A0A5K4F198_SCHMA Loading...

LIM interaction domain (LID) domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F198, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 744 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41.4Very low43.4Very low236 Ų236142.8 Ų142.8100%1.16386%0.855SS**  0124.40-61.4147.6172.800108.5
2N44.2Very low42.9Very low146 Ų146137.3 Ų137.378%0.78185%0.85SS**  cis-142.7128.6-29.1-103.87.8000107.2
3R36.8Very low43Very low252 Ų252136.2 Ų136.295%0.95185%0.851SS**  trans-91.2141.9157.3-93.1-175.3171.3-178-2.4107.3
4M55.4Low42.7Very low174 Ų174138.9 Ų138.986%0.85785%0.848SS**  trans-134.9156.8161.2-86.3-165.2160.500110.8
5P46.2Very low42.7Very low122 Ų122136.9 Ų136.979%0.79284%0.839SS**  trans-111.2179.7-155.340.4-30.7000114.3
6S37.1Very low42.6Very low114 Ų114138.7 Ų138.780%0.79784%0.84SS**  trans-69.4151.2178.2-160.90000113.5
7A50Low42.2Very low95 Ų95139.2 Ų139.279%0.78583%0.831SS**  trans-116.1169.9161.400000110.2
8V39.4Very low42.2Very low138 Ų138140.5 Ų140.584%0.83683%0.83SS**  trans-140.1166.3-163.3177.40000110.7
9A41.8Very low41.9Very low88 Ų88140.5 Ų140.573%0.72782%0.821SS**  trans89.7144.7167.400000116.6
10S41.7Very low41.8Very low122 Ų122139.7 Ų139.785%0.85382%0.82SS**  cis-165.1155-11.1-110.40000113.4
11G43.4Very low41.9Very low84 Ų84139.4 Ų139.487%0.86682%0.819SS**  trans89.7143.3158.300000117.1
12G37.9Very low41.8Very low77 Ų77136.3 Ų136.379%0.79480%0.801SS**  cis157.9114-14.100000115.4
13S44Very low41.4Very low123 Ų123134.5 Ų134.586%0.8680%0.8SS**  trans-168.2150.9156.841.30000112.4
14Q38.5Very low41.6Very low173 Ų173125.6 Ų125.681%0.80879%0.787SS**  trans-153.2168.7-177.6-83.7-72.7-6.400105.7
15P42.3Very low40.8Very low109 Ų109123.3 Ų123.371%0.70879%0.786SS**  cis-138.2175.321.743.9-26.9000116.9
16L41.5Very low40.5Very low166 Ų166124.3 Ų124.387%0.86979%0.789SS**  -163.9156.1115-101.9173.4000110.7
17H36Very low40.6Very low147 Ų147126.2 Ų126.268%0.68179%0.789SS**  trans-127.5129.1-164167.991000113
18M41.5Very low39.9Very low163 Ų163126.9 Ų126.980%0.80379%0.788SS**  trans-147150.7160.2-99-67106.300110
19Q37.9Very low39.8Very low141 Ų141125.9 Ų125.966%0.65979%0.786SS**PPolyproline II helixtrans-86.6146.2-167.8-58.9173.6-70.200113.8
20P38.6Very low39.6Very low124 Ų124126.9 Ų126.981%0.80579%0.788SS**PPolyproline II helixtrans-88135.1145.533.7-27.7000110.3
21V44.1Very low39.6Very low133 Ų133128.5 Ų128.581%0.80679%0.787SS**PPolyproline II helixtrans-97154.1176.1177.30000110.6
22H40.5Very low39.3Very low171 Ų171131.3 Ų131.379%0.79278%0.782SS**PPolyproline II helixtrans-70.2139.4-166.3-107.9-107.8000116.1
23S35.9Very low39.3Very low108 Ų108134.6 Ų134.676%0.75578%0.78SS**  trans52.8117.9130.2-570000121
24G39.5Very low39Very low66 Ų66134.2 Ų134.268%0.6878%0.775SS**  trans-149.9137.1151.300000109.8
25P38.7Very low38.8Very low126 Ų126133.6 Ų133.682%0.81878%0.777SS**  trans-81.6128.1-176.231.4-33.3000112.1I27P25-I27 PolarHBondContact O-N 3.43Å
26V40Very low38.6Very low143 Ų143134.6 Ų134.687%0.86778%0.781SS**  trans-75.6110.3171-101.90000110.5S28V26-S28 PolarHBondContact O-N 3.08Å
27I40.1Very low38.5Very low154 Ų154135.2 Ų135.279%0.7978%0.784SS**  trans-72.3121.9178.1-54174.8000109P25 S29P25-I27 PolarHBondContact O-N 3.43Å; I27-S29 PolarHBondContact O-N 2.81Å; I27-S29 VanDerWaalsContact O-N 3.14Å
28S34.4Very low38.6Very low109 Ų109133.5 Ų133.576%0.76279%0.787SS**  trans-77.499.7-175.6-64.90000112V26 S30V26-S28 PolarHBondContact O-N 3.08Å; S28-S30 PolarHBondContact O-N 3.22Å
29S37.1Very low38.5Very low116 Ų116131.8 Ų131.881%0.81179%0.787SS**  trans-78.699.9174.7-65.20000110.8I27 L31I27-S29 PolarHBondContact O-N 2.81Å; I27-S29 VanDerWaalsContact O-N 3.14Å; S29-L31 PolarHBondContact O-N 3.36Å
30S38.4Very low38.4Very low109 Ų109128.5 Ų128.576%0.76279%0.792SS**  trans-72.7113-177.5-62.60000111.7S28 N32S28-S30 PolarHBondContact O-N 3.22Å; S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.18Å
31L40.7Very low38.4Very low157 Ų157130.5 Ų130.582%0.82279%0.792SS**  trans-72.986168.5-89.3169000110S29 L33S29-L31 PolarHBondContact O-N 3.36Å; L31-L33 PolarHBondContact O-N 3.14Å
32N37.7Very low37.9Very low143 Ų143130 Ų13077%0.76579%0.785SS**  trans-79.996-177.2-160.237.1000110.5S30 P34S30-N32 VanDerWaalsContact C-N 3.3Å; S30-N32 PolarHBondContact O-N 3.18Å; N32-P34 WeakPolarHBondContact O-CD 3.22Å
33L38.4Very low38Very low146 Ų146129.4 Ų129.476%0.76478%0.782SS**  trans-80.3112.5166.6-93.969.7000108.8L31 N35L31-L33 PolarHBondContact O-N 3.14Å; L33-N35 PolarHBondContact O-N 3.28Å
34P36.8Very low38.1Very low114 Ų114129.5 Ų129.574%0.7478%0.782SS**  trans-8398.2-178.732.8-31.9000110N32N32-P34 WeakPolarHBondContact O-CD 3.22Å
35N35.7Very low38Very low160 Ų160129.2 Ų129.286%0.85678%0.779SS**  trans-146.765.9167.7-137.425000111.9L33L33-N35 PolarHBondContact O-N 3.28Å
36T38.2Very low38.2Very low131 Ų131132.9 Ų132.980%0.80479%0.785SS**  trans-133.399.5177.354.20000110.6
37L39.3Very low37.9Very low178 Ų178129.6 Ų129.693%0.93278%0.78SS**  trans-110.9114.2161.8-84.4167.2000107.8
38P37.2Very low38.1Very low112 Ų112130.8 Ų130.873%0.72779%0.786SS**  -148.4-176.9128.839.8-25.1000112.3
39P39.9Very low38.2Very low126 Ų126133.4 Ų133.482%0.81879%0.787SS**  cis-120.1169.3-4935.3-22.4000110.9
40G36.4Very low38.5Very low73 Ų73135 Ų13575%0.75378%0.783SS**  trans-101.3165.5177.700000114.6
41M37.7Very low38.7Very low165 Ų165135.7 Ų135.781%0.81379%0.788SS**  trans-152.7144.7162.1-78.4-143.5113.300111.7
42L33.6Very low38.5Very low124 Ų124131.5 Ų131.565%0.64978%0.782SS**  trans38.1149.2137.1-50.1178.1000120.1
43H41.9Very low38.8Very low157 Ų157130.5 Ų130.573%0.72778%0.784SS**  cis-166.7159.321.9-150.954000112
44S39.6Very low39Very low110 Ų110132.5 Ų132.577%0.76979%0.789SS**  trans60.8159161.6-68.30000119.5
45G36.7Very low39.2Very low60 Ų60133.6 Ų133.662%0.61979%0.789SS**  cis167.6156.6-7.100000112.3
46H41.6Very low39.8Very low203 Ų203137.8 Ų137.894%0.9479%0.793SS**  trans69.7136.7-173.7-52.5-0.3000115.2
47G35.2Very low39.6Very low74 Ų74139 Ų13976%0.76379%0.789SS**  cis116.980.6-16.800000116.5
48I44.7Very low40.1Very low179 Ų179136.2 Ų136.292%0.91878%0.781SS**  trans-134.4160.5156.5-72.6-169.7000108.8
49Q35.7Very low40.5Very low165 Ų165134 Ų13477%0.77177%0.772SS**  trans-127.7168.8-157.7-176.2-174.89000111.5
50M43Very low40.9Very low149 Ų149134.8 Ų134.873%0.73478%0.775SS**  trans120135.4148.6-63.5-66.5-87.100118.1
51S43Very low41.4Very low123 Ų123137.2 Ų137.286%0.8678%0.778SS**  trans66.6146.2162.2-52.60000117.8
52G37Very low41.9Very low69 Ų69134.3 Ų134.371%0.71178%0.78SS**  cis155.2121.9-3.200000110.1
53P43.4Very low42.4Very low123 Ų123134.8 Ų134.880%0.79979%0.794SS**  trans-90.2158.2-168.235.6-36.3000114.2
54H43.4Very low42.7Very low187 Ų187131.4 Ų131.487%0.86680%0.802SS**  trans-155.7164.8160.2-108.1-55.3000113.4
55D40.7Very low43Very low137 Ų137132.2 Ų132.273%0.73381%0.807SS**  trans-85.3158-155.6-44.1-104.2000116.2
56R47.5Very low43.2Very low249 Ų249133.1 Ų133.194%0.9482%0.816SS**  trans-160110.4139.3-134.4176.7177.1111.3-0.7114.7
57E35Very low43.5Very low156 Ų156129 Ų12973%0.72981%0.807SS**  trans-89.6166.8155.8-143.6-154.2116.500109.1A59E57-A59 PolarHBondContact OE1-N 3Å
58P49.7Very low44Very low119 Ų119133 Ų13377%0.77381%0.81SS**  -155.1145.178.238.9-17.9000118.9
59A45.6Very low43.8Very low65 Ų65129.8 Ų129.854%0.53780%0.8SS.*  trans45.9127.5134.500000122.3E57E57-A59 PolarHBondContact OE1-N 3Å
60T47.6Very low44.1Very low143 Ų143126.6 Ų126.688%0.87780%0.796SS**  -171.3156.997.223.40000112.9
61P47.5Very low44Very low125 Ų125127.6 Ų127.681%0.81280%0.799SS**  trans-114.9163.6-165.641.2-32.7000116.2
62A47.6Very low43.9Very low104 Ų104132.8 Ų132.886%0.8680%0.801SS**  trans-147.9153.2160.100000110.9
63S43.6Very low43.7Very low134 Ų134138.9 Ų138.994%0.93781%0.809SS**  trans-99.1152.4-167.1-58.30000114.5
64G49Very low43.6Very low86 Ų86137.9 Ų137.989%0.88781%0.805SS**  trans-165.1103.1169.500000112.3
65S44.4Very low43.6Very low126 Ų126135.2 Ų135.288%0.88180%0.802SS**  trans-109.1142.2-170.5560000113.8
66G42.7Very low43.6Very low79 Ų79136.3 Ų136.381%0.81481%0.807SS**  trans-170.5104.7169.200000114.5
67P46.2Very low43.6Very low116 Ų116128.3 Ų128.375%0.75380%0.801SS**  trans-120.8132.8178.236.5-23.9000114.2
68I47.2Very low44.1Very low160 Ų160128.4 Ų128.482%0.82180%0.804SS**  trans-145.5114.7159.6-54179.7000110.7
69P39.7Very low43.9Very low110 Ų110130.4 Ų130.471%0.71481%0.808SS**  trans-110.6147.6153.436-27.2000111
70S42.6Very low44.2Very low98 Ų98132.9 Ų132.969%0.68582%0.819SS**  trans-139.8121.1176.5-69.20000111.7
71H39.6Very low44.2Very low171 Ų171129.5 Ų129.579%0.79281%0.812SS**  trans-94.3142.7173.5-58.2-107.7000110.4
72Y41.4Very low44.4Very low231 Ų231129.5 Ų129.591%0.90682%0.815SS**  trans-139.5132.8154.3-75.4-71.8000111
73F34.2Very low44.9Very low198 Ų198129.3 Ų129.387%0.86881%0.805SS**  trans-123.3126.8178.8163.9-83.2000108.3
74S39.8Very low45.5Very low102 Ų102130.8 Ų130.871%0.71380%0.797SS**  trans178149.1171.1-82.30000108.2
