3.1Å; L422-D438 PolarHBondContact O-N 3.45Å; L422-A448 HydrophobicContact CD2-CB 3.55Å; L422-T466 HydrophobicContact CD1-CG2 4.45Å; L422-V473 HydrophobicContact CD1-CG2 3.41Å; L422-V473 VanDerWaalsContact CD1-CG2 3.41Å
423R94.1Very high94.6Very high53 Ų5344.9 Ų44.920%0.222%0.221CC..EExtended strand (participates in β ladder)trans-128.1105.6156.6-75.4165.3-178.4-1716.1108.2T436 R437 T466 F467 W470R423-T436 WeakPolarHBondContact CA-O 3.3Å; R423-R437 HydrophobicContact CG-CB 4.43Å; R423-R437 HydrophobicContact CG-CG 4.16Å; R423-T466 WeakPolarHBondContact O-CA 3.16Å; R423-F467 HydrophobicContact CB-CB 4Å; R423-F467 HydrophobicContact CB-CD2 3.76Å; R423-F467 HydrophobicContact CB-CG 4.11Å; R423-F467 PolarHBondContact O-N 3.1Å; R423-F467 VanDerWaalsContact O-N 3.11Å; R423-W470 HydrophobicContact CB-CB 3.79Å; R423-W470 HydrophobicContact CG-CB 3.76Å; R423-W470 HydrophobicContact CG-CD2 3.88Å; R423-W470 HydrophobicContact CG-CE3 3.58Å; R423-W470 HydrophobicContact CG-CG 3.97Å; R423-W470 PolarHBondContact N-O 3.37Å; R423-W470 VanDerWaalsContact NE-CD2 3.3Å
424A94Very high94.5Very high0 Ų046.3 Ų46.30%023%0.23CC..EExtended strand (participates in β ladder)trans-107.9150.517400000110F413 I415 L422 R435 T436 M464 E465F413-A424 HydrophobicContact CE2-CB 4.48Å; I415-A424 HydrophobicContact CD1-CB 3.77Å; L422-A424 HydrophobicContact CD1-CB 4.22Å; L422-A424 HydrophobicContact CD2-CB 4.25Å; L422-A424 HydrophobicContact CG-CB 4.25Å; A424-R435 WeakPolarHBondContact O-CA 3.21Å; A424-T436 PolarHBondContact N-O 3Å; A424-T436 PolarHBondContact O-N 3.5Å; A424-M464 HydrophobicContact CB-CE 4Å; A424-E465 CarbonylContact C-O 3.59Å; A424-E465 WeakPolarHBondContact CA-O 3.32Å
425T94.7Very high94.2Very high2 Ų249 Ų491%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-139.4140.4174-172.60000111.2V427 R432 V434 M464 E465 F467T425-V427 HydrophobicContact CG2-CG2 3.89Å; T425-R432 HydrophobicContact CG2-CG 3.92Å; T425-V434 CarbonylContact C-O 3.55Å; T425-V434 WeakPolarHBondContact CA-O 3.3Å; T425-V434 VanDerWaalsContact CB-O 3.31Å; T425-V434 WeakPolarHBondContact CB-O 3.38Å; T425-V434 PolarHBondContact OG1-O 3.18Å; T425-M464 WeakPolarHBondContact O-CA 3.44Å; T425-E465 HydrophobicContact CG2-CB 4.05Å; T425-E465 PolarHBondContact N-O 3.01Å; T425-E465 PolarHBondContact O-N 3.1Å; T425-F467 HydrophobicContact CG2-CE2 3.79Å; T425-F467 HydrophobicContact CG2-CZ 4.45Å
426L96.8Very high94.1Very high0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-85.9127.1167-168.276.1000108.5F411 K433 V434 V452 L454 V462 M464 F483F411-L426 HydrophobicContact CB-CD2 4.09Å; F411-L426 HydrophobicContact CD2-CD2 4.38Å; F411-L426 HydrophobicContact CG-CD2 4.27Å; L426-K433 PolarHBondContact O-N 3.08Å; L426-V434 HydrophobicContact CB-CB 4.15Å; L426-V434 PolarHBondContact N-O 3.11Å; L426-V434 PolarHBondContact O-N 3.41Å; L426-V452 HydrophobicContact CD2-CG1 3.5Å; L426-V452 VanDerWaalsContact CD2-CG1 3.5Å; L426-L454 HydrophobicContact CD2-CD1 3.7Å; L426-V462 HydrophobicContact CD1-CG1 3.72Å; L426-V462 HydrophobicContact CD2-CG1 4.23Å; L426-V462 HydrophobicContact CG-CG1 3.95Å; L426-M464 HydrophobicContact CD1-CG 4.01Å; L426-F483 HydrophobicContact CD1-CE2 3.63Å; L426-F483 HydrophobicContact CD1-CZ 3.61Å
427V96.8Very high94Very high1 Ų156.6 Ų56.61%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-115.1134.9-176.1-172.20000109T425 G430 L431 R432 V462 W463 E465T425-V427 HydrophobicContact CG2-CG2 3.89Å; V427-G430 VanDerWaalsContact CG1-CA 3.42Å; V427-L431 WeakPolarHBondContact CA-O 3.23Å; V427-R432 HydrophobicContact CG2-CG 4.06Å; V427-V462 VanDerWaalsContact O-CA 3.28Å; V427-V462 WeakPolarHBondContact O-CA 3.44Å; V427-W463 HydrophobicContact CB-CD2 3.99Å; V427-W463 HydrophobicContact CB-CG 4.38Å; V427-W463 HydrophobicContact CB-CZ2 3.99Å; V427-W463 HydrophobicContact CG1-CD2 4.25Å; V427-W463 HydrophobicContact CG1-CH2 3.83Å; V427-W463 HydrophobicContact CG1-CZ2 3.38Å; V427-W463 HydrophobicContact CG1-CZ3 4.36Å; V427-W463 PolarHBondContact N-O 2.9Å; V427-W463 PolarHBondContact O-N 3.24Å; V427-E465 HydrophobicContact CG2-CB 4.39Å; V427-E465 HydrophobicContact CG2-CG 3.87Å
428V97.6Very high94Very high10 Ų1057.6 Ų57.66%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-123.2117.6173.5-177.10000108.2G430 L431 K433 L454 L456 D460 Q461 V462V428-G430 PolarHBondContact O-N 3.34Å; V428-G430 VanDerWaalsContact O-N 3.16Å; V428-L431 PolarHBondContact N-O 2.76Å; V428-L431 WeakPolarHBondContact O-CB 3.39Å; V428-L431 PolarHBondContact O-N 3.32Å; V428-K433 HydrophobicContact CB-CG 3.93Å; V428-K433 HydrophobicContact CG2-CB 4.47Å; V428-K433 HydrophobicContact CG2-CG 3.59Å; V428-L454 HydrophobicContact CG2-CD1 3.9Å; V428-L456 HydrophobicContact CG1-CD2 3.94Å; V428-L456 HydrophobicContact CG2-CD2 4.49Å; V428-D460 HydrophobicContact CG1-CB 4.47Å; V428-Q461 CarbonylContact C-O 3.57Å; V428-Q461 VanDerWaalsContact CA-O 3.3Å; V428-Q461 WeakPolarHBondContact CA-O 3.19Å; V428-V462 HydrophobicContact CG1-CG2 4.36Å; V428-V462 HydrophobicContact CG2-CG1 4.27Å; V428-V462 HydrophobicContact CG2-CG2 4.05Å