75T43.1Very low45.8Very low131 Ų131131.7 Ų131.780%0.80479%0.787SS**  cis-155166.9-7.79.50000109.3
76L42.6Very low46.2Very low160 Ų160132.8 Ų132.884%0.83878%0.781SS**  trans-65153.2178.3-68.9161.1000113.9M78L76-M78 HydrophobicContact CB-SD 4.18Å
77G46.3Very low46.6Very low80 Ų80134.5 Ų134.583%0.82578%0.778SS**  trans-15698.6166.300000111.2
78M46.8Very low46.6Very low159 Ų159135.5 Ų135.578%0.78378%0.777SS**  trans-92.8152.2-179.7-57.692.174.600112.4L76L76-M78 HydrophobicContact CB-SD 4.18Å
79N44.8Very low46.8Very low160 Ų160135.1 Ų135.186%0.85677%0.774SS**  trans-145.8121.1152.9-165.416.7000110.7
80P52.3Low47.3Very low118 Ų118135.8 Ų135.877%0.76678%0.776SS**  trans-111.8168.5-175.540.4-33.6000114.9
81G46.5Very low47.4Very low72 Ų72136.1 Ų136.174%0.74278%0.775SS**  trans118.2145.2169.800000113.4
82S52.8Low47.8Very low124 Ų124136.8 Ų136.887%0.86778%0.778SS**  cis-147.4162.31.3-64.20000111.2
83P57.7Low47.8Very low101 Ų101129 Ų12966%0.65677%0.769SS**  trans-125.4-162.7-153.529.4-6.9000116.3
84H57.1Low48.1Very low164 Ų164129.2 Ų129.276%0.75977%0.772SS**  trans98.5159.8163-50.1-60.3000117.9
85P53.4Low48.3Very low105 Ų105129.6 Ų129.668%0.68277%0.772SS**  cis-133.2153.8-46.237.4-21.1000113.5
86I54.5Low48.1Very low149 Ų149128.7 Ų128.776%0.76477%0.771SS**  53.3133.794.1-48.6169.3000113.4
87P50Low48Very low116 Ų116129 Ų12975%0.75377%0.768SS**  cis-142.2140.536.4225.1000121.5
88N46.8Very low47.7Very low136 Ų136133.9 Ų133.973%0.72777%0.767SS**  65.5132.1104.2-14125.4000125.2
89M50Low47.4Very low152 Ų152133.6 Ų133.675%0.74976%0.764SS**  trans73.3154.8158-35.8-144.896.500118.6
90V50.3Low47.2Very low125 Ų125134.7 Ų134.776%0.75876%0.763SS**  cis-134.5146.614.2176.90000110.6
91P44.6Very low46.6Very low104 Ų104136 Ų13668%0.67576%0.758SS**  trans-98.8146.1-17337.1-34000115.4
92H49Very low46.3Very low185 Ų185137.5 Ų137.586%0.85676%0.755SS**  trans-155.5142.7163.1-87.490.7000111.3
93G40.9Very low45.6Very low68 Ų68138.3 Ų138.370%0.70175%0.749SS**  trans76.3133.7156.700000117.7P95G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.35Å
94H41.7Very low44.9Very low202 Ų202140.6 Ų140.694%0.93576%0.755SS**  trans-60.3134.1174.2-65.4-107.4000112.6
95P42.4Very low43.8Very low110 Ų110137.2 Ų137.271%0.71475%0.75SS**  trans-119.6148.2130.635.3-32000111.2G93 Q97G93-P95 VanDerWaalsContact O-CD 3.22Å; G93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-Q97 PolarHBondContact O-N 2.81Å
96S40.3Very low43.2Very low112 Ų112137.3 Ų137.378%0.78374%0.744SS**  trans-58132.7174.4-59.40000110.8F98S96-F98 PolarHBondContact O-N 2.97Å
97Q39.6Very low42.2Very low168 Ų168137.8 Ų137.879%0.78575%0.748SS**  trans-65.5122.2178.4-74.7-169.2-9.200110.9P95 H99P95-Q97 PolarHBondContact O-N 2.81Å; Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.28Å; Q97-H99 PolarHBondContact O-ND1 3.39Å; Q97-H99 VanDerWaalsContact O-ND1 3.08Å
98F40Very low41.4Very low182 Ų182142.5 Ų142.580%0.79875%0.751SS**  trans-59.189.2166.8-75.3-93.8000110S96 H100S96-F98 PolarHBondContact O-N 2.97Å; F98-H100 PolarHBondContact O-N 2.89Å
99H39.8Very low40.7Very low153 Ų153140.6 Ų140.671%0.70874%0.741SS**  trans-58.2125.8160.1-73.960.7000106.6Q97 H101Q97-H99 VanDerWaalsContact C-N 3.27Å; Q97-H99 PolarHBondContact O-N 3.28Å; Q97-H99 PolarHBondContact O-ND1 3.39Å; Q97-H99 VanDerWaalsContact O-ND1 3.08Å; H99-H101 PolarHBondContact O-N 2.83Å
100H42.1Very low40.1Very low183 Ų183138.9 Ų138.985%0.84774%0.741SS**  trans-57.5115.5175.6-78.834.5000108F98 P102F98-H100 PolarHBondContact O-N 2.89Å; H100-P102 WeakPolarHBondContact O-CD 3.46Å
101H39Very low40Very low144 Ų144138.4 Ų138.467%0.66773%0.73SS**  trans-58.1126.2178-64-84.4000108.7H99 L103H99-H101 PolarHBondContact O-N 2.83Å; H101-L103 HydrophobicContact CB-CD2 4.26Å; H101-L103 HydrophobicContact CB-CG 3.86Å; H101-L103 PolarHBondContact O-N 3.48Å
102P40.1Very low40.2Very low104 Ų104139.7 Ų139.768%0.67573%0.731SS**  trans-74.558.9164.233.5-35000109.7H100 S105H100-P102 WeakPolarHBondContact O-CD 3.46Å; P102-S105 PolarHBondContact O-N 3.25Å; P102-S105 PolarHBondContact O-OG 3.1Å
103L38.8Very low40.3Very low141 Ų141137.7 Ų137.774%0.73872%0.724SS**THydrogen-bonded Turntrans-55.3146.5154.7-59-177.2000107H101H101-L103 HydrophobicContact CB-CD2 4.26Å; H101-L103 HydrophobicContact CB-CG 3.86Å; H101-L103 PolarHBondContact O-N 3.48Å
104L43.3Very low41.3Very low150 Ų150135.5 Ų135.579%0.78570%0.702SS**THydrogen-bonded Turntrans69.336-168.8-38.1179.9000114.5L106L104-L106 HydrophobicContact CD2-CD1 4.03Å; L104-L106 PolarHBondContact O-N 3.35Å
105S32.9Very low43.2Very low93 Ų93130.3 Ų130.365%0.6568%0.678SS**  trans-67.956.3147.3-65.10000111P102 N107P102-S105 PolarHBondContact O-N 3.25Å; P102-S105 PolarHBondContact O-OG 3.1Å; S105-N107 PolarHBondContact O-N 2.91Å
106L41.7Very low45.5Very low106 Ų106125.1 Ų125.156%0.55564%0.644SS**  trans-77.641.9-177.1-110.4162.1000111.5L104 R108 L109L104-L106 HydrophobicContact CD2-CD1 4.03Å; L104-L106 PolarHBondContact O-N 3.35Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.4Å; L106-L109 HydrophobicContact CD2-CD1 3.96Å
107N32.4Very low47.9Very low159 Ų159122.3 Ų122.385%0.8562%0.619SS**  trans-9112.1-177.3-94.281.1000113.9S105S105-N107 PolarHBondContact O-N 2.91Å
108R33.8Very low50.5Low215 Ų215118.5 Ų118.581%0.81160%0.603SS**SBendtrans-123.2131.3148.5-63.2-173.8-175.7-150.63.9106.9L106L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.4Å
109L31.3Very low53.1Low97 Ų97111.7 Ų111.751%0.50857%0.572SS.*  trans159.566.9141.3-82.3168.5000111.1L106 H111L106-L109 HydrophobicContact CD2-CD1 3.96Å; L109-H111 VanDerWaalsContact CA-CD2 3.44Å; L109-H111 WeakPolarHBondContact CA-CD2 3.44Å; L109-H111 VanDerWaalsContact CD2-CD2 3.46Å; L109-H111 WeakPolarHBondContact CD2-CD2 3.49Å; L109-H111 PolarHBondContact O-N 2.95Å
110P39.1Very low55.8Low116 Ų116104.6 Ų104.675%0.75354%0.539SS*.THydrogen-bonded Turntrans-743916735.8-39000112.7
111H48Very low58.3Low114 Ų114102.2 Ų102.253%0.52853%0.527SS..THydrogen-bonded Turntrans-127.88-175.1-24.1-97.8000113L109L109-H111 VanDerWaalsContact CA-CD2 3.44Å; L109-H111 WeakPolarHBondContact CA-CD2 3.44Å; L109-H111 VanDerWaalsContact CD2-CD2 3.46Å; L109-H111 WeakPolarHBondContact CD2-CD2 3.49Å; L109-H111 PolarHBondContact O-N 2.95Å
112L48.6Very low61Low132 Ų13299.7 Ų99.769%0.69152%0.515SS*.SBendtrans-92.4-13.4172.9-82.3161.8000112.8
113I50.7Low63.8Low142 Ų14294.7 Ų94.773%0.72848%0.483SS*.SBendtrans-98121.2165.1-78.9167.2000106.5
114G62.4Low66.6Low22 Ų2288.9 Ų88.923%0.22745%0.453CS..  trans98.726.6167.500000118.9P116 L204 M241G114-P116 WeakPolarHBondContact O-CD 3.26Å; G114-L204 WeakPolarHBondContact O-CD2 3.27Å; G114-M241 VanDerWaalsContact CA-CE 3.5Å
115Q82Confident69.2Low94 Ų9486.5 Ų86.544%0.43944%0.436SS..  trans-74.7117.5166.6-75.5-171.6-15.200111E117 L118Q115-E117 PolarHBondContact O-N 3.36Å; Q115-L118 HydrophobicContact CB-CB 4.45Å; Q115-L118 HydrophobicContact CB-CD1 3.93Å; Q115-L118 HydrophobicContact CB-CG 3.9Å; Q115-L118 PolarHBondContact O-N 3.45Å
116P89.2Confident72.2Confident0 Ų085.1 Ų85.10%042%0.416CS..Hα-helixtrans-69.8-29.7-173.323.6-27.9000113.2G114 L118 R119 I120 E197 L204 L206 F235G114-P116 WeakPolarHBondContact O-CD 3.26Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.23Å; P116-R119 PolarHBondContact O-N 3.25Å; P116-I120 PolarHBondContact O-N 3.33Å; P116-E197 VanDerWaalsContact CD-OE2 3.31Å; P116-E197 WeakPolarHBondContact CD-OE2 3.4Å; P116-E197 HydrophobicContact CG-CG 4.02Å; P116-L204 HydrophobicContact CB-CD2 4.27Å; P116-L204 HydrophobicContact CG-CD2 3.94Å; P116-L204 HydrophobicContact CG-CG 4.48Å; P116-L206 HydrophobicContact CB-CB 4.17Å; P116-L206 HydrophobicContact CB-CD1 3.85Å; P116-L206 HydrophobicContact CG-CB 4.19Å; P116-L206 HydrophobicContact CG-CD1 3.94Å; P116-L206 HydrophobicContact CG-CG 4.48Å; P116-F235 HydrophobicContact CB-CD2 3.79Å; P116-F235 HydrophobicContact CB-CE2 3.48Å; P116-F235 VanDerWaalsContact CB-CE2 3.48Å; P116-F235 HydrophobicContact CB-CG 4.49Å; P116-F235 HydrophobicContact CB-CZ 3.95Å
117E91.7Very high74.9Confident54 Ų5480.1 Ų80.125%0.25239%0.391SS..Hα-helixtrans-60.1-35.9173.4-7372.6-165.700112.6Q115 R119 I120 F121 N195 L206Q115-E117 PolarHBondContact O-N 3.36Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-I120 PolarHBondContact O-N 2.86Å; E117-F121 PolarHBondContact O-N 3.02Å; E117-N195 WeakPolarHBondContact CG-ND2 3.39Å; E117-N195 WeakPolarHBondContact OE1-CB 3.4Å; E117-N195 PolarHBondContact OE1-ND2 3.46Å; E117-L206 HydrophobicContact CG-CD1 4.23Å; E117-L206 WeakPolarHBondContact OE1-CD1 3.33Å
118L92.7Very high77.9Confident87 Ų8778 Ų7846%0.45538%0.376SS..Hα-helixtrans-65.8-36.6-179.9-65.8-177.3000111.2Q115 P116 I120 F121 E122Q115-L118 HydrophobicContact CB-CB 4.45Å; Q115-L118 HydrophobicContact CB-CD1 3.93Å; Q115-L118 HydrophobicContact CB-CG 3.9Å; Q115-L118 PolarHBondContact O-N 3.45Å; P116-L118 VanDerWaalsContact C-N 3.28Å; P116-L118 PolarHBondContact O-N 3.23Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-I120 PolarHBondContact O-N 3.42Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.31Å; L118-E122 WeakPolarHBondContact O-CG 3.37Å; L118-E122 PolarHBondContact O-N 3.49Å