429N95.8Very high93.9Very high84 Ų8455.7 Ų55.745%0.44927%0.271SS..THydrogen-bonded Turntrans49.638.6-177.2-61.8-22.1000113.6L431 D460 Q461N429-L431 VanDerWaalsContact C-N 3.25Å; N429-L431 PolarHBondContact O-N 3.01Å; N429-D460 PolarHBondContact ND2-OD1 2.89Å; N429-D460 WeakPolarHBondContact OD1-CA 3.49Å; N429-Q461 PolarHBondContact N-O 3.41Å; N429-Q461 PolarHBondContact OD1-N 3.43Å
430G93.5Very high93.7Very high48 Ų4852.1 Ų52.150%0.49525%0.252SS..THydrogen-bonded Turntrans83.2-8-178.500000114.7V427 V428V427-G430 VanDerWaalsContact CG1-CA 3.42Å; V428-G430 PolarHBondContact O-N 3.34Å; V428-G430 VanDerWaalsContact O-N 3.16Å
431L94.9Very high93.1Very high113 Ų11356.6 Ų56.659%0.59227%0.266SS*.EExtended strand (participates in β ladder)trans-91.3120.8175.7-60.1176.1000110.5V427 V428 N429 K433V427-L431 WeakPolarHBondContact CA-O 3.23Å; V428-L431 PolarHBondContact N-O 2.76Å; V428-L431 WeakPolarHBondContact O-CB 3.39Å; V428-L431 PolarHBondContact O-N 3.32Å; N429-L431 VanDerWaalsContact C-N 3.25Å; N429-L431 PolarHBondContact O-N 3.01Å; L431-K433 PolarHBondContact O-N 2.99Å
432R94.3Very high92.2Very high134 Ų13458.6 Ų58.651%0.50629%0.292SS..EExtended strand (participates in β ladder)trans-69.2113.8175.3-67173.6176.5168.8-1.7109.5T425 V427 E465 F467T425-R432 HydrophobicContact CG2-CG 3.92Å; V427-R432 HydrophobicContact CG2-CG 4.06Å; R432-E465 IonicContact NE-OE2 3.96Å; R432-E465 IonicContact NH2-OE2 3.57Å; R432-F467 VanDerWaalsContact NH1-CZ 3.35Å
433K93.8Very high91.4Very high118 Ų11867 Ų6751%0.51333%0.332SS..EExtended strand (participates in β ladder)trans-96.8-43.6-176.3-67.1-61.2-172.91720112.8L426 V428 L431L426-K433 PolarHBondContact O-N 3.08Å; V428-K433 HydrophobicContact CB-CG 3.93Å; V428-K433 HydrophobicContact CG2-CB 4.47Å; V428-K433 HydrophobicContact CG2-CG 3.59Å; L431-K433 PolarHBondContact O-N 2.99Å
434V93.7Very high91.1Very high30 Ų3069.7 Ų69.718%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-130.1138.8-177-177.80000108.8T425 L426 T450 V452T425-V434 CarbonylContact C-O 3.55Å; T425-V434 WeakPolarHBondContact CA-O 3.3Å; T425-V434 VanDerWaalsContact CB-O 3.31Å; T425-V434 WeakPolarHBondContact CB-O 3.38Å; T425-V434 PolarHBondContact OG1-O 3.18Å; L426-V434 HydrophobicContact CB-CB 4.15Å; L426-V434 PolarHBondContact N-O 3.11Å; L426-V434 PolarHBondContact O-N 3.41Å; V434-T450 HydrophobicContact CG1-CG2 3.69Å; V434-V452 HydrophobicContact CG2-CB 3.9Å; V434-V452 HydrophobicContact CG2-CG1 4.03Å; V434-V452 HydrophobicContact CG2-CG2 3.63Å
435R92.9Very high90.9Very high139 Ų13973.7 Ų73.753%0.52537%0.37SS..EExtended strand (participates in β ladder)trans-126128.5177.6-174178.7-179177.3-1109.5A424A424-R435 WeakPolarHBondContact O-CA 3.21Å
436T93.7Very high90.9Very high15 Ų1577.1 Ų77.19%0.09239%0.389CS..EExtended strand (participates in β ladder)trans-115.4132.9176.1-53.60000108F413 R423 A424 A448 T450F413-T436 HydrophobicContact CE2-CG2 4.23Å; F413-T436 WeakPolarHBondContact CE2-OG1 3.35Å; F413-T436 WeakPolarHBondContact CZ-OG1 3.4Å; R423-T436 WeakPolarHBondContact CA-O 3.3Å; A424-T436 PolarHBondContact N-O 3Å; A424-T436 PolarHBondContact O-N 3.5Å; T436-A448 HydrophobicContact CG2-CB 4.2Å; T436-T450 WeakPolarHBondContact CG2-OG1 3.24Å; T436-T450 PolarHBondContact OG1-OG1 3Å
437R93.9Very high90.9Very high148 Ų14881.9 Ų81.956%0.55841%0.411SS*.EExtended strand (participates in β ladder)trans-126.2132.2178.4179.4-178.6171.4-176.8-7.7108.3L422 R423 W470L422-R437 VanDerWaalsContact O-CA 3.31Å; L422-R437 WeakPolarHBondContact O-CA 3.36Å; R423-R437 HydrophobicContact CG-CB 4.43Å; R423-R437 HydrophobicContact CG-CG 4.16Å; R437-W470 HydrophobicContact CG-CE3 4.04Å; R437-W470 HydrophobicContact CG-CZ3 3.62Å; R437-W470 VanDerWaalsContact NE-CH2 3.28Å
438D93.9Very high90.8Very high21 Ų2182.1 Ų82.111%0.11241%0.413CS..EExtended strand (participates in β ladder)trans-130.1132.8171.8-158.6-25.2000109V417 P421 L422 A448 W470V417-D438 HydrophobicContact CG2-CB 4.13Å; P421-D438 WeakPolarHBondContact CB-O 3.15Å; L422-D438 HydrophobicContact CB-CB 4.04Å; L422-D438 PolarHBondContact N-O 3.1Å; L422-D438 PolarHBondContact O-N 3.45Å; D438-A448 HydrophobicContact CB-CB 3.94Å; D438-W470 WeakPolarHBondContact O-CZ3 3.37Å
439S90.8Very high90.7Very high41 Ų4185.1 Ų85.129%0.28743%0.434SS..  trans-106.6109.8-177.7-540000108
440L86.6Confident90.8Very high22 Ų2282.7 Ų82.712%0.11542%0.423CS..  trans-98.5136.1178.2-164.477.7000110.4V417 R418 D444 D446V417-L440 HydrophobicContact CG1-CB 4.18Å; V417-L440 HydrophobicContact CG1-CD1 4.49Å; V417-L440 HydrophobicContact CG1-CD2 4.35Å; R418-L440 VanDerWaalsContact C-CD2 3.45Å; L440-D444 HydrophobicContact CD1-CB 4.21Å; L440-D444 WeakPolarHBondContact CD2-O 3.48Å; L440-D446 HydrophobicContact CD1-CB 3.81Å