119R95.1Very high80.7Confident40 Ų4073.7 Ų73.715%0.15137%0.365CS..Hα-helixtrans-65.4-35.7175.7-60.9-67.6-72.8129.6-2.1111.9P116 E117 E122 M123 D145 F235 L240 M241P116-R119 PolarHBondContact O-N 3.25Å; E117-R119 VanDerWaalsContact C-N 3.31Å; E117-R119 PolarHBondContact O-N 2.96Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NH1-OE2 3.24Å; R119-E122 PolarHBondContact NH1-OE2 2.84Å; R119-E122 PolarHBondContact O-N 3.45Å; R119-M123 WeakPolarHBondContact O-CB 3.45Å; R119-M123 PolarHBondContact O-N 2.97Å; R119-D145 PolarHBondContact NH2-O 3.47Å; R119-F235 HydrophobicContact CB-CE1 3.86Å; R119-F235 HydrophobicContact CB-CZ 4.47Å; R119-F235 HydrophobicContact CG-CE1 4.34Å; R119-L240 PolarHBondContact NE-O 3.29Å; R119-L240 PolarHBondContact NH2-O 2.92Å; R119-M241 HydrophobicContact CG-CB 3.9Å; R119-M241 PolarHBondContact NE-O 3.06Å; R119-M241 PolarHBondContact NH2-O 2.92Å
120I96.3Very high83.6Confident3 Ų370.5 Ų70.52%0.01535%0.346CS..Hα-helixtrans-73.1-35173.9-62.5-63000111.7P116 E117 L118 M123 N124 L192 L233 F235 I243 W246P116-I120 PolarHBondContact O-N 3.33Å; E117-I120 PolarHBondContact O-N 2.86Å; L118-I120 VanDerWaalsContact C-N 3.32Å; L118-I120 PolarHBondContact O-N 3.42Å; I120-M123 HydrophobicContact CD1-CE 4.08Å; I120-M123 HydrophobicContact CD1-SD 4.31Å; I120-M123 HydrophobicContact CG2-CE 4.37Å; I120-M123 PolarHBondContact O-N 3.22Å; I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.36Å; I120-N124 PolarHBondContact O-ND2 2.71Å; I120-L192 HydrophobicContact CB-CD1 4.18Å; I120-L192 HydrophobicContact CG1-CD1 4.05Å; I120-L192 HydrophobicContact CG2-CD1 3.99Å; I120-L192 HydrophobicContact CG2-CG 4.29Å; I120-L233 HydrophobicContact CD1-CD1 3.64Å; I120-L233 HydrophobicContact CG1-CD1 3.79Å; I120-F235 HydrophobicContact CD1-CZ 4.38Å; I120-F235 HydrophobicContact CG1-CZ 4.21Å; I120-I243 HydrophobicContact CD1-CD1 3.78Å; I120-W246 HydrophobicContact CD1-CZ3 4.07Å
121F95.1Very high86.1Confident134 Ų13468.2 Ų68.259%0.58833%0.333SS*.Hα-helixtrans-62.9-43.4169.8175-98.7000112.2E117 L118 N124 K125E117-F121 PolarHBondContact O-N 3.02Å; L118-F121 WeakPolarHBondContact O-CB 3.4Å; L118-F121 PolarHBondContact O-N 3.31Å; F121-N124 PolarHBondContact O-N 3.42Å; F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-K125 PolarHBondContact O-N 3.23Å
122E96.5Very high88Confident90 Ų9069 Ų6942%0.42134%0.341SS..Hα-helixtrans-61.8-44.2173.7-73.6179.2154.800112.4L118 R119 K125 R126 F146L118-E122 WeakPolarHBondContact O-CG 3.37Å; L118-E122 PolarHBondContact O-N 3.49Å; R119-E122 IonicContact CZ-OE2 2.83Å; R119-E122 IonicContact NH1-OE2 3.24Å; R119-E122 PolarHBondContact NH1-OE2 2.84Å; R119-E122 PolarHBondContact O-N 3.45Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 PolarHBondContact O-N 3.45Å; E122-F146 HydrophobicContact CB-CE1 3.83Å; E122-F146 HydrophobicContact CB-CZ 4.17Å
123M97.6Very high89.9Confident0 Ų070.1 Ų70.10%035%0.347CS..Hα-helixtrans-62.2-45.7176.7-175.1-161.570.300111.5R119 I120 K125 R126 L127 F142 F146 Y190 W246R119-M123 WeakPolarHBondContact O-CB 3.45Å; R119-M123 PolarHBondContact O-N 2.97Å; I120-M123 HydrophobicContact CD1-CE 4.08Å; I120-M123 HydrophobicContact CD1-SD 4.31Å; I120-M123 HydrophobicContact CG2-CE 4.37Å; I120-M123 PolarHBondContact O-N 3.22Å; M123-K125 VanDerWaalsContact C-N 3.35Å; M123-K125 PolarHBondContact O-N 3.47Å; M123-R126 PolarHBondContact O-N 3.44Å; M123-L127 HydrophobicContact CE-CD1 4.47Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.48Å; M123-L127 PolarHBondContact O-N 2.9Å; M123-F142 HydrophobicContact CG-CE2 3.72Å; M123-F142 HydrophobicContact CG-CZ 3.63Å; M123-F142 HydrophobicContact SD-CZ 4.26Å; M123-F146 VanDerWaalsContact CA-CZ 3.43Å; M123-F146 HydrophobicContact CB-CD1 3.81Å; M123-F146 HydrophobicContact CB-CD2 4.16Å; M123-F146 HydrophobicContact CB-CE1 3.79Å; M123-F146 HydrophobicContact CB-CE2 4.16Å; M123-F146 HydrophobicContact CB-CG 4.02Å; M123-F146 HydrophobicContact CB-CZ 3.99Å; M123-F146 HydrophobicContact CG-CD1 4.33Å; M123-F146 HydrophobicContact CG-CD2 3.97Å; M123-F146 HydrophobicContact CG-CE2 4.28Å; M123-F146 HydrophobicContact CG-CG 4.02Å; M123-Y190 HydrophobicContact CE-CD2 3.56Å; M123-Y190 HydrophobicContact CE-CE2 4.01Å; M123-Y190 HydrophobicContact CE-CG 4.42Å; M123-W246 HydrophobicContact CE-CH2 3.82Å; M123-W246 HydrophobicContact CE-CZ3 3.91Å; M123-W246 HydrophobicContact SD-CH2 4.27Å; M123-W246 HydrophobicContact SD-CZ3 3.81Å
124N97.8Very high91.8Very high18 Ų1864 Ų6410%0.09632%0.317CS..Hα-helixtrans-57.7-46.6173.3-72.8-29.6000111.6I120 F121 R126 L127 Q128 Y189 Y190I120-N124 WeakPolarHBondContact O-CB 3.35Å; I120-N124 PolarHBondContact O-N 3.36Å; I120-N124 PolarHBondContact O-ND2 2.71Å; F121-N124 PolarHBondContact O-N 3.42Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.94Å; N124-L127 PolarHBondContact O-N 3.46Å; N124-Q128 WeakPolarHBondContact O-CG 3.5Å; N124-Q128 PolarHBondContact O-N 2.72Å; N124-Y189 WeakPolarHBondContact OD1-CA 3.23Å; N124-Y190 PolarHBondContact ND2-O 2.6Å; N124-Y190 PolarHBondContact OD1-N 3.39Å
125K97.5Very high93.3Very high101 Ų10167 Ų6744%0.43933%0.328SS..Hα-helixtrans-61-40.1177179.5-176.3174.6-171.40111.7F121 E122 M123 Q128 Q129F121-K125 WeakPolarHBondContact O-CB 3.34Å; F121-K125 PolarHBondContact O-N 3.23Å; E122-K125 WeakPolarHBondContact O-CB 3.45Å; E122-K125 PolarHBondContact O-N 3.26Å; M123-K125 VanDerWaalsContact C-N 3.35Å; M123-K125 PolarHBondContact O-N 3.47Å; K125-Q128 PolarHBondContact O-N 2.79Å; K125-Q129 WeakPolarHBondContact O-CB 3.38Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.31Å; K125-Q129 PolarHBondContact O-N 2.9Å
126R97.3Very high93.9Very high63 Ų6366.2 Ų66.224%0.23833%0.332CS..Hα-helixtrans-66.4-38.3176.4-16776.8174.184.310.4112.1E122 M123 N124 Q129 F142 D145 F146E122-R126 WeakPolarHBondContact O-CB 3.4Å; E122-R126 PolarHBondContact O-N 3.45Å; M123-R126 PolarHBondContact O-N 3.44Å; N124-R126 VanDerWaalsContact C-N 3.33Å; N124-R126 PolarHBondContact O-N 2.94Å; R126-Q129 PolarHBondContact O-N 2.85Å; R126-F142 HydrophobicContact CB-CD2 4.37Å; R126-F142 HydrophobicContact CB-CE2 4.45Å; R126-F142 HydrophobicContact CG-CD2 3.91Å; R126-F142 HydrophobicContact CG-CE2 4.48Å; R126-D145 IonicContact NE-OD2 2.76Å; R126-F146 HydrophobicContact CB-CE2 3.83Å; R126-F146 HydrophobicContact CB-CZ 4.09Å; R126-F146 HydrophobicContact CG-CE2 3.99Å
127L97.6Very high94.3Very high2 Ų272.3 Ų72.31%0.0136%0.364CS..Hα-helixtrans-67.2-38.7174-70.9170.2000112.4M123 N124 Q129 R130 W139 F142 F181 L188M123-L127 HydrophobicContact CE-CD1 4.47Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.48Å; M123-L127 PolarHBondContact O-N 2.9Å; N124-L127 PolarHBondContact O-N 3.46Å; L127-Q129 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.87Å; L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 2.92Å; L127-W139 HydrophobicContact CD2-CZ3 4.29Å; L127-F142 HydrophobicContact CD1-CE2 4.46Å; L127-F142 HydrophobicContact CD1-CZ 4.26Å; L127-F142 HydrophobicContact CD2-CD2 4.4Å; L127-F142 HydrophobicContact CD2-CE1 4.39Å; L127-F142 HydrophobicContact CD2-CE2 3.73Å; L127-F142 HydrophobicContact CD2-CZ 3.72Å; L127-F142 HydrophobicContact CG-CE2 3.76Å; L127-F142 HydrophobicContact CG-CZ 3.95Å; L127-F181 HydrophobicContact CD2-CE2 4.09Å; L127-F181 HydrophobicContact CD2-CZ 4.33Å; L127-L188 HydrophobicContact CD1-CD2 4.15Å; L127-L188 HydrophobicContact CD1-CG 4.28Å
128Q94.6Very high94.6Very high115 Ų11571.6 Ų71.654%0.53736%0.359SS..Hα-helixtrans-68.4-26173.8-71.5169.6-400113N124 K125 R130N124-Q128 WeakPolarHBondContact O-CG 3.5Å; N124-Q128 PolarHBondContact O-N 2.72Å; K125-Q128 PolarHBondContact O-N 2.79Å; Q128-R130 VanDerWaalsContact C-N 3.3Å
129Q93.1Very high94.8Very high124 Ų12467.8 Ų67.858%0.57934%0.339SS*.THydrogen-bonded Turntrans-88.811.6176.5-70.5177-17.800113.7K125 R126 L127K125-Q129 WeakPolarHBondContact O-CB 3.38Å; K125-Q129 VanDerWaalsContact O-CG 3.25Å; K125-Q129 WeakPolarHBondContact O-CG 3.31Å; K125-Q129 PolarHBondContact O-N 2.9Å; R126-Q129 PolarHBondContact O-N 2.85Å; L127-Q129 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.87Å
130R93.4Very high94.9Very high30 Ų3069.4 Ų69.411%0.11335%0.348CS..  trans-76.7127.5177.5-174.4-154.962.892.12.2110.7L127 Q128 D132 C134 W138 W139 F181L127-R130 WeakPolarHBondContact O-CB 3.29Å; L127-R130 PolarHBondContact O-N 2.92Å; Q128-R130 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 2.69Å; R130-D132 IonicContact NH1-OD1 3.7Å; R130-D132 PolarHBondContact NH1-OD1 2.86Å; R130-D132 IonicContact NH2-OD1 3.47Å; R130-D132 PolarHBondContact NH2-OD1 3.31Å; R130-C134 HydrophobicContact CG-CB 3.97Å; R130-C134 WeakPolarHBondContact CG-SG 3.4Å; R130-W138 HydrophobicContact CB-CH2 3.7Å; R130-W138 HydrophobicContact CB-CZ2 3.73Å; R130-W138 HydrophobicContact CG-CH2 3.69Å; R130-W138 HydrophobicContact CG-CZ2 3.86Å; R130-W138 HydrophobicContact CG-CZ3 4.06Å; R130-W139 HydrophobicContact CG-CZ2 4.46Å; R130-F181 VanDerWaalsContact NE-CE1 3.3Å
131S90.5Very high95Very high68 Ų6871.6 Ų71.648%0.47636%0.364SS..  trans-77.8155.8166.652.70000111.4D133 C134S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.08Å; S131-C134 PolarHBondContact N-SG 2.84Å; S131-C134 WeakPolarHBondContact O-CB 3.4Å; S131-C134 PolarHBondContact O-N 3.33Å; S131-C134 PolarHBondContact O-SG 2.92Å; S131-C134 PolarHBondContact OG-SG 2.83Å
132D87.4Confident95.2Very high130 Ų13065.2 Ų65.270%0.69534%0.336SS*.THydrogen-bonded Turntrans-63.2-34.1179.2-80.1-49.6000113.7R130 C134R130-D132 IonicContact CZ-OD1 2.69Å; R130-D132 IonicContact NH1-OD1 3.7Å; R130-D132 PolarHBondContact NH1-OD1 2.86Å; R130-D132 IonicContact NH2-OD1 3.47Å; R130-D132 PolarHBondContact NH2-OD1 3.31Å; D132-C134 PolarHBondContact O-N 2.72Å
133D89.3Confident95.2Very high155 Ų15561 Ų6183%0.82932%0.316SS*.THydrogen-bonded Turntrans-82.922.8178.2-49.6-74.6000114.6S131 D135S131-D133 VanDerWaalsContact C-N 3.28Å; S131-D133 PolarHBondContact O-N 3.08Å; D133-D135 PolarHBondContact O-N 2.87Å
134C91.2Very high95.2Very high13 Ų1364 Ų649%0.08833%0.334CS..  trans-61.9117.1179.3-84.60000112.8R130 S131 D132 W138 W139R130-C134 HydrophobicContact CG-CB 3.97Å; R130-C134 WeakPolarHBondContact CG-SG 3.4Å; S131-C134 PolarHBondContact N-SG 2.84Å; S131-C134 WeakPolarHBondContact O-CB 3.4Å; S131-C134 PolarHBondContact O-N 3.33Å; S131-C134 PolarHBondContact O-SG 2.92Å; S131-C134 PolarHBondContact OG-SG 2.83Å; D132-C134 PolarHBondContact O-N 2.72Å; C134-W138 HydrophobicContact CB-CB 4.28Å; C134-W138 HydrophobicContact CB-CD2 3.99Å; C134-W138 HydrophobicContact CB-CE3 4.2Å; C134-W138 HydrophobicContact CB-CG 4.03Å; C134-W138 VanDerWaalsContact SG-CD1 3.53Å; C134-W138 VanDerWaalsContact SG-CD2 3.5Å; C134-W138 VanDerWaalsContact SG-CG 3.6Å; C134-W138 PolarHBondContact SG-NE1 2.85Å; C134-W138 VanDerWaalsContact SG-NE1 3.39Å; C134-W139 PolarHBondContact O-NE1 2.97Å
135D94.1Very high95.2Very high87 Ų8766.1 Ų66.147%0.46535%0.346SS..  trans-78.8177.8-175.194.8-57.3000113.5D133 L137 W138 W139D133-D135 PolarHBondContact O-N 2.87Å; D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 VanDerWaalsContact CG-N 3.28Å; D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 PolarHBondContact OD1-N 2.97Å; D135-L137 VanDerWaalsContact OD2-CB 3.26Å; D135-L137 WeakPolarHBondContact OD2-CB 3.32Å; D135-L137 PolarHBondContact OD2-N 3.24Å; D135-W138 PolarHBondContact O-N 3.24Å; D135-W138 PolarHBondContact OD1-N 2.86Å; D135-W139 PolarHBondContact O-N 2.85Å
136S94.9Very high95.2Very high76 Ų7661.9 Ų61.953%0.53133%0.327SS..Hα-helixtrans-62.8-32.4178.2-59.10000113.6W139 E140 R178S136-W139 PolarHBondContact O-N 2.93Å; S136-E140 PolarHBondContact O-N 2.92Å; S136-E140 VanDerWaalsContact O-N 3.12Å; S136-R178 PolarHBondContact OG-NH1 3.23Å
137L96.4Very high95.3Very high128 Ų12858.9 Ų58.967%0.6732%0.316SS*.Hα-helixtrans-69.8-39.1177.8-176.561.6000111.7D135 W139 E140 S141D135-L137 VanDerWaalsContact C-N 3.3Å; D135-L137 VanDerWaalsContact CG-N 3.28Å; D135-L137 PolarHBondContact O-N 2.87Å; D135-L137 PolarHBondContact OD1-N 2.97Å; D135-L137 VanDerWaalsContact OD2-CB 3.26Å; D135-L137 WeakPolarHBondContact OD2-CB 3.32Å; D135-L137 PolarHBondContact OD2-N 3.24Å; L137-W139 VanDerWaalsContact C-N 3.3Å; L137-W139 PolarHBondContact O-N 3.28Å; L137-E140 PolarHBondContact O-N 2.87Å; L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.48Å
138W97.7Very high95.3Very high39 Ų3960 Ų6015%0.14832%0.322CS..Hα-helixtrans-57.2-43.7172.3-170.1107.1000111.7R130 C134 D135 S141 F142R130-W138 HydrophobicContact CB-CH2 3.7Å; R130-W138 HydrophobicContact CB-CZ2 3.73Å; R130-W138 HydrophobicContact CG-CH2 3.69Å; R130-W138 HydrophobicContact CG-CZ2 3.86Å; R130-W138 HydrophobicContact CG-CZ3 4.06Å; C134-W138 HydrophobicContact CB-CB 4.28Å; C134-W138 HydrophobicContact CB-CD2 3.99Å; C134-W138 HydrophobicContact CB-CE3 4.2Å; C134-W138 HydrophobicContact CB-CG 4.03Å; C134-W138 VanDerWaalsContact SG-CD1 3.53Å; C134-W138 VanDerWaalsContact SG-CD2 3.5Å; C134-W138 VanDerWaalsContact SG-CG 3.6Å; C134-W138 PolarHBondContact SG-NE1 2.85Å; C134-W138 VanDerWaalsContact SG-NE1 3.39Å; D135-W138 PolarHBondContact O-N 3.24Å; D135-W138 PolarHBondContact OD1-N 2.86Å; W138-S141 PolarHBondContact O-N 2.7Å; W138-F142 HydrophobicContact CE3-CB 4.2Å; W138-F142 HydrophobicContact CH2-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CB 3.94Å; W138-F142 HydrophobicContact CZ3-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CG 4.21Å; W138-F142 WeakPolarHBondContact O-CB 3.37Å; W138-F142 PolarHBondContact O-N 2.95Å
139W97.8Very high95.5Very high8 Ų860 Ų603%0.0333%0.325CS..Hα-helixtrans-68.7-35.2179-73.2109.3000113.5L127 R130 C134 D135 S136 L137 F142 A143 P174 F177 R178 F181L127-W139 HydrophobicContact CD2-CZ3 4.29Å; R130-W139 HydrophobicContact CG-CZ2 4.46Å; C134-W139 PolarHBondContact O-NE1 2.97Å; D135-W139 PolarHBondContact O-N 2.85Å; S136-W139 PolarHBondContact O-N 2.93Å; L137-W139 VanDerWaalsContact C-N 3.3Å; L137-W139 PolarHBondContact O-N 3.28Å; W139-F142 HydrophobicContact CE3-CD1 4.37Å; W139-A143 PolarHBondContact O-N 3.35Å; W139-A143 VanDerWaalsContact O-N 3.13Å; W139-P174 HydrophobicContact CB-CB 4.03Å; W139-F177 HydrophobicContact CE3-CB 4.09Å; W139-F177 HydrophobicContact CH2-CB 4.29Å; W139-F177 HydrophobicContact CZ3-CB 3.53Å; W139-R178 HydrophobicContact CD2-CB 3.9Å; W139-R178 HydrophobicContact CE3-CB 4.43Å; W139-R178 HydrophobicContact CG-CB 4.2Å; W139-R178 HydrophobicContact CZ2-CB 4.13Å; W139-R178 HydrophobicContact CZ2-CG 4.49Å; W139-F181 AromaticContact CH2-CD2 3.5Å; W139-F181 HydrophobicContact CH2-CD2 3.5Å; W139-F181 VanDerWaalsContact CH2-CD2 3.5Å; W139-F181 AromaticContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CG 4.39Å; W139-F181 HydrophobicContact CZ2-CD2 4.01Å
140E97.8Very high95.7Very high73 Ų7358.3 Ų58.334%0.34132%0.32SS..Hα-helixtrans-70.6-38.8172-71.3-65.1172.100112.1S136 L137 A143 T144 R170 P174S136-E140 PolarHBondContact O-N 2.92Å; S136-E140 VanDerWaalsContact O-N 3.12Å; L137-E140 PolarHBondContact O-N 2.87Å; E140-A143 PolarHBondContact O-N 2.81Å; E140-T144 PolarHBondContact O-N 3.27Å; E140-T144 PolarHBondContact O-OG1 3.27Å; E140-T144 VanDerWaalsContact O-OG1 3.11Å; E140-R170 PolarHBondContact O-NH2 3.08Å; E140-R170 IonicContact OE2-CZ 3.29Å; E140-R170 IonicContact OE2-NH1 3.15Å; E140-R170 PolarHBondContact OE2-NH1 3.48Å; E140-R170 IonicContact OE2-NH2 3.7Å; E140-R170 PolarHBondContact OE2-NH2 2.86Å; E140-P174 VanDerWaalsContact CD-CG 3.46Å; E140-P174 HydrophobicContact CG-CG 4.44Å; E140-P174 WeakPolarHBondContact OE1-CG 3.35Å; E140-P174 VanDerWaalsContact OE2-CG 3.26Å; E140-P174 WeakPolarHBondContact OE2-CG 3.46Å
141S97.7Very high95.9Very high50 Ų5056.9 Ų56.935%0.3532%0.315SS..Hα-helixtrans-59.3-51.5173.2-172.50000110.7L137 W138 A143 T144 D145L137-S141 WeakPolarHBondContact O-CB 3.45Å; L137-S141 PolarHBondContact O-N 3.48Å; W138-S141 PolarHBondContact O-N 2.7Å; S141-A143 PolarHBondContact O-N 3.2Å; S141-T144 PolarHBondContact O-N 2.76Å; S141-D145 PolarHBondContact O-N 3.35Å
142F98.2Very high96.3Very high0 Ų056.3 Ų56.30%031%0.308CS..Hα-helixtrans-53-42.9175.4168.6-92.8000112.1M123 R126 L127 W138 W139 D145 F146 F147 F177M123-F142 HydrophobicContact CG-CE2 3.72Å; M123-F142 HydrophobicContact CG-CZ 3.63Å; M123-F142 HydrophobicContact SD-CZ 4.26Å; R126-F142 HydrophobicContact CB-CD2 4.37Å; R126-F142 HydrophobicContact CB-CE2 4.45Å; R126-F142 HydrophobicContact CG-CD2 3.91Å; R126-F142 HydrophobicContact CG-CE2 4.48Å; L127-F142 HydrophobicContact CD1-CE2 4.46Å; L127-F142 HydrophobicContact CD1-CZ 4.26Å; L127-F142 HydrophobicContact CD2-CD2 4.4Å; L127-F142 HydrophobicContact CD2-CE1 4.39Å; L127-F142 HydrophobicContact CD2-CE2 3.73Å; L127-F142 HydrophobicContact CD2-CZ 3.72Å; L127-F142 HydrophobicContact CG-CE2 3.76Å; L127-F142 HydrophobicContact CG-CZ 3.95Å; W138-F142 HydrophobicContact CE3-CB 4.2Å; W138-F142 HydrophobicContact CH2-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CB 3.94Å; W138-F142 HydrophobicContact CZ3-CD2 4.43Å; W138-F142 HydrophobicContact CZ3-CG 4.21Å; W138-F142 WeakPolarHBondContact O-CB 3.37Å; W138-F142 PolarHBondContact O-N 2.95Å; W139-F142 HydrophobicContact CE3-CD1 4.37Å; F142-D145 PolarHBondContact O-N 3.04Å; F142-F146 AromaticContact CD2-CD2 3.85Å; F142-F146 HydrophobicContact CD2-CD2 3.85Å; F142-F146 AromaticContact CD2-CE2 3.94Å; F142-F146 HydrophobicContact CD2-CE2 3.94Å; F142-F146 AromaticContact CE2-CD2 3.7Å; F142-F146 HydrophobicContact CE2-CD2 3.7Å; F142-F146 AromaticContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CD2 4.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 PolarHBondContact O-N 3.39Å; F142-F147 HydrophobicContact CE1-CE2 4.45Å; F142-F177 HydrophobicContact CD1-CD2 4.5Å; F142-F177 AromaticContact CE1-CD2 3.66Å; F142-F177 HydrophobicContact CE1-CD2 3.66Å; F142-F177 AromaticContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CG 4.02Å; F142-F177 HydrophobicContact CE1-CZ 4.46Å