441Y76.2Confident90.9Very high182 Ų18285.7 Ų85.771%0.71443%0.427SS*.  trans-118.9138.8175.2-62.7-83.6000110.1
442G74.8Confident91.1Very high70 Ų7081 Ų8172%0.72240%0.403SS*.THydrogen-bonded Turntrans66.9-139.4175.100000114.3
443Q77.7Confident91.2Very high177 Ų17778.5 Ų78.583%0.82740%0.402SS*.THydrogen-bonded Turntrans-101.214-178-68.8-173.1-3.300113.1
444D86.4Confident91.4Very high108 Ų10874.3 Ų74.358%0.57839%0.385SS*.  trans-67.7162.4-176.1-63.2-22.6000111.6L440L440-D444 HydrophobicContact CD1-CB 4.21Å; L440-D444 WeakPolarHBondContact CD2-O 3.48Å
445I91.3Very high91.6Very high84 Ų8481.4 Ų81.443%0.43141%0.409SS..EExtended strand (participates in β ladder)trans-118.6129.7171.1-60.6175.6000106.5T416 V417 R418T416-I445 HydrophobicContact CG2-CG2 3.69Å; V417-I445 WeakPolarHBondContact O-CA 3.38Å; R418-I445 HydrophobicContact CG-CG1 4.06Å
446D94.9Very high91.9Very high74 Ų7475 Ų7540%0.39639%0.385SS..EExtended strand (participates in β ladder)trans-124.5171.5177.5-149.7-14.2000111.6V417 L440V417-D446 HydrophobicContact CB-CB 4.34Å; V417-D446 PolarHBondContact N-O 3.27Å; V417-D446 PolarHBondContact O-N 3.5Å; L440-D446 HydrophobicContact CD1-CB 3.81Å
447Q95.3Very high92.1Very high101 Ų10176.8 Ų76.847%0.47240%0.401SS..EExtended strand (participates in β ladder)trans-129.3105.9-178.8-71.9-65.4-36.200111.1T416T416-Q447 PolarHBondContact OG1-NE2 2.67Å
448A95.5Very high92.2Very high6 Ų672.9 Ų72.95%0.0540%0.4CS..EExtended strand (participates in β ladder)trans-92.5125.1173.800000110H414 I415 V417 L422 T436 D438H414-A448 CarbonylContact C-O 3.57Å; I415-A448 PolarHBondContact N-O 3.34Å; I415-A448 PolarHBondContact O-N 3.3Å; V417-A448 HydrophobicContact CG2-CB 3.87Å; L422-A448 HydrophobicContact CD2-CB 3.55Å; T436-A448 HydrophobicContact CG2-CB 4.2Å; D438-A448 HydrophobicContact CB-CB 3.94Å
449S96.1Very high92.4Very high72 Ų7274.1 Ų74.150%0.50342%0.418SS..EExtended strand (participates in β ladder)trans-134.3153.2174.763.10000112.7F413 H414F413-S449 CarbonylContact O-C 3.46Å; F413-S449 WeakPolarHBondContact O-CA 3.32Å; F413-S449 WeakPolarHBondContact O-CB 3.37Å; H414-S449 VanDerWaalsContact ND1-CB 3.31Å; H414-S449 WeakPolarHBondContact ND1-CB 3.47Å
450T96.5Very high92.7Very high34 Ų3473.7 Ų73.721%0.20941%0.412CS..EExtended strand (participates in β ladder)trans-154140.5176.2-60.40000109.9S412 F413 V434 T436S412-T450 WeakPolarHBondContact CA-O 3.23Å; F413-T450 HydrophobicContact CE1-CG2 4.32Å; F413-T450 HydrophobicContact CZ-CG2 4.2Å; F413-T450 PolarHBondContact N-O 3.16Å; F413-T450 PolarHBondContact O-N 2.99Å; V434-T450 HydrophobicContact CG1-CG2 3.69Å; T436-T450 WeakPolarHBondContact CG2-OG1 3.24Å; T436-T450 PolarHBondContact OG1-OG1 3Å
451L96.9Very high93.3Very high110 Ų11076.7 Ų76.758%0.57643%0.426SS*.EExtended strand (participates in β ladder)trans-120.2135.8172.8-176.8149000108.8V410 F411 V453V410-L451 HydrophobicContact CG1-CD1 4.05Å; V410-L451 HydrophobicContact CG1-CD2 4.12Å; V410-L451 HydrophobicContact CG1-CG 3.95Å; F411-L451 CarbonylContact O-C 3.49Å; F411-L451 WeakPolarHBondContact O-CA 3.35Å; L451-V453 HydrophobicContact CD2-CG2 4.49Å
452V97.3Very high94.3Very high15 Ų1568 Ų689%0.09139%0.392CS..EExtended strand (participates in β ladder)trans-139.2143.9177.163.90000110.9V410 F411 L426 V434 L454V410-V452 WeakPolarHBondContact CA-O 3.28Å; F411-V452 HydrophobicContact CB-CG1 3.97Å; F411-V452 PolarHBondContact N-O 3.42Å; F411-V452 PolarHBondContact O-N 3.21Å; L426-V452 HydrophobicContact CD2-CG1 3.5Å; L426-V452 VanDerWaalsContact CD2-CG1 3.5Å; V434-V452 HydrophobicContact CG2-CB 3.9Å; V434-V452 HydrophobicContact CG2-CG1 4.03Å; V434-V452 HydrophobicContact CG2-CG2 3.63Å; V452-L454 HydrophobicContact CG1-CD1 4.26Å; V452-L454 HydrophobicContact CG1-CG 4.27Å; V452-L454 HydrophobicContact CG2-CD2 3.83Å; V452-L454 HydrophobicContact CG2-CG 3.93Å
453V98.1Very high95.4Very high81 Ų8166.2 Ų66.249%0.49136%0.363SS..EExtended strand (participates in β ladder)trans-104.6125.5171.9-173.20000108.5V408 Y409 V410 L451V408-V453 HydrophobicContact CG1-CG1 3.31Å; Y409-V453 CarbonylContact O-C 3.52Å; Y409-V453 WeakPolarHBondContact O-CA 3.35Å; V410-V453 HydrophobicContact CG2-CG2 4.28Å; L451-V453 HydrophobicContact CD2-CG2 4.49Å
454L97.3Very high96.3Very high30 Ų3057.8 Ų57.816%0.15732%0.324CS..EExtended strand (participates in β ladder)trans-131.6136.2-178.1-64.1176.1000110Y409 F411 L426 V428 V452 L456Y409-L454 PolarHBondContact N-O 3.14Å; Y409-L454 PolarHBondContact O-N 3.28Å; F411-L454 HydrophobicContact CD2-CD1 4.07Å; F411-L454 HydrophobicContact CE2-CB 4.46Å; F411-L454 HydrophobicContact CE2-CD1 4.3Å; L426-L454 HydrophobicContact CD2-CD1 3.7Å; V428-L454 HydrophobicContact CG2-CD1 3.9Å; V452-L454 HydrophobicContact CG1-CD1 4.26Å; V452-L454 HydrophobicContact CG1-CG 4.27Å; V452-L454 HydrophobicContact CG2-CD2 3.83Å; V452-L454 HydrophobicContact CG2-CG 3.93Å; L454-L456 HydrophobicContact CB-CD2 4.28Å
455R97.7Very high96.7Very high180 Ų18053.8 Ų53.868%0.67930%0.302SS*.EExtended strand (participates in β ladder)trans-84.6127.8164.6-167176.9-172-179.73.2108.8G407 D491G407-R455 CarbonylContact O-C 3.38Å; G407-R455 WeakPolarHBondContact O-CA 3.44Å; R455-D491 IonicContact CZ-OD1 3.37Å; R455-D491 IonicContact NE-OD1 3.78Å; R455-D491 PolarHBondContact NE-OD1 3.21Å; R455-D491 VanDerWaalsContact NE-OD1 3.14Å; R455-D491 IonicContact NE-OD2 3.14Å; R455-D491 IonicContact NH2-OD1 2.8Å; R455-D491 PolarHBondContact NH2-OD1 2.74Å; R455-D491 IonicContact NH2-OD2 3.53Å
456L98.2Very high96.8Very high5 Ų549.8 Ų49.83%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-121.7144.2-178.4-60.7-177.7000110.6F401 C403 P406 G407 Y409 F411 V428 L454 D460 V462F401-L456 HydrophobicContact CE1-CD1 4.18Å; C403-L456 HydrophobicContact CB-CB 4.11Å; C403-L456 HydrophobicContact CB-CD1 4.16Å; P406-L456 WeakPolarHBondContact CA-O 3.34Å; G407-L456 PolarHBondContact N-O 3.12Å; G407-L456 PolarHBondContact O-N 2.95Å; Y409-L456 HydrophobicContact CD2-CB 3.98Å; Y409-L456 HydrophobicContact CD2-CD1 3.76Å; Y409-L456 HydrophobicContact CD2-CG 4Å; Y409-L456 HydrophobicContact CE2-CB 4.25Å; Y409-L456 HydrophobicContact CE2-CD1 4.28Å; Y409-L456 HydrophobicContact CG-CD1 3.96Å; F411-L456 HydrophobicContact CE2-CD1 3.77Å; F411-L456 HydrophobicContact CZ-CD1 3.7Å; V428-L456 HydrophobicContact CG1-CD2 3.94Å; V428-L456 HydrophobicContact CG2-CD2 4.49Å; L454-L456 HydrophobicContact CB-CD2 4.28Å; L456-D460 HydrophobicContact CB-CB 4.34Å; L456-D460 HydrophobicContact CD2-CB 4.31Å; L456-V462 HydrophobicContact CD1-CG2 3.7Å; L456-V462 HydrophobicContact CD2-CG2 4.13Å
457A98Very high96.4Very high52 Ų5248.1 Ų48.143%0.4327%0.271SS..  trans-90.3156.6168.600000110.6C403 G459 D460C403-A457 WeakPolarHBondContact CB-O 3.2Å; C403-A457 PolarHBondContact SG-O 3.35Å; A457-G459 PolarHBondContact O-N 3.22Å; A457-D460 PolarHBondContact N-OD2 3.41Å; A457-D460 WeakPolarHBondContact O-CB 3.33Å; A457-D460 PolarHBondContact O-N 3.42Å; A457-D460 VanDerWaalsContact O-N 3.08Å
458A97.5Very high95.6Very high66 Ų6653 Ų5355%0.54528%0.284SS..THydrogen-bonded Turntrans-58.5129.2173.900000110.5
459G97Very high94.9Very high46 Ų4658.8 Ų58.847%0.47432%0.315SS..THydrogen-bonded Turntrans95.3-11.8-176.300000114.8C403 A457 Q461C403-G459 PolarHBondContact O-N 3.47Å; A457-G459 PolarHBondContact O-N 3.22Å; G459-Q461 PolarHBondContact O-N 3.27Å
460D98.2Very high94.5Very high33 Ų3357.7 Ų57.718%0.17630%0.3CS..  trans-61.2133.8176-75-13.2000111C403 V428 N429 L456 A457C403-D460 HydrophobicContact CB-CB 4.13Å; C403-D460 WeakPolarHBondContact CB-O 3.38Å; C403-D460 PolarHBondContact N-O 3.02Å; V428-D460 HydrophobicContact CG1-CB 4.47Å; N429-D460 PolarHBondContact ND2-OD1 2.89Å; N429-D460 WeakPolarHBondContact OD1-CA 3.49Å; L456-D460 HydrophobicContact CB-CB 4.34Å; L456-D460 HydrophobicContact CD2-CB 4.31Å; A457-D460 PolarHBondContact N-OD2 3.41Å; A457-D460 WeakPolarHBondContact O-CB 3.33Å; A457-D460 PolarHBondContact O-N 3.42Å; A457-D460 VanDerWaalsContact O-N 3.08Å
461Q98Very high94.1Very high85 Ų8557.3 Ų57.340%0.39730%0.296SS..EExtended strand (participates in β ladder)trans-103.6132.9176.1-68.2-176.324.500110.9F401 V428 N429 G459 W463F401-Q461 CarbonylContact O-C 3.09Å; F401-Q461 VanDerWaalsContact O-CA 3.26Å; F401-Q461 WeakPolarHBondContact O-CA 3.32Å; V428-Q461 CarbonylContact C-O 3.57Å; V428-Q461 VanDerWaalsContact CA-O 3.3Å; V428-Q461 WeakPolarHBondContact CA-O 3.19Å; N429-Q461 PolarHBondContact N-O 3.41Å; N429-Q461 PolarHBondContact OD1-N 3.43Å; G459-Q461 PolarHBondContact O-N 3.27Å; Q461-W463 HydrophobicContact CB-CE3 4.2Å; Q461-W463 HydrophobicContact CB-CZ3 3.94Å
462V98.1Very high93.9Very high0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-125.1129.7-179.6-171.50000110.5S400 F401 F411 L426 V427 V428 L456 F483S400-V462 WeakPolarHBondContact CA-O 3.35Å; F401-V462 HydrophobicContact CB-CB 4.4Å; F401-V462 HydrophobicContact CD1-CB 4.24Å; F401-V462 HydrophobicContact CD1-CG2 4.22Å; F401-V462 PolarHBondContact N-O 3.32Å; F401-V462 PolarHBondContact O-N 3.39Å; F411-V462 HydrophobicContact CD1-CG1 4.24Å; F411-V462 HydrophobicContact CE1-CB 4.13Å; F411-V462 HydrophobicContact CE1-CG1 3.88Å; F411-V462 HydrophobicContact CE1-CG2 4.44Å; F411-V462 HydrophobicContact CE2-CG1 4.34Å; F411-V462 HydrophobicContact CE2-CG2 4.35Å; F411-V462 HydrophobicContact CZ-CB 4.04Å; F411-V462 HydrophobicContact CZ-CG1 3.95Å; F411-V462 HydrophobicContact CZ-CG2 3.84Å; L426-V462 HydrophobicContact CD1-CG1 3.72Å; L426-V462 HydrophobicContact CD2-CG1 4.23Å; L426-V462 HydrophobicContact CG-CG1 3.95Å; V427-V462 VanDerWaalsContact O-CA 3.28Å; V427-V462 WeakPolarHBondContact O-CA 3.44Å; V428-V462 HydrophobicContact CG1-CG2 4.36Å; V428-V462 HydrophobicContact CG2-CG1 4.27Å; V428-V462 HydrophobicContact CG2-CG2 4.05Å; L456-V462 HydrophobicContact CD1-CG2 3.7Å; L456-V462 HydrophobicContact CD2-CG2 4.13Å; V462-F483 HydrophobicContact CG1-CZ 4.4Å