143A98.3Very high96.8Very high0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-70.9-31.717800000112.9W139 E140 S141 F147 P174W139-A143 PolarHBondContact O-N 3.35Å; W139-A143 VanDerWaalsContact O-N 3.13Å; E140-A143 PolarHBondContact O-N 2.81Å; S141-A143 PolarHBondContact O-N 3.2Å; A143-F147 WeakPolarHBondContact O-CA 3.43Å; A143-F147 VanDerWaalsContact O-CB 3.29Å; A143-F147 WeakPolarHBondContact O-CB 3.44Å; A143-F147 PolarHBondContact O-N 3.24Å; A143-P174 HydrophobicContact CB-CG 3.66Å
144T97.6Very high97.2Very high63 Ų6343.6 Ų43.639%0.38724%0.241SC..Hα-helixtrans-72.2-34.6173.2-60.90000112.6E140 S141 F146 R170 R242E140-T144 PolarHBondContact O-N 3.27Å; E140-T144 PolarHBondContact O-OG1 3.27Å; E140-T144 VanDerWaalsContact O-OG1 3.11Å; S141-T144 PolarHBondContact O-N 2.76Å; T144-F146 VanDerWaalsContact C-N 3.26Å; T144-F146 PolarHBondContact O-N 3.28Å; T144-R170 PolarHBondContact OG1-NH2 2.85Å; T144-R242 VanDerWaalsContact O-CD 3.32Å; T144-R242 WeakPolarHBondContact O-CD 3.33Å
145D97.3Very high97.5Very high63 Ų6343 Ų4334%0.33724%0.237SC..Hα-helixtrans-64.5-29.4179-62.3-19.8000112.2R119 R126 S141 F142R119-D145 PolarHBondContact NH2-O 3.47Å; R126-D145 IonicContact NE-OD2 2.76Å; S141-D145 PolarHBondContact O-N 3.35Å; F142-D145 PolarHBondContact O-N 3.04Å
146F97.9Very high97.7Very high12 Ų1239.7 Ų39.75%0.05322%0.221CC..Hα-helixtrans-126.4-15.3-171.2-62.9-68000116.4E122 M123 R126 F142 T144 I243E122-F146 HydrophobicContact CB-CE1 3.83Å; E122-F146 HydrophobicContact CB-CZ 4.17Å; M123-F146 VanDerWaalsContact CA-CZ 3.43Å; M123-F146 HydrophobicContact CB-CD1 3.81Å; M123-F146 HydrophobicContact CB-CD2 4.16Å; M123-F146 HydrophobicContact CB-CE1 3.79Å; M123-F146 HydrophobicContact CB-CE2 4.16Å; M123-F146 HydrophobicContact CB-CG 4.02Å; M123-F146 HydrophobicContact CB-CZ 3.99Å; M123-F146 HydrophobicContact CG-CD1 4.33Å; M123-F146 HydrophobicContact CG-CD2 3.97Å; M123-F146 HydrophobicContact CG-CE2 4.28Å; M123-F146 HydrophobicContact CG-CG 4.02Å; R126-F146 HydrophobicContact CB-CE2 3.83Å; R126-F146 HydrophobicContact CB-CZ 4.09Å; R126-F146 HydrophobicContact CG-CE2 3.99Å; F142-F146 AromaticContact CD2-CD2 3.85Å; F142-F146 HydrophobicContact CD2-CD2 3.85Å; F142-F146 AromaticContact CD2-CE2 3.94Å; F142-F146 HydrophobicContact CD2-CE2 3.94Å; F142-F146 AromaticContact CE2-CD2 3.7Å; F142-F146 HydrophobicContact CE2-CD2 3.7Å; F142-F146 AromaticContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CE2-CE2 3.88Å; F142-F146 HydrophobicContact CZ-CD2 4.26Å; F142-F146 WeakPolarHBondContact O-CD2 3.45Å; F142-F146 PolarHBondContact O-N 3.39Å; T144-F146 VanDerWaalsContact C-N 3.26Å; T144-F146 PolarHBondContact O-N 3.28Å; F146-I243 WeakPolarHBondContact O-CB 3.36Å; F146-I243 WeakPolarHBondContact O-CG1 3.48Å; F146-I243 PolarHBondContact O-N 2.92Å
147F98.5Very high97.7Very high0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-125.2146.4-177.4-63.2-98.4000112.7F142 A143 A151 I173 F177 I243 W246F142-F147 HydrophobicContact CE1-CE2 4.45Å; A143-F147 WeakPolarHBondContact O-CA 3.43Å; A143-F147 VanDerWaalsContact O-CB 3.29Å; A143-F147 WeakPolarHBondContact O-CB 3.44Å; A143-F147 PolarHBondContact O-N 3.24Å; F147-A151 HydrophobicContact CB-CB 3.96Å; F147-A151 HydrophobicContact CD1-CB 4.26Å; F147-I173 HydrophobicContact CD1-CD1 3.75Å; F147-I173 HydrophobicContact CD1-CG2 4.3Å; F147-I173 HydrophobicContact CD2-CG2 4.04Å; F147-I173 HydrophobicContact CE1-CD1 4.15Å; F147-I173 HydrophobicContact CE1-CG2 4.17Å; F147-I173 HydrophobicContact CE2-CG2 3.92Å; F147-I173 HydrophobicContact CG-CD1 4.23Å; F147-I173 HydrophobicContact CG-CG2 4.24Å; F147-I173 HydrophobicContact CZ-CG2 3.99Å; F147-F177 AromaticContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CZ 4.3Å; F147-F177 AromaticContact CZ-CE2 3.73Å; F147-F177 HydrophobicContact CZ-CE2 3.73Å; F147-F177 AromaticContact CZ-CZ 3.96Å; F147-F177 HydrophobicContact CZ-CZ 3.96Å; F147-I243 VanDerWaalsContact CA-O 3.29Å; F147-I243 WeakPolarHBondContact CA-O 3.44Å; F147-I243 HydrophobicContact CD1-CB 3.82Å; F147-I243 HydrophobicContact CD1-CG2 3.98Å; F147-I243 HydrophobicContact CE1-CB 4.01Å; F147-I243 HydrophobicContact CE1-CD1 4.29Å; F147-I243 HydrophobicContact CE1-CG2 3.89Å; F147-I243 HydrophobicContact CG-CB 4.41Å; F147-I243 HydrophobicContact CZ-CD1 4.27Å; F147-W246 HydrophobicContact CE1-CB 4.25Å; F147-W246 AromaticContact CE1-CE3 3.96Å; F147-W246 HydrophobicContact CE1-CE3 3.96Å; F147-W246 AromaticContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CZ3 4.31Å
148E97.9Very high97.4Very high27 Ų2736.2 Ų36.213%0.12620%0.197CC..EExtended strand (participates in β ladder)trans-67.4159172.8-86.1-5513100113.3D150 A151 R170 A236 R242 I243 R244E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.95Å; E148-A151 HydrophobicContact CB-CB 4.11Å; E148-A151 WeakPolarHBondContact O-CB 3.22Å; E148-A151 PolarHBondContact O-N 3.22Å; E148-A151 VanDerWaalsContact O-N 3.09Å; E148-R170 WeakPolarHBondContact O-CD 3.37Å; E148-R170 WeakPolarHBondContact O-CG 3.17Å; E148-A236 HydrophobicContact CG-CB 4.1Å; E148-R242 HydrophobicContact CG-CB 4.13Å; E148-R242 IonicContact OE1-CZ 3.42Å; E148-R242 IonicContact OE1-NE 2.85Å; E148-R242 PolarHBondContact OE1-NE 3.28Å; E148-R242 IonicContact OE1-NH2 2.78Å; E148-R242 PolarHBondContact OE1-NH2 3.26Å; E148-R242 IonicContact OE2-CZ 3.75Å; E148-R242 IonicContact OE2-NH2 3.23Å; E148-R242 PolarHBondContact OE2-NH2 3.11Å; E148-I243 PolarHBondContact N-O 3.13Å; E148-R244 HydrophobicContact CB-CB 4.25Å; E148-R244 HydrophobicContact CB-CG 4.32Å; E148-R244 HydrophobicContact CG-CB 4.14Å; E148-R244 HydrophobicContact CG-CG 4.44Å
149D97.5Very high97Very high115 Ų11534.8 Ų34.862%0.61519%0.192SC*.EExtended strand (participates in β ladder)trans-68.9-25.6179.3-70.8-50.3000112.7R242D149-R242 IonicContact OD2-NH2 2.6Å
150D97.3Very high96.6Very high87 Ų8743.6 Ų43.647%0.46523%0.234SC..EExtended strand (participates in β ladder)trans-96.49.3171.981.6-25.9000113.9E148 R244E148-D150 VanDerWaalsContact C-N 3.26Å; E148-D150 PolarHBondContact O-N 2.95Å; D150-R244 WeakPolarHBondContact OD1-CG 3.29Å; D150-R244 IonicContact OD1-NE 2.72Å; D150-R244 PolarHBondContact OD1-NE 3.44Å; D150-R244 IonicContact OD2-CZ 3.24Å; D150-R244 VanDerWaalsContact OD2-CZ 3.26Å; D150-R244 IonicContact OD2-NE 2.65Å; D150-R244 PolarHBondContact OD2-NE 3.33Å; D150-R244 IonicContact OD2-NH2 2.82Å; D150-R244 PolarHBondContact OD2-NH2 3.49Å
151A98.4Very high96.2Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-61.9148.4-169.900000114.7F147 E148 G169 R170 I173 I243 R244F147-A151 HydrophobicContact CB-CB 3.96Å; F147-A151 HydrophobicContact CD1-CB 4.26Å; E148-A151 HydrophobicContact CB-CB 4.11Å; E148-A151 WeakPolarHBondContact O-CB 3.22Å; E148-A151 PolarHBondContact O-N 3.22Å; E148-A151 VanDerWaalsContact O-N 3.09Å; A151-G169 CarbonylContact O-C 3.49Å; A151-G169 WeakPolarHBondContact O-CA 3.46Å; A151-R170 HydrophobicContact CB-CB 4.4Å; A151-R170 PolarHBondContact O-N 3.34Å; A151-I173 HydrophobicContact CB-CD1 4.19Å; A151-I243 VanDerWaalsContact CB-O 3.31Å; A151-I243 WeakPolarHBondContact CB-O 3.39Å; A151-R244 VanDerWaalsContact CA-O 3.26Å; A151-R244 WeakPolarHBondContact CA-O 3.47Å
152T98.2Very high95.9Very high56 Ų5645.5 Ų45.534%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-122.9143.117656.90000111.6I168 R244 W246T152-I168 WeakPolarHBondContact CA-O 3.38Å; T152-R244 PolarHBondContact N-O 3.42Å; T152-W246 PolarHBondContact O-N 2.83Å
153L98.6Very high95.6Very high0 Ų050.6 Ų50.60%028%0.276CS..EExtended strand (participates in β ladder)trans-126.2119.3175.2-175.1153.1000109.5T167 I168 I173 Y176 F177 W246 F290L153-T167 CarbonylContact O-C 3.6Å; L153-T167 WeakPolarHBondContact O-CA 3.39Å; L153-I168 HydrophobicContact CB-CG1 3.95Å; L153-I168 HydrophobicContact CD2-CD1 4.21Å; L153-I168 HydrophobicContact CD2-CG1 4.19Å; L153-I168 PolarHBondContact N-O 2.9Å; L153-I168 PolarHBondContact O-N 3.07Å; L153-I173 HydrophobicContact CB-CD1 3.89Å; L153-I173 HydrophobicContact CB-CG1 3.89Å; L153-I173 HydrophobicContact CD1-CG1 4.4Å; L153-I173 HydrophobicContact CD1-CG2 4.22Å; L153-Y176 HydrophobicContact CD1-CD1 3.58Å; L153-Y176 HydrophobicContact CD1-CE1 3.76Å; L153-Y176 HydrophobicContact CD1-CG 4.42Å; L153-Y176 HydrophobicContact CD2-CD1 4.09Å; L153-Y176 HydrophobicContact CD2-CE1 4.16Å; L153-Y176 HydrophobicContact CD2-CG 4.29Å; L153-F177 HydrophobicContact CD1-CE2 4.22Å; L153-F177 HydrophobicContact CD1-CZ 4.37Å; L153-W246 CarbonylContact C-O 3.57Å; L153-W246 WeakPolarHBondContact CA-O 3.46Å; L153-W246 HydrophobicContact CB-CB 4.32Å; L153-W246 HydrophobicContact CD1-CB 4.47Å; L153-W246 HydrophobicContact CD1-CD2 4.42Å; L153-W246 HydrophobicContact CD1-CG 4.07Å; L153-W246 HydrophobicContact CG-CB 4.15Å; L153-W246 HydrophobicContact CG-CG 3.95Å; L153-F290 HydrophobicContact CD2-CZ 4.31Å