463W97.6Very high93.7Very high31 Ų3151.4 Ų51.412%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-149.7173.617666.996.2000111.5P380 N399 V427 Q461 E465P380-W463 HydrophobicContact CB-CB 4.35Å; P380-W463 HydrophobicContact CB-CG 4.2Å; P380-W463 HydrophobicContact CG-CG 4.15Å; N399-W463 WeakPolarHBondContact O-CB 3.13Å; V427-W463 HydrophobicContact CB-CD2 3.99Å; V427-W463 HydrophobicContact CB-CG 4.38Å; V427-W463 HydrophobicContact CB-CZ2 3.99Å; V427-W463 HydrophobicContact CG1-CD2 4.25Å; V427-W463 HydrophobicContact CG1-CH2 3.83Å; V427-W463 HydrophobicContact CG1-CZ2 3.38Å; V427-W463 HydrophobicContact CG1-CZ3 4.36Å; V427-W463 PolarHBondContact N-O 2.9Å; V427-W463 PolarHBondContact O-N 3.24Å; Q461-W463 HydrophobicContact CB-CE3 4.2Å; Q461-W463 HydrophobicContact CB-CZ3 3.94Å; W463-E465 VanDerWaalsContact CD1-CG 3.47Å; W463-E465 VanDerWaalsContact NE1-CG 3.26Å; W463-E465 PolarHBondContact NE1-OE1 2.99Å
464M96.4Very high93.6Very high1 Ų149.4 Ų49.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-109.6144.3174-66.3-168.76900111.5P380 I381 F383 F413 I415 A424 T425 L426 F483P380-M464 CarbonylContact C-O 3.5Å; P380-M464 WeakPolarHBondContact CA-O 3.31Å; I381-M464 HydrophobicContact CD1-CB 3.83Å; I381-M464 HydrophobicContact CG1-CB 4.35Å; I381-M464 PolarHBondContact N-O 3.41Å; F383-M464 HydrophobicContact CE2-CB 4.16Å; F383-M464 HydrophobicContact CE2-CG 4.48Å; F383-M464 HydrophobicContact CE2-SD 4.4Å; F383-M464 HydrophobicContact CZ-CB 4.41Å; F383-M464 HydrophobicContact CZ-SD 3.95Å; F413-M464 HydrophobicContact CB-CE 3.8Å; F413-M464 HydrophobicContact CB-SD 3.47Å; F413-M464 WeakPolarHBondContact CB-SD 3.32Å; F413-M464 HydrophobicContact CD1-CE 3.52Å; F413-M464 HydrophobicContact CD1-SD 3.74Å; F413-M464 HydrophobicContact CD2-CE 3.42Å; F413-M464 VanDerWaalsContact CD2-CE 3.42Å; F413-M464 HydrophobicContact CD2-SD 4.29Å; F413-M464 HydrophobicContact CE1-CE 3.8Å; F413-M464 HydrophobicContact CE1-SD 4.48Å; F413-M464 HydrophobicContact CE2-CE 3.69Å; F413-M464 HydrophobicContact CG-CE 3.29Å; F413-M464 HydrophobicContact CG-SD 3.6Å; F413-M464 VanDerWaalsContact CG-SD 3.6Å; F413-M464 HydrophobicContact CZ-CE 3.84Å; I415-M464 HydrophobicContact CD1-CE 3.69Å; A424-M464 HydrophobicContact CB-CE 4Å; T425-M464 WeakPolarHBondContact O-CA 3.44Å; L426-M464 HydrophobicContact CD1-CG 4.01Å; M464-F483 HydrophobicContact CG-CD1 4.08Å; M464-F483 HydrophobicContact CG-CD2 4.04Å; M464-F483 HydrophobicContact CG-CE1 4.15Å; M464-F483 HydrophobicContact CG-CE2 4.12Å; M464-F483 HydrophobicContact CG-CG 4.03Å; M464-F483 HydrophobicContact CG-CZ 4.18Å; M464-F483 HydrophobicContact SD-CB 3.87Å; M464-F483 HydrophobicContact SD-CD1 4.31Å; M464-F483 HydrophobicContact SD-CD2 3.67Å; M464-F483 HydrophobicContact SD-CE2 4.28Å; M464-F483 HydrophobicContact SD-CG 3.7Å
465E94.7Very high93.4Very high23 Ų2348 Ų4811%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-131.5152.8173.3-59.2-177.7170.200111A424 T425 V427 R432 W463A424-E465 CarbonylContact C-O 3.59Å; A424-E465 WeakPolarHBondContact CA-O 3.32Å; T425-E465 HydrophobicContact CG2-CB 4.05Å; T425-E465 PolarHBondContact N-O 3.01Å; T425-E465 PolarHBondContact O-N 3.1Å; V427-E465 HydrophobicContact CG2-CB 4.39Å; V427-E465 HydrophobicContact CG2-CG 3.87Å; R432-E465 IonicContact NE-OE2 3.96Å; R432-E465 IonicContact NH2-OE2 3.57Å; W463-E465 VanDerWaalsContact CD1-CG 3.47Å; W463-E465 VanDerWaalsContact NE1-CG 3.26Å; W463-E465 PolarHBondContact NE1-OE1 2.99Å
466T92.9Very high93.1Very high0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-104.2154.816659.10000111.5P375 G378 I381 L422 R423 V473P375-T466 HydrophobicContact CG-CG2 4.33Å; G378-T466 PolarHBondContact N-O 3.21Å; G378-T466 VanDerWaalsContact N-O 3.1Å; I381-T466 HydrophobicContact CD1-CG2 3.69Å; I381-T466 HydrophobicContact CG1-CG2 4.05Å; L422-T466 HydrophobicContact CD1-CG2 4.45Å; R423-T466 WeakPolarHBondContact O-CA 3.16Å; T466-V473 HydrophobicContact CG2-CG2 3.51Å
467F87.7Confident92.8Very high40 Ų4045.2 Ų45.218%0.17525%0.25CS..EExtended strand (participates in β ladder)trans-86151173.3-74-107.3000111.3R423 T425 R432 D469 W470R423-F467 HydrophobicContact CB-CB 4Å; R423-F467 HydrophobicContact CB-CD2 3.76Å; R423-F467 HydrophobicContact CB-CG 4.11Å; R423-F467 PolarHBondContact O-N 3.1Å; R423-F467 VanDerWaalsContact O-N 3.11Å; T425-F467 HydrophobicContact CG2-CE2 3.79Å; T425-F467 HydrophobicContact CG2-CZ 4.45Å; R432-F467 VanDerWaalsContact NH1-CZ 3.35Å; F467-D469 VanDerWaalsContact C-N 3.26Å; F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.15Å; F467-W470 CarbonylContact O-C 3.56Å; F467-W470 PolarHBondContact O-N 3.06Å
468R78.1Confident92.4Very high202 Ų20251 Ų5176%0.76227%0.268SS*.EExtended strand (participates in β ladder)trans-49.2-44.1-175.4-83.3-174.2-178.5-175.72.6114.7S377S377-R468 VanDerWaalsContact CB-CA 3.44Å; S377-R468 WeakPolarHBondContact OG-CA 3.48Å; S377-R468 WeakPolarHBondContact OG-CG 3.45Å
469D80.6Confident92.1Very high128 Ų12849.9 Ų49.968%0.68425%0.253SS*.EExtended strand (participates in β ladder)trans-92.4-12.2-168.3-47.4-38.6000112.7F467F467-D469 VanDerWaalsContact C-N 3.26Å; F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.15Å
470W87.1Confident92.1Very high49 Ų4950.2 Ų50.219%0.18624%0.244CC..EExtended strand (participates in β ladder)trans-139.872.4-167.2-74.945.7000109.3P421 R423 R437 D438 F467P421-W470 HydrophobicContact CB-CD2 3.72Å; P421-W470 HydrophobicContact CB-CE3 3.42Å; P421-W470 VanDerWaalsContact CB-CE3 3.42Å; P421-W470 HydrophobicContact CB-CG 4.39Å; P421-W470 HydrophobicContact CB-CH2 3.9Å; P421-W470 HydrophobicContact CB-CZ2 4.24Å; P421-W470 HydrophobicContact CB-CZ3 3.51Å; P421-W470 HydrophobicContact CG-CB 4.49Å; P421-W470 HydrophobicContact CG-CD2 3.5Å; P421-W470 VanDerWaalsContact CG-CD2 3.5Å; P421-W470 HydrophobicContact CG-CE3 3.78Å; P421-W470 HydrophobicContact CG-CG 3.84Å; P421-W470 HydrophobicContact CG-CH2 4.17Å; P421-W470 HydrophobicContact CG-CZ2 3.98Å; P421-W470 HydrophobicContact CG-CZ3 4.11Å; P421-W470 CarbonylContact O-C 3.51Å; P421-W470 WeakPolarHBondContact O-CA 3.45Å; P421-W470 WeakPolarHBondContact O-CB 3.32Å; R423-W470 HydrophobicContact CB-CB 3.79Å; R423-W470 HydrophobicContact CG-CB 3.76Å; R423-W470 HydrophobicContact CG-CD2 3.88Å; R423-W470 HydrophobicContact CG-CE3 3.58Å; R423-W470 HydrophobicContact CG-CG 3.97Å; R423-W470 PolarHBondContact N-O 3.37Å; R423-W470 VanDerWaalsContact NE-CD2 3.3Å; R437-W470 HydrophobicContact CG-CE3 4.04Å; R437-W470 HydrophobicContact CG-CZ3 3.62Å; R437-W470 VanDerWaalsContact NE-CH2 3.28Å; D438-W470 WeakPolarHBondContact O-CZ3 3.37Å; F467-W470 CarbonylContact O-C 3.56Å; F467-W470 PolarHBondContact O-N 3.06Å
471N88.7Confident92Very high26 Ų2648.6 Ų48.614%0.13924%0.236CC..EExtended strand (participates in β ladder)trans-116.732.3-173.774.7-21.8000113.7Q420 P421 V473Q420-N471 PolarHBondContact OE1-OD1 3.46Å; P421-N471 PolarHBondContact O-N 3.29Å; N471-V473 PolarHBondContact O-N 3.44Å
472G92.6Very high92Very high0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-62.220.3-177.500000117.8V417 R418 Q420 P421 Y474V417-G472 VanDerWaalsContact CA-O 3.3Å; V417-G472 WeakPolarHBondContact CA-O 3.25Å; R418-G472 PolarHBondContact N-O 3.13Å; Q420-G472 WeakPolarHBondContact O-CA 3.42Å; P421-G472 PolarHBondContact O-N 3.12Å; G472-Y474 PolarHBondContact O-N 3.25Å
473V94.3Very high92Very high1 Ų146.6 Ų46.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-63.4126.3176.5-179.60000109.8I368 F374 P375 I415 L422 T466 N471I368-V473 HydrophobicContact CD1-CG1 3.3Å; F374-V473 PolarHBondContact N-O 3.27Å; P375-V473 HydrophobicContact CG-CB 4.13Å; P375-V473 HydrophobicContact CG-CG1 4.36Å; P375-V473 HydrophobicContact CG-CG2 4.27Å; I415-V473 HydrophobicContact CD1-CG2 4.5Å; I415-V473 HydrophobicContact CG2-CB 4.15Å; I415-V473 HydrophobicContact CG2-CG1 4Å; I415-V473 HydrophobicContact CG2-CG2 3.97Å; L422-V473 HydrophobicContact CD1-CG2 3.41Å; L422-V473 VanDerWaalsContact CD1-CG2 3.41Å; T466-V473 HydrophobicContact CG2-CG2 3.51Å; N471-V473 PolarHBondContact O-N 3.44Å
474Y94.3Very high92Very high39 Ų3946.4 Ų46.415%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-127.9142.8-175.5-176.4-102.7000112.2S373 F374 T416 R418 G472 S476 D479 S481S373-Y474 VanDerWaalsContact OG-CD2 3.25Å; S373-Y474 WeakPolarHBondContact OG-CD2 3.39Å; F374-Y474 HydrophobicContact CE2-CD2 4.37Å; F374-Y474 HydrophobicContact CZ-CD2 4.2Å; T416-Y474 HydrophobicContact CG2-CD1 3.88Å; T416-Y474 WeakPolarHBondContact O-CB 3.31Å; T416-Y474 PolarHBondContact O-N 3.03Å; R418-Y474 HydrophobicContact CB-CD1 4.32Å; R418-Y474 HydrophobicContact CB-CD2 4.15Å; R418-Y474 HydrophobicContact CB-CG 3.83Å; R418-Y474 PolarHBondContact NH1-OH 3.48Å; R418-Y474 VanDerWaalsContact NH1-OH 3.08Å; G472-Y474 PolarHBondContact O-N 3.25Å; Y474-S476 WeakPolarHBondContact OH-CB 3.47Å; Y474-D479 HydrophobicContact CD1-CB 4.17Å; Y474-D479 HydrophobicContact CE1-CB 4.11Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.48Å; Y474-S481 WeakPolarHBondContact O-CB 3.29Å; Y474-S481 PolarHBondContact O-OG 3.25Å
475A93.9Very high92.1Very high2 Ų246.4 Ų46.42%0.01723%0.231CC..  trans-146.7137.8169.300000110.9I368 S373 D479I368-A475 HydrophobicContact CB-CB 3.77Å; I368-A475 HydrophobicContact CG2-CB 3.81Å; I368-A475 WeakPolarHBondContact O-CB 3.4Å; S373-A475 PolarHBondContact OG-N 3.42Å; S373-A475 PolarHBondContact OG-O 3.01Å; A475-D479 CarbonylContact C-O 3.56Å; A475-D479 WeakPolarHBondContact CA-O 3.33Å