154T98.2Very high95.4Very high19 Ų1953.3 Ų53.312%0.11729%0.288CS..EExtended strand (participates in β ladder)trans-114.3127.2178.2-63.10000110.2S165 Y166 T167 W246 I247 F248T154-S165 VanDerWaalsContact CG2-OG 3.29Å; T154-S165 WeakPolarHBondContact CG2-OG 3.41Å; T154-Y166 WeakPolarHBondContact CA-O 3.48Å; T154-T167 WeakPolarHBondContact OG1-CG2 3.26Å; T154-T167 PolarHBondContact OG1-OG1 3.23Å; T154-W246 PolarHBondContact N-O 2.82Å; T154-I247 HydrophobicContact CG2-CG2 4.41Å; T154-F248 PolarHBondContact O-N 2.74Å
155L97.8Very high95.2Very high1 Ų153.4 Ų53.41%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-114.6119.8169.7-171.371.3000109.9F157 S165 Y166 F248 I250 M282 F290L155-F157 HydrophobicContact CD2-CE1 4.33Å; L155-F157 HydrophobicContact CG-CD1 4.37Å; L155-S165 WeakPolarHBondContact O-CA 3.34Å; L155-Y166 PolarHBondContact N-O 2.87Å; L155-Y166 PolarHBondContact O-N 3.43Å; L155-F248 HydrophobicContact CD1-CB 3.97Å; L155-F248 HydrophobicContact CD1-CD1 3.61Å; L155-F248 HydrophobicContact CD1-CG 4.21Å; L155-I250 HydrophobicContact CD1-CD1 3.95Å; L155-I250 HydrophobicContact CD1-CG1 4.22Å; L155-I250 HydrophobicContact CG-CD1 4.45Å; L155-M282 HydrophobicContact CD2-CE 4.08Å; L155-M282 HydrophobicContact CD2-CG 3.76Å; L155-M282 HydrophobicContact CD2-SD 3.91Å; L155-F290 HydrophobicContact CB-CE1 4.49Å; L155-F290 HydrophobicContact CB-CE2 4.19Å; L155-F290 HydrophobicContact CB-CZ 3.82Å; L155-F290 HydrophobicContact CD2-CD2 4.25Å; L155-F290 HydrophobicContact CD2-CE2 3.42Å; L155-F290 VanDerWaalsContact CD2-CE2 3.42Å; L155-F290 HydrophobicContact CD2-CZ 3.9Å; L155-F290 HydrophobicContact CG-CE2 4.45Å
156A97.2Very high95.2Very high16 Ų1651.5 Ų51.513%0.13228%0.279CS..EExtended strand (participates in β ladder)trans-121.6141.6-178.600000111.8K164 F248 L249 I250A156-K164 WeakPolarHBondContact CA-O 3.25Å; A156-F248 PolarHBondContact N-O 2.87Å; A156-L249 HydrophobicContact CB-CD1 3.75Å; A156-L249 WeakPolarHBondContact O-CA 3.48Å; A156-I250 PolarHBondContact O-N 3.21Å
157F95.4Very high95.1Very high7 Ų754.7 Ų54.73%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-156.5151.7177.449.5-93000111.7L155 T159 K164 Y166 I250 Y280 L287L155-F157 HydrophobicContact CD2-CE1 4.33Å; L155-F157 HydrophobicContact CG-CD1 4.37Å; F157-T159 HydrophobicContact CD2-CG2 3.51Å; F157-T159 HydrophobicContact CE2-CG2 3.54Å; F157-K164 HydrophobicContact CE2-CB 4.36Å; F157-K164 PolarHBondContact N-O 3.41Å; F157-K164 PolarHBondContact O-N 2.93Å; F157-K164 VanDerWaalsContact O-O 3.13Å; F157-Y166 AromaticContact CE1-CD2 3.88Å; F157-Y166 HydrophobicContact CE1-CD2 3.88Å; F157-Y166 AromaticContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE2-CE2 4.39Å; F157-Y166 HydrophobicContact CZ-CD2 4.01Å; F157-Y166 AromaticContact CZ-CE2 3.52Å; F157-Y166 HydrophobicContact CZ-CE2 3.52Å; F157-I250 HydrophobicContact CB-CB 4.13Å; F157-Y280 HydrophobicContact CD2-CD1 4.08Å; F157-Y280 AromaticContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CE2 4.43Å; F157-Y280 AromaticContact CD2-CG 3.51Å; F157-Y280 HydrophobicContact CD2-CG 3.51Å; F157-Y280 AromaticContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CD2 3.44Å; F157-Y280 VanDerWaalsContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CE2 4.04Å; F157-Y280 AromaticContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CG-CG 4.3Å; F157-Y280 HydrophobicContact CZ-CD2 4.3Å; F157-L287 HydrophobicContact CE1-CD2 4.08Å; F157-L287 HydrophobicContact CZ-CD2 3.65Å
158L90.8Very high95Very high125 Ų12555 Ų5565%0.65430%0.301SS*.EExtended strand (participates in β ladder)trans-79.9136173.8-17362.6000110.4P163 Y280L158-P163 HydrophobicContact CD1-CB 4.37Å; L158-Y280 VanDerWaalsContact O-CD1 3.3Å; L158-Y280 WeakPolarHBondContact O-CD1 3.18Å; L158-Y280 WeakPolarHBondContact O-CE1 3.26Å
159T88.6Confident95Very high9 Ų955.2 Ų55.26%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-125.8168.3173.265.40000110.5F157 E161 G162 K164 Y280F157-T159 HydrophobicContact CD2-CG2 3.51Å; F157-T159 HydrophobicContact CE2-CG2 3.54Å; T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 3.43Å; T159-E161 PolarHBondContact OG1-OE2 2.91Å; T159-G162 WeakPolarHBondContact CA-O 3.46Å; T159-G162 PolarHBondContact N-O 2.91Å; T159-G162 PolarHBondContact O-N 3.18Å; T159-G162 PolarHBondContact OG1-O 2.8Å; T159-K164 HydrophobicContact CG2-CB 4.31Å; T159-K164 HydrophobicContact CG2-CD 3.93Å; T159-K164 HydrophobicContact CG2-CG 4.03Å; T159-K164 PolarHBondContact OG1-NZ 2.92Å; T159-Y280 WeakPolarHBondContact CB-OH 3.49Å; T159-Y280 HydrophobicContact CG2-CD1 4.19Å; T159-Y280 HydrophobicContact CG2-CD2 4.18Å; T159-Y280 HydrophobicContact CG2-CE1 3.71Å; T159-Y280 HydrophobicContact CG2-CE2 3.68Å; T159-Y280 HydrophobicContact CG2-CG 4.41Å; T159-Y280 VanDerWaalsContact CG2-CZ 3.42Å
160E88.4Confident95Very high193 Ų19350.8 Ų50.890%0.90229%0.285SS*.THydrogen-bonded Turntrans-59.4-32179.1-62179165.300112.1G162E160-G162 VanDerWaalsContact C-N 3.27Å; E160-G162 PolarHBondContact O-N 3.08Å
161E91.1Very high94.9Very high141 Ų14151.9 Ų51.966%0.65930%0.295SS*.THydrogen-bonded Turntrans-86.110.7176.2-35.695104.400113.4T159 K164T159-E161 WeakPolarHBondContact CB-OE2 3.44Å; T159-E161 PolarHBondContact O-N 3.43Å; T159-E161 PolarHBondContact OG1-OE2 2.91Å; E161-K164 IonicContact OE1-NZ 3.23Å; E161-K164 PolarHBondContact OE1-NZ 2.87Å; E161-K164 IonicContact OE2-NZ 3.72Å; E161-K164 PolarHBondContact OE2-NZ 3.09Å
162G90.2Very high94.8Very high21 Ų2154.2 Ų54.222%0.21631%0.308CS..EExtended strand (participates in β ladder)trans110.1-175.5-179.600000114.7T159 E160 K164T159-G162 WeakPolarHBondContact CA-O 3.46Å; T159-G162 PolarHBondContact N-O 2.91Å; T159-G162 PolarHBondContact O-N 3.18Å; T159-G162 PolarHBondContact OG1-O 2.8Å; E160-G162 VanDerWaalsContact C-N 3.27Å; E160-G162 PolarHBondContact O-N 3.08Å; G162-K164 PolarHBondContact O-N 3.49Å
163P92.6Very high94.9Very high107 Ų10751.6 Ų51.670%0.69529%0.291SS*.EExtended strand (participates in β ladder)trans-69.2130.1178.428.4-33.9000111.1L158L158-P163 HydrophobicContact CD1-CB 4.37Å
164K93.4Very high94.8Very high58 Ų5851.8 Ų51.825%0.25229%0.292SS..EExtended strand (participates in β ladder)trans-114.1140.7173.6-65.5-167.8176.7950110A156 F157 T159 E161 G162 Y166A156-K164 WeakPolarHBondContact CA-O 3.25Å; F157-K164 HydrophobicContact CE2-CB 4.36Å; F157-K164 PolarHBondContact N-O 3.41Å; F157-K164 PolarHBondContact O-N 2.93Å; F157-K164 VanDerWaalsContact O-O 3.13Å; T159-K164 HydrophobicContact CG2-CB 4.31Å; T159-K164 HydrophobicContact CG2-CD 3.93Å; T159-K164 HydrophobicContact CG2-CG 4.03Å; T159-K164 PolarHBondContact OG1-NZ 2.92Å; E161-K164 IonicContact OE1-NZ 3.23Å; E161-K164 PolarHBondContact OE1-NZ 2.87Å; E161-K164 IonicContact OE2-NZ 3.72Å; E161-K164 PolarHBondContact OE2-NZ 3.09Å; G162-K164 PolarHBondContact O-N 3.49Å; K164-Y166 HydrophobicContact CB-CE2 4.1Å
165S94.9Very high94.8Very high65 Ų6558.2 Ų58.246%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-134.6136.9177.6-171.20000109.6T154 L155T154-S165 VanDerWaalsContact CG2-OG 3.29Å; T154-S165 WeakPolarHBondContact CG2-OG 3.41Å; L155-S165 WeakPolarHBondContact O-CA 3.34Å
166Y96Very high94.8Very high23 Ų2358.2 Ų58.29%0.0931%0.314CS..EExtended strand (participates in β ladder)trans-126.8109.6-179.5-65.9-89.5000108.9T154 L155 F157 K164 F290 I294T154-Y166 WeakPolarHBondContact CA-O 3.48Å; L155-Y166 PolarHBondContact N-O 2.87Å; L155-Y166 PolarHBondContact O-N 3.43Å; F157-Y166 AromaticContact CE1-CD2 3.88Å; F157-Y166 HydrophobicContact CE1-CD2 3.88Å; F157-Y166 AromaticContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE1-CE2 3.9Å; F157-Y166 HydrophobicContact CE2-CE2 4.39Å; F157-Y166 HydrophobicContact CZ-CD2 4.01Å; F157-Y166 AromaticContact CZ-CE2 3.52Å; F157-Y166 HydrophobicContact CZ-CE2 3.52Å; K164-Y166 HydrophobicContact CB-CE2 4.1Å; Y166-F290 HydrophobicContact CD1-CB 3.6Å; Y166-F290 HydrophobicContact CD1-CG 4.3Å; Y166-F290 HydrophobicContact CE1-CB 4.09Å; Y166-F290 HydrophobicContact CG-CB 3.87Å; Y166-F290 HydrophobicContact CG-CD1 4.24Å; Y166-F290 HydrophobicContact CG-CG 4.11Å; Y166-I294 HydrophobicContact CD1-CD1 3.36Å; Y166-I294 HydrophobicContact CD1-CG1 4.01Å; Y166-I294 HydrophobicContact CE1-CD1 3.53Å; Y166-I294 HydrophobicContact CE1-CG1 4.37Å; Y166-I294 HydrophobicContact CG-CD1 4.39Å
167T96.6Very high94.8Very high78 Ų7857.4 Ų57.448%0.47931%0.308SS..EExtended strand (participates in β ladder)trans-104.8138.9176.7-57.70000110.5L153 T154L153-T167 CarbonylContact O-C 3.6Å; L153-T167 WeakPolarHBondContact O-CA 3.39Å; T154-T167 WeakPolarHBondContact OG1-CG2 3.26Å; T154-T167 PolarHBondContact OG1-OG1 3.23Å
168I96.6Very high94.9Very high7 Ų760.9 Ų60.94%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-134.7150.2174.164.8177.4000110.4T152 L153 L172 I173 Y176 F289 F290 C293T152-I168 WeakPolarHBondContact CA-O 3.38Å; L153-I168 HydrophobicContact CB-CG1 3.95Å; L153-I168 HydrophobicContact CD2-CD1 4.21Å; L153-I168 HydrophobicContact CD2-CG1 4.19Å; L153-I168 PolarHBondContact N-O 2.9Å; L153-I168 PolarHBondContact O-N 3.07Å; I168-L172 HydrophobicContact CB-CB 3.97Å; I168-L172 HydrophobicContact CB-CD1 4.25Å; I168-L172 HydrophobicContact CD1-CB 4.08Å; I168-L172 HydrophobicContact CG1-CB 4.41Å; I168-L172 HydrophobicContact CG2-CB 4.48Å; I168-L172 HydrophobicContact CG2-CD1 4.28Å; I168-I173 HydrophobicContact CD1-CG1 4.43Å; I168-I173 HydrophobicContact CG1-CG1 4.39Å; I168-Y176 HydrophobicContact CD1-CG 4.38Å; I168-F289 HydrophobicContact CD1-CE1 4.03Å; I168-F289 HydrophobicContact CD1-CZ 4.21Å; I168-F290 HydrophobicContact CD1-CE1 4.24Å; I168-F290 HydrophobicContact CG2-CD1 4.18Å; I168-F290 HydrophobicContact CG2-CE1 4.16Å; I168-C293 HydrophobicContact CG2-CB 3.97Å
169G96.9Very high95.1Very high31 Ų3155.1 Ų55.132%0.3229%0.291SS..EExtended strand (participates in β ladder)trans-90.7169.6173.200000113.6A151 T171 L172 I173A151-G169 CarbonylContact O-C 3.49Å; A151-G169 WeakPolarHBondContact O-CA 3.46Å; G169-T171 PolarHBondContact O-N 2.87Å; G169-L172 PolarHBondContact O-N 2.86Å; G169-I173 PolarHBondContact O-N 2.84Å
170R97.5Very high95.5Very high23 Ų2354.7 Ų54.79%0.08729%0.288CS..THydrogen-bonded Turntrans-42.6-34.6-177.9173.259.6-173.176.72.1116.2E140 T144 E148 A151 L172 P174E140-R170 PolarHBondContact O-NH2 3.08Å; E140-R170 IonicContact OE2-CZ 3.29Å; E140-R170 IonicContact OE2-NH1 3.15Å; E140-R170 PolarHBondContact OE2-NH1 3.48Å; E140-R170 IonicContact OE2-NH2 3.7Å; E140-R170 PolarHBondContact OE2-NH2 2.86Å; T144-R170 PolarHBondContact OG1-NH2 2.85Å; E148-R170 WeakPolarHBondContact O-CD 3.37Å; E148-R170 WeakPolarHBondContact O-CG 3.17Å; A151-R170 HydrophobicContact CB-CB 4.4Å; A151-R170 PolarHBondContact O-N 3.34Å; R170-L172 PolarHBondContact O-N 2.83Å; R170-P174 WeakPolarHBondContact O-CD 3.35Å
171T96.1Very high95.9Very high109 Ų10946 Ų4667%0.66925%0.248SC*.THydrogen-bonded Turntrans-71.5-8.9178.8560000114.7G169G169-T171 PolarHBondContact O-N 2.87Å
172L96.9Very high96Very high50 Ų5043.7 Ų43.726%0.26224%0.237SC..THydrogen-bonded Turntrans-117.5-17.2179.4-68173.2000112.9I168 G169 R170 R175 Y176 F289 C293I168-L172 HydrophobicContact CB-CB 3.97Å; I168-L172 HydrophobicContact CB-CD1 4.25Å; I168-L172 HydrophobicContact CD1-CB 4.08Å; I168-L172 HydrophobicContact CG1-CB 4.41Å; I168-L172 HydrophobicContact CG2-CB 4.48Å; I168-L172 HydrophobicContact CG2-CD1 4.28Å; G169-L172 PolarHBondContact O-N 2.86Å; R170-L172 PolarHBondContact O-N 2.83Å; L172-R175 WeakPolarHBondContact O-CA 3.47Å; L172-R175 WeakPolarHBondContact O-CB 3.3Å; L172-R175 PolarHBondContact O-N 2.9Å; L172-Y176 PolarHBondContact O-N 3.07Å; L172-F289 HydrophobicContact CB-CZ 4.28Å; L172-C293 HydrophobicContact CD1-CB 4.34Å
173I98.2Very high96.2Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-53-45.8174.9-61.6-178000112.8F147 A151 L153 I168 G169 R175 Y176 F177F147-I173 HydrophobicContact CD1-CD1 3.75Å; F147-I173 HydrophobicContact CD1-CG2 4.3Å; F147-I173 HydrophobicContact CD2-CG2 4.04Å; F147-I173 HydrophobicContact CE1-CD1 4.15Å; F147-I173 HydrophobicContact CE1-CG2 4.17Å; F147-I173 HydrophobicContact CE2-CG2 3.92Å; F147-I173 HydrophobicContact CG-CD1 4.23Å; F147-I173 HydrophobicContact CG-CG2 4.24Å; F147-I173 HydrophobicContact CZ-CG2 3.99Å; A151-I173 HydrophobicContact CB-CD1 4.19Å; L153-I173 HydrophobicContact CB-CD1 3.89Å; L153-I173 HydrophobicContact CB-CG1 3.89Å; L153-I173 HydrophobicContact CD1-CG1 4.4Å; L153-I173 HydrophobicContact CD1-CG2 4.22Å; I168-I173 HydrophobicContact CD1-CG1 4.43Å; I168-I173 HydrophobicContact CG1-CG1 4.39Å; G169-I173 PolarHBondContact O-N 2.84Å; I173-R175 PolarHBondContact O-N 3.29Å; I173-Y176 WeakPolarHBondContact O-CB 3.27Å; I173-Y176 PolarHBondContact O-N 2.84Å; I173-Y176 VanDerWaalsContact O-N 3.16Å; I173-F177 HydrophobicContact CG2-CD2 3.95Å; I173-F177 HydrophobicContact CG2-CE2 3.66Å; I173-F177 WeakPolarHBondContact O-CD2 3.41Å; I173-F177 PolarHBondContact O-N 3.47Å
174P97.7Very high96.2Very high4 Ų439.1 Ų39.13%0.02620%0.204CC..Hα-helixtrans-51.7-39.6172.2-25.328.9000113.6W139 E140 A143 R170 R178W139-P174 HydrophobicContact CB-CB 4.03Å; E140-P174 VanDerWaalsContact CD-CG 3.46Å; E140-P174 HydrophobicContact CG-CG 4.44Å; E140-P174 WeakPolarHBondContact OE1-CG 3.35Å; E140-P174 VanDerWaalsContact OE2-CG 3.26Å; E140-P174 WeakPolarHBondContact OE2-CG 3.46Å; A143-P174 HydrophobicContact CB-CG 3.66Å; R170-P174 WeakPolarHBondContact O-CD 3.35Å; P174-R178 VanDerWaalsContact O-CB 3.27Å; P174-R178 WeakPolarHBondContact O-CB 3.37Å; P174-R178 PolarHBondContact O-N 2.8Å
175R97Very high96.3Very high155 Ų15536.5 Ų36.559%0.58519%0.193SC*.Hα-helixtrans-79-30.7-177.2-59.3-175.6-176.4-161.3-1.4112.5L172 I173 S179 F289L172-R175 WeakPolarHBondContact O-CA 3.47Å; L172-R175 WeakPolarHBondContact O-CB 3.3Å; L172-R175 PolarHBondContact O-N 2.9Å; I173-R175 PolarHBondContact O-N 3.29Å; R175-S179 WeakPolarHBondContact O-CB 3.2Å; R175-S179 PolarHBondContact O-N 2.87Å; R175-F289 HydrophobicContact CB-CD2 4.3Å; R175-F289 HydrophobicContact CB-CE2 3.45Å; R175-F289 VanDerWaalsContact CB-CE2 3.45Å; R175-F289 HydrophobicContact CB-CZ 3.86Å
176Y98Very high96.3Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-58.5-58.2172.4163.2-109.6000110.9L153 I168 L172 I173 R178 S179 I180 M282 T286 F290L153-Y176 HydrophobicContact CD1-CD1 3.58Å; L153-Y176 HydrophobicContact CD1-CE1 3.76Å; L153-Y176 HydrophobicContact CD1-CG 4.42Å; L153-Y176 HydrophobicContact CD2-CD1 4.09Å; L153-Y176 HydrophobicContact CD2-CE1 4.16Å; L153-Y176 HydrophobicContact CD2-CG 4.29Å; I168-Y176 HydrophobicContact CD1-CG 4.38Å; L172-Y176 PolarHBondContact O-N 3.07Å; I173-Y176 WeakPolarHBondContact O-CB 3.27Å; I173-Y176 PolarHBondContact O-N 2.84Å; I173-Y176 VanDerWaalsContact O-N 3.16Å; Y176-R178 PolarHBondContact O-N 3.11Å; Y176-S179 PolarHBondContact O-N 2.94Å; Y176-S179 VanDerWaalsContact O-N 3.14Å; Y176-S179 PolarHBondContact O-OG 2.84Å; Y176-I180 HydrophobicContact CE1-CD1 4.29Å; Y176-I180 HydrophobicContact CE2-CD1 4.14Å; Y176-M282 HydrophobicContact CE2-CE 4.18Å; Y176-T286 HydrophobicContact CD2-CG2 3.92Å; Y176-T286 HydrophobicContact CE2-CG2 3.8Å; Y176-F290 HydrophobicContact CD2-CE1 4.23Å; Y176-F290 AromaticContact CD2-CE2 3.66Å; Y176-F290 HydrophobicContact CD2-CE2 3.66Å; Y176-F290 AromaticContact CD2-CZ 3.35Å; Y176-F290 HydrophobicContact CD2-CZ 3.35Å; Y176-F290 AromaticContact CE2-CE2 3.6Å; Y176-F290 HydrophobicContact CE2-CE2 3.6Å; Y176-F290 AromaticContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CE2-CZ 3.48Å; Y176-F290 VanDerWaalsContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CG-CZ 4.32Å
177F97.9Very high96.3Very high0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-61.3-44.4-180-71.1-73.8000111.7W139 F142 F147 L153 I173 S179 I180 F181 L188 Y190W139-F177 HydrophobicContact CE3-CB 4.09Å; W139-F177 HydrophobicContact CH2-CB 4.29Å; W139-F177 HydrophobicContact CZ3-CB 3.53Å; F142-F177 HydrophobicContact CD1-CD2 4.5Å; F142-F177 AromaticContact CE1-CD2 3.66Å; F142-F177 HydrophobicContact CE1-CD2 3.66Å; F142-F177 AromaticContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CE2 3.9Å; F142-F177 HydrophobicContact CE1-CG 4.02Å; F142-F177 HydrophobicContact CE1-CZ 4.46Å; F147-F177 AromaticContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CE2 3.8Å; F147-F177 HydrophobicContact CE2-CZ 4.3Å; F147-F177 AromaticContact CZ-CE2 3.73Å; F147-F177 HydrophobicContact CZ-CE2 3.73Å; F147-F177 AromaticContact CZ-CZ 3.96Å; F147-F177 HydrophobicContact CZ-CZ 3.96Å; L153-F177 HydrophobicContact CD1-CE2 4.22Å; L153-F177 HydrophobicContact CD1-CZ 4.37Å; I173-F177 HydrophobicContact CG2-CD2 3.95Å; I173-F177 HydrophobicContact CG2-CE2 3.66Å; I173-F177 WeakPolarHBondContact O-CD2 3.41Å; I173-F177 PolarHBondContact O-N 3.47Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.2Å; F177-I180 WeakPolarHBondContact O-CB 3.4Å; F177-I180 PolarHBondContact O-N 3.49Å; F177-I180 VanDerWaalsContact O-N 3.11Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; F177-L188 HydrophobicContact CD1-CD2 3.92Å; F177-L188 HydrophobicContact CE1-CD2 4.39Å; F177-Y190 HydrophobicContact CE1-CE2 4.1Å
178R96.5Very high96.4Very high80 Ų8034.4 Ų34.430%0.30218%0.178SC..Hα-helixtrans-53.8-42.2174.1-179.3176162.4137.910.8113S136 W139 P174 Y176 I180 F181 E182S136-R178 PolarHBondContact OG-NH1 3.23Å; W139-R178 HydrophobicContact CD2-CB 3.9Å; W139-R178 HydrophobicContact CE3-CB 4.43Å; W139-R178 HydrophobicContact CG-CB 4.2Å; W139-R178 HydrophobicContact CZ2-CB 4.13Å; W139-R178 HydrophobicContact CZ2-CG 4.49Å; P174-R178 VanDerWaalsContact O-CB 3.27Å; P174-R178 WeakPolarHBondContact O-CB 3.37Å; P174-R178 PolarHBondContact O-N 2.8Å; Y176-R178 PolarHBondContact O-N 3.11Å; R178-I180 PolarHBondContact O-N 2.94Å; R178-F181 PolarHBondContact O-N 2.58Å; R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 2.83Å; R178-E182 PolarHBondContact NE-OE1 2.92Å; R178-E182 IonicContact NH2-OE1 2.73Å; R178-E182 PolarHBondContact NH2-OE1 2.78Å; R178-E182 WeakPolarHBondContact O-CG 3.14Å; R178-E182 PolarHBondContact O-N 2.64Å
179S96.7Very high96.4Very high3 Ų337.8 Ų37.82%0.02119%0.191CC..Hα-helixtrans-62.7-25.1-179.575.70000114.1R175 Y176 F177 S183 T286R175-S179 WeakPolarHBondContact O-CB 3.2Å; R175-S179 PolarHBondContact O-N 2.87Å; Y176-S179 PolarHBondContact O-N 2.94Å; Y176-S179 VanDerWaalsContact O-N 3.14Å; Y176-S179 PolarHBondContact O-OG 2.84Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.2Å; S179-S183 PolarHBondContact O-N 3.39Å; S179-T286 WeakPolarHBondContact OG-CG2 3.32Å; S179-T286 PolarHBondContact OG-OG1 3.05Å
180I97Very high96.5Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-69.9-49.4174.5-61.5170.3000109.8Y176 F177 R178 S183 C185 L188 M215 M282 T286Y176-I180 HydrophobicContact CE1-CD1 4.29Å; Y176-I180 HydrophobicContact CE2-CD1 4.14Å; F177-I180 WeakPolarHBondContact O-CB 3.4Å; F177-I180 PolarHBondContact O-N 3.49Å; F177-I180 VanDerWaalsContact O-N 3.11Å; R178-I180 PolarHBondContact O-N 2.94Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.3Å; I180-S183 VanDerWaalsContact O-N 3.16Å; I180-S183 PolarHBondContact O-OG 3.36Å; I180-C185 HydrophobicContact CG2-CB 3.8Å; I180-C185 VanDerWaalsContact O-CB 3.31Å; I180-C185 WeakPolarHBondContact O-CB 3.23Å; I180-L188 HydrophobicContact CD1-CD2 3.93Å; I180-L188 HydrophobicContact CG2-CD2 4.36Å; I180-M215 HydrophobicContact CG2-CG 4.33Å; I180-M215 HydrophobicContact CG2-SD 3.55Å; I180-M215 VanDerWaalsContact CG2-SD 3.55Å; I180-M282 HydrophobicContact CD1-CE 4.44Å; I180-T286 HydrophobicContact CG1-CG2 4.19Å
181F95.9Very high96.5Very high12 Ų1239.1 Ų39.15%0.05319%0.193CC..Hα-helixtrans-68.7-37.4177.3-66.7-87.4000112.4L127 R130 W139 F177 R178 S183 G184 C185 G186 L188 R219L127-F181 HydrophobicContact CD2-CE2 4.09Å; L127-F181 HydrophobicContact CD2-CZ 4.33Å; R130-F181 VanDerWaalsContact NE-CE1 3.3Å; W139-F181 AromaticContact CH2-CD2 3.5Å; W139-F181 HydrophobicContact CH2-CD2 3.5Å; W139-F181 VanDerWaalsContact CH2-CD2 3.5Å; W139-F181 AromaticContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CE2 3.72Å; W139-F181 HydrophobicContact CH2-CG 4.39Å; W139-F181 HydrophobicContact CZ2-CD2 4.01Å; F177-F181 WeakPolarHBondContact O-CD2 3.48Å; R178-F181 PolarHBondContact O-N 2.58Å; F181-S183 PolarHBondContact O-N 3.46Å; F181-S183 VanDerWaalsContact O-N 3.13Å; F181-G184 PolarHBondContact O-N 3.19Å; F181-G184 VanDerWaalsContact O-N 3.11Å; F181-C185 VanDerWaalsContact CD1-O 3.25Å; F181-C185 WeakPolarHBondContact CD1-O 3.36Å; F181-G186 WeakPolarHBondContact CE1-O 3.47Å; F181-L188 HydrophobicContact CE1-CB 4.4Å; F181-L188 HydrophobicContact CE2-CB 4.09Å; F181-L188 HydrophobicContact CE2-CD2 4.07Å; F181-L188 HydrophobicContact CZ-CB 3.65Å; F181-L188 HydrophobicContact CZ-CD2 4.46Å; F181-R219 PolarHBondContact O-NH2 2.81Å
182E94.1Very high96.5Very high91 Ų9135.3 Ų35.343%0.42517%0.168SC..Hα-helixtrans-58.9-24.7171.9-74.9-179.2161.900112.6R178 R219 T285R178-E182 HydrophobicContact CG-CG 4.15Å; R178-E182 IonicContact CZ-OE1 3.46Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 2.83Å; R178-E182 PolarHBondContact NE-OE1 2.92Å; R178-E182 IonicContact NH2-OE1 2.73Å; R178-E182 PolarHBondContact NH2-OE1 2.78Å; R178-E182 WeakPolarHBondContact O-CG 3.14Å; R178-E182 PolarHBondContact O-N 2.64Å; E182-R219 VanDerWaalsContact C-NH2 3.26Å; E182-R219 PolarHBondContact O-NH1 2.84Å; E182-R219 PolarHBondContact O-NH2 3.16Å; E182-T285 HydrophobicContact CB-CG2 4.44Å
183S93.2Very high96.3Very high29 Ų2940 Ų4020%0.20318%0.182CC..THydrogen-bonded Turntrans-78.2-16.1176.8770000116.2S179 I180 F181 T283 T285S179-S183 PolarHBondContact O-N 3.39Å; I180-S183 WeakPolarHBondContact O-CB 3.44Å; I180-S183 PolarHBondContact O-N 3.3Å; I180-S183 VanDerWaalsContact O-N 3.16Å; I180-S183 PolarHBondContact O-OG 3.36Å; F181-S183 PolarHBondContact O-N 3.46Å; F181-S183 VanDerWaalsContact O-N 3.13Å; S183-T283 WeakPolarHBondContact CB-OG1 3.34Å; S183-T283 WeakPolarHBondContact OG-CB 3.43Å; S183-T283 VanDerWaalsContact OG-CG2 3.26Å; S183-T283 WeakPolarHBondContact OG-CG2 3.49Å; S183-T283 PolarHBondContact OG-OG1 2.87Å; S183-T285 WeakPolarHBondContact CB-OG1 3.39Å
184G93.3Very high95.8Very high3 Ų345.9 Ų45.93%0.03121%0.213CC..THydrogen-bonded Turntrans1240.2-178.100000115.4F181 M217 V218 R219F181-G184 PolarHBondContact O-N 3.19Å; F181-G184 VanDerWaalsContact O-N 3.11Å; G184-M217 WeakPolarHBondContact O-CA 3.07Å; G184-V218 PolarHBondContact O-N 3.46Å; G184-R219 VanDerWaalsContact CA-CZ 3.48Å; G184-R219 PolarHBondContact O-N 2.6Å
185C95.5Very high95.4Very high3 Ų347.6 Ų47.62%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-68.1127.8172.4-168.30000110.2I180 F181 E187 M217I180-C185 HydrophobicContact CG2-CB 3.8Å; I180-C185 VanDerWaalsContact O-CB 3.31Å; I180-C185 WeakPolarHBondContact O-CB 3.23Å; F181-C185 VanDerWaalsContact CD1-O 3.25Å; F181-C185 WeakPolarHBondContact CD1-O 3.36Å; C185-E187 VanDerWaalsContact SG-C 3.59Å; C185-E187 PolarHBondContact SG-O 3.39Å; C185-M217 VanDerWaalsContact CA-SD 3.57Å; C185-M217 HydrophobicContact CB-CE 4.26Å; C185-M217 HydrophobicContact CB-SD 3.77Å; C185-M217 PolarHBondContact N-SD 3.45Å; C185-M217 VanDerWaalsContact N-SD 3.43Å
186G94.6Very high95.1Very high24 Ų2445.1 Ų45.125%0.24722%0.216CC..EExtended strand (participates in β ladder)trans-93-38.1170.600000112.4F181 T216F181-G186 WeakPolarHBondContact CE1-O 3.47Å; G186-T216 PolarHBondContact N-O 2.97Å
187E96Very high94.9Very high98 Ų9850.2 Ų50.246%0.45824%0.24SC..EExtended strand (participates in β ladder)trans-130.8131.5-178.6-52173.7129.400110.9C185 M215 T216C185-E187 VanDerWaalsContact SG-C 3.59Å; C185-E187 PolarHBondContact SG-O 3.39Å; E187-M215 CarbonylContact O-C 3.56Å; E187-M215 WeakPolarHBondContact O-CA 3.25Å; E187-T216 PolarHBondContact O-N 2.7Å; E187-T216 VanDerWaalsContact OE2-CB 3.29Å; E187-T216 WeakPolarHBondContact OE2-CB 3.3Å; E187-T216 PolarHBondContact OE2-OG1 2.91Å
188L98Very high94.5Very high0 Ų056.3 Ų56.30%026%0.264CS..EExtended strand (participates in β ladder)trans-126.3131173.9171.566.8000109.1L127 F177 I180 F181 Y190 M213 T214 M215L127-L188 HydrophobicContact CD1-CD2 4.15Å; L127-L188 HydrophobicContact CD1-CG 4.28Å; F177-L188 HydrophobicContact CD1-CD2 3.92Å; F177-L188 HydrophobicContact CE1-CD2 4.39Å; I180-L188 HydrophobicContact CD1-CD2 3.93Å; I180-L188 HydrophobicContact CG2-CD2 4.36Å; F181-L188 HydrophobicContact CE1-CB 4.4Å; F181-L188 HydrophobicContact CE2-CB 4.09Å; F181-L188 HydrophobicContact CE2-CD2 4.07Å; F181-L188 HydrophobicContact CZ-CB 3.65Å; F181-L188 HydrophobicContact CZ-CD2 4.46Å; L188-Y190 HydrophobicContact CD1-CE2 4.14Å; L188-Y190 HydrophobicContact CD2-CE2 4.17Å; L188-Y190 HydrophobicContact CG-CE2 4.05Å; L188-M213 HydrophobicContact CD1-CG 3.66Å; L188-M213 HydrophobicContact CD1-SD 4.01Å; L188-T214 WeakPolarHBondContact CA-O 3.44Å; L188-M215 HydrophobicContact CD1-CG 3.7Å; L188-M215 HydrophobicContact CD1-SD 4.48Å
189Y97.8Very high94.2Very high78 Ų7857.7 Ų57.731%0.30627%0.273SS..EExtended strand (participates in β ladder)trans-150.3157.3169.865.1-91.8000112.9N124 T214N124-Y189 WeakPolarHBondContact OD1-CA 3.23Å; Y189-T214 HydrophobicContact CE1-CG2 3.85Å; Y189-T214 HydrophobicContact CE2-CG2 4.46Å; Y189-T214 PolarHBondContact N-O 2.95Å; Y189-T214 VanDerWaalsContact N-O 3.09Å; Y189-T214 PolarHBondContact O-N 3.32Å
190Y98.1Very high93.7Very high6 Ų664.6 Ų64.62%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-116.3121.2178.4-59.9-93.2000109.8M123 N124 F177 L188 M213 W246M123-Y190 HydrophobicContact CE-CD2 3.56Å; M123-Y190 HydrophobicContact CE-CE2 4.01Å; M123-Y190 HydrophobicContact CE-CG 4.42Å; N124-Y190 PolarHBondContact ND2-O 2.6Å; N124-Y190 PolarHBondContact OD1-N 3.39Å; F177-Y190 HydrophobicContact CE1-CE2 4.1Å; L188-Y190 HydrophobicContact CD1-CE2 4.14Å; L188-Y190 HydrophobicContact CD2-CE2 4.17Å; L188-Y190 HydrophobicContact CG-CE2 4.05Å; Y190-M213 HydrophobicContact CD1-CB 3.73Å; Y190-M213 HydrophobicContact CD1-CG 3.87Å; Y190-M213 HydrophobicContact CE1-CB 3.61Å; Y190-M213 HydrophobicContact CE1-CG 3.36Å; Y190-M213 HydrophobicContact CE1-SD 3.58Å; Y190-M213 VanDerWaalsContact CE1-SD 3.58Å; Y190-M213 PolarHBondContact OH-SD 2.85Å; Y190-W246 HydrophobicContact CD1-CH2 4.06Å; Y190-W246 AromaticContact CD1-CZ2 3.89Å; Y190-W246 HydrophobicContact CD1-CZ2 3.89Å; Y190-W246 AromaticContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CZ2 4.5Å; Y190-W246 HydrophobicContact CE1-CH2 4Å; Y190-W246 AromaticContact CE1-CZ2 3.54Å; Y190-W246 HydrophobicContact CE1-CZ2 3.54Å; Y190-W246 AromaticContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CZ2 4.2Å; Y190-W246 HydrophobicContact CG-CH2 4.07Å; Y190-W246 HydrophobicContact CG-CZ2 4.37Å; Y190-W246 AromaticContact CZ-CH2 3.94Å; Y