476S92.3Very high92.3Very high18 Ų1849.8 Ų49.813%0.12625%0.245CC..  trans-133.1-172.1-179.484.40000109.8P370 Y474 E478 D479P370-S476 WeakPolarHBondContact CG-O 3.46Å; Y474-S476 WeakPolarHBondContact OH-CB 3.47Å; S476-E478 PolarHBondContact O-N 3.4Å; S476-E478 PolarHBondContact OG-N 3.14Å; S476-D479 PolarHBondContact N-O 3.39Å; S476-D479 PolarHBondContact OG-N 3.31Å; S476-D479 PolarHBondContact OG-OD2 3.42Å
477S89.9Confident92.6Very high108 Ų10851 Ų5176%0.75525%0.252SS*.SBendtrans-69.9-17.717045.40000113
478E90.1Very high93Very high172 Ų17252.5 Ų52.580%0.80426%0.261SS*.SBendtrans-114.1-22.8-174.7-61.6178.1173.100112.1S476S476-E478 PolarHBondContact O-N 3.4Å; S476-E478 PolarHBondContact OG-N 3.14Å
479D92.6Very high93.9Very high44 Ų4450.3 Ų50.324%0.23525%0.254CS..  trans-116.7128.7-177.4-51.3-72.9000111T416 Y474 A475 S476T416-D479 HydrophobicContact CG2-CB 4.19Å; Y474-D479 HydrophobicContact CD1-CB 4.17Å; Y474-D479 HydrophobicContact CE1-CB 4.11Å; Y474-D479 WeakPolarHBondContact CE1-OD2 3.48Å; A475-D479 CarbonylContact C-O 3.56Å; A475-D479 WeakPolarHBondContact CA-O 3.33Å; S476-D479 PolarHBondContact N-O 3.39Å; S476-D479 PolarHBondContact OG-N 3.31Å; S476-D479 PolarHBondContact OG-OD2 3.42Å
480D95.1Very high94.6Very high52 Ų5247 Ų4728%0.27824%0.24SC..  trans-107.6144.7178.1-83.2-49.4000111.6K385 T416 I482K385-D480 VanDerWaalsContact NZ-CG 3.26Å; K385-D480 IonicContact NZ-OD1 3.1Å; K385-D480 PolarHBondContact NZ-OD1 3.1Å; K385-D480 IonicContact NZ-OD2 3.21Å; K385-D480 PolarHBondContact NZ-OD2 3.36Å; T416-D480 PolarHBondContact OG1-O 3.46Å; D480-I482 HydrophobicContact CB-CD1 3.93Å; D480-I482 HydrophobicContact CB-CG1 3.83Å
481S97Very high94.8Very high0 Ų050.1 Ų50.10%026%0.261CS..  trans-118.6119.6161-76.80000107.8G367 I368 H414 T416 Y474G367-S481 CarbonylContact C-O 3.54Å; G367-S481 WeakPolarHBondContact CA-O 3.35Å; I368-S481 PolarHBondContact N-O 3.14Å; H414-S481 CarbonylContact O-C 3.57Å; H414-S481 VanDerWaalsContact O-CA 3.32Å; H414-S481 WeakPolarHBondContact O-CA 3.34Å; T416-S481 PolarHBondContact N-OG 2.83Å; Y474-S481 WeakPolarHBondContact O-CB 3.29Å; Y474-S481 PolarHBondContact O-OG 3.25Å
482I97.8Very high95.1Very high42 Ų4251.4 Ų51.422%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-124.9142.7-163.9-49.9-179.4000110.4V366 F387 F413 H414 D480V366-I482 CarbonylContact O-C 3.59Å; V366-I482 WeakPolarHBondContact O-CA 3.36Å; V366-I482 WeakPolarHBondContact O-CG2 3.28Å; F387-I482 HydrophobicContact CD2-CG2 4.3Å; F387-I482 HydrophobicContact CE2-CD1 4Å; F387-I482 HydrophobicContact CE2-CG1 3.97Å; F387-I482 HydrophobicContact CE2-CG2 4.1Å; F387-I482 HydrophobicContact CZ-CD1 4.19Å; F387-I482 HydrophobicContact CZ-CG1 4.43Å; F413-I482 CarbonylContact C-O 3.57Å; F413-I482 WeakPolarHBondContact CA-O 3.42Å; F413-I482 WeakPolarHBondContact CB-O 3.22Å; H414-I482 PolarHBondContact N-O 3.38Å; H414-I482 PolarHBondContact O-N 2.82Å; D480-I482 HydrophobicContact CB-CD1 3.93Å; D480-I482 HydrophobicContact CB-CG1 3.83Å
483F98.3Very high95.3Very high0 Ų054.1 Ų54.10%028%0.281CS..EExtended strand (participates in β ladder)trans-129.2126.7169175.3-139000109.5F364 V366 F383 F394 F411 F413 L426 V462 M464F364-F483 AromaticContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD1 3.61Å; F364-F483 HydrophobicContact CE2-CD2 4.41Å; F364-F483 AromaticContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE1 3.62Å; F364-F483 HydrophobicContact CE2-CE2 4.42Å; F364-F483 HydrophobicContact CE2-CG 4.02Å; F364-F483 HydrophobicContact CE2-CZ 4.04Å; F364-F483 HydrophobicContact CZ-CD1 4.04Å; F364-F483 AromaticContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE1 3.56Å; F364-F483 HydrophobicContact CZ-CE2 4.11Å; F364-F483 AromaticContact CZ-CZ 3.6Å; F364-F483 HydrophobicContact CZ-CZ 3.6Å; V366-F483 HydrophobicContact CG2-CB 4.29Å; V366-F483 HydrophobicContact CG2-CD1 4.45Å; V366-F483 WeakPolarHBondContact CG2-O 3.47Å; V366-F483 PolarHBondContact N-O 2.75Å; V366-F483 PolarHBondContact O-N 3.21Å; F383-F483 HydrophobicContact CD1-CB 4.23Å; F383-F483 HydrophobicContact CD2-CB 4.32Å; F383-F483 HydrophobicContact CD2-CD1 4.25Å; F383-F483 HydrophobicContact CE1-CB 3.71Å; F383-F483 HydrophobicContact CE2-CB 3.8Å; F383-F483 AromaticContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CD1 3.88Å; F383-F483 HydrophobicContact CE2-CG 4.22Å; F383-F483 HydrophobicContact CZ-CB 3.48Å; F383-F483 VanDerWaalsContact CZ-CB 3.48Å; F383-F483 HydrophobicContact CZ-CD1 4.4Å; F383-F483 HydrophobicContact CZ-CG 4.27Å; F394-F483 AromaticContact CE2-CD1 3.92Å; F394-F483 HydrophobicContact CE2-CD1 3.92Å; F394-F483 AromaticContact CE2-CE1 3.91Å; F394-F483 HydrophobicContact CE2-CE1 3.91Å; F411-F483 HydrophobicContact CB-CE2 4.25Å; F411-F483 AromaticContact CD1-CE2 3.85Å; F411-F483 HydrophobicContact CD1-CE2 3.85Å; F411-F483 AromaticContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CD1-CZ 3.84Å; F411-F483 HydrophobicContact CE1-CZ 4.38Å; F411-F483 HydrophobicContact CG-CE2 4.47Å; F413-F483 HydrophobicContact CB-CB 4.46Å; F413-F483 HydrophobicContact CB-CD2 4.12Å; L426-F483 HydrophobicContact CD1-CE2 3.63Å; L426-F483 HydrophobicContact CD1-CZ 3.61Å; V462-F483 HydrophobicContact CG1-CZ 4.4Å; M464-F483 HydrophobicContact CG-CD1 4.08Å; M464-F483 HydrophobicContact CG-CD2 4.04Å; M464-F483 HydrophobicContact CG-CE1 4.15Å; M464-F483 HydrophobicContact CG-CE2 4.12Å; M464-F483 HydrophobicContact CG-CG 4.03Å; M464-F483 HydrophobicContact CG-CZ 4.18Å; M464-F483 HydrophobicContact SD-CB 3.87Å; M464-F483 HydrophobicContact SD-CD1 4.31Å; M464-F483 HydrophobicContact SD-CD2 3.67Å; M464-F483 HydrophobicContact SD-CE2 4.28Å; M464-F483 HydrophobicContact SD-CG 3.7Å
484S98.6Very high95.3Very high28 Ų2857 Ų5720%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-132.5150.2-177.2-49.50000110.3F364 S365 F411 S412F364-S484 VanDerWaalsContact O-CA 3.3Å; F364-S484 WeakPolarHBondContact O-CA 3.37Å; S365-S484 PolarHBondContact OG-OG 3.36Å; F411-S484 WeakPolarHBondContact CA-O 3.48Å; S412-S484 PolarHBondContact N-O 3.44Å; S412-S484 PolarHBondContact O-N 3.25Å; S412-S484 VanDerWaalsContact O-O 3.09Å
485G98.4Very high95.4Very high1 Ų158.1 Ų58.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-155.3146.617300000111.9A363 F364 V410A363-G485 CarbonylContact C-O 3.49Å; A363-G485 VanDerWaalsContact CA-O 3.23Å; A363-G485 WeakPolarHBondContact CA-O 3.26Å; F364-G485 PolarHBondContact N-O 3.11Å; F364-G485 PolarHBondContact O-N 3.26Å; V410-G485 CarbonylContact O-C 3.46Å; V410-G485 WeakPolarHBondContact O-CA 3.18Å
486F98.4Very high95.5Very high94 Ų9461.6 Ų61.641%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-150.3150.4177.663.9-88.1000112.7S362 A363 Y409 V410 L488S362-F486 CarbonylContact O-C 3.57Å; S362-F486 WeakPolarHBondContact O-CA 3.31Å; A363-F486 HydrophobicContact CB-CB 3.59Å; Y409-F486 WeakPolarHBondContact CA-O 3.42Å; Y409-F486 VanDerWaalsContact CD1-C 3.49Å; Y409-F486 WeakPolarHBondContact CD1-O 3.5Å; V410-F486 HydrophobicContact CB-CD1 4.35Å; V410-F486 HydrophobicContact CB-CE1 3.83Å; V410-F486 HydrophobicContact CB-CE2 4.16Å; V410-F486 HydrophobicContact CB-CZ 3.72Å; V410-F486 HydrophobicContact CG1-CE1 4Å; V410-F486 HydrophobicContact CG1-CZ 4.09Å; V410-F486 HydrophobicContact CG2-CE2 4.16Å; V410-F486 HydrophobicContact CG2-CZ 3.98Å; V410-F486 PolarHBondContact N-O 2.78Å; V410-F486 PolarHBondContact O-N 3Å; F486-L488 HydrophobicContact CE2-CB 4.5Å; F486-L488 HydrophobicContact CE2-CD1 4.14Å; F486-L488 PolarHBondContact O-N 3.21Å
487L98.2Very high95.7Very high25 Ų2564.5 Ų64.513%0.13134%0.336CS..EExtended strand (participates in β ladder)trans-69.4120.1172.2178.767.1000109.6K360 S362 H405 Y409 Y489K360-L487 HydrophobicContact CB-CD2 4.02Å; S362-L487 PolarHBondContact O-N 3.02Å; H405-L487 HydrophobicContact CB-CD2 4Å; Y409-L487 HydrophobicContact CD1-CB 4.16Å; Y409-L487 HydrophobicContact CD2-CD1 4.07Å; Y409-L487 HydrophobicContact CE1-CB 3.67Å; Y409-L487 HydrophobicContact CE1-CD1 4.19Å; Y409-L487 HydrophobicContact CE2-CD1 3.61Å; L487-Y489 WeakPolarHBondContact CD1-O 3.23Å
488L97.4Very high96.1Very high72 Ų7261.4 Ų61.438%0.37731%0.306SS..EExtended strand (participates in β ladder)trans-91.9-51176.2-176.966.7000111V408 V410 F486V408-L488 WeakPolarHBondContact O-CA 3.5Å; V408-L488 WeakPolarHBondContact O-CB 3.35Å; V408-L488 PolarHBondContact O-N 3.21Å; V410-L488 HydrophobicContact CG2-CB 4.07Å; V410-L488 HydrophobicContact CG2-CD2 3.92Å; V410-L488 HydrophobicContact CG2-CG 4.44Å; F486-L488 HydrophobicContact CE2-CB 4.5Å; F486-L488 HydrophobicContact CE2-CD1 4.14Å; F486-L488 PolarHBondContact O-N 3.21Å
489Y96.1Very high96.6Very high156 Ų15652.8 Ų52.861%0.61227%0.268SS*.EExtended strand (participates in β ladder)trans-134.9121.9177.6-56.4-61.8000109.2G407 V408 L487G407-Y489 CarbonylContact C-O 3.56Å; G407-Y489 VanDerWaalsContact CA-O 3.25Å; G407-Y489 WeakPolarHBondContact CA-O 3.46Å; V408-Y489 HydrophobicContact CB-CD2 4.29Å; V408-Y489 PolarHBondContact N-O 2.93Å; V408-Y489 PolarHBondContact O-N 3.21Å; V408-Y489 VanDerWaalsContact O-N 3.16Å; L487-Y489 WeakPolarHBondContact CD1-O 3.23Å
490S95.1Very high96.9Very high57 Ų5753.6 Ų53.640%0.39927%0.271SS..EExtended strand (participates in β ladder)trans-73.4144.4167.263.60000110.1
491D92.2Very high97.1Very high116 Ų11653.7 Ų53.762%0.6227%0.27SS*.  trans-59.70168-75.3-26.6000112.5P406 G407 R455P406-D491 HydrophobicContact CB-CB 4.46Å; P406-D491 PolarHBondContact O-N 3.32Å; G407-D491 PolarHBondContact N-OD2 3.04Å; R455-D491 IonicContact CZ-OD1 3.37Å; R455-D491 IonicContact NE-OD1 3.78Å; R455-D491 PolarHBondContact NE-OD1 3.21Å; R455-D491 VanDerWaalsContact NE-OD1 3.14Å; R455-D491 IonicContact NE-OD2 3.14Å; R455-D491 IonicContact NH2-OD1 2.8Å; R455-D491 PolarHBondContact NH2-OD1 2.74Å; R455-D491 IonicContact NH2-OD2 3.53Å

Retrieved 491 of 491 residues in 453.4 ms (Link to these results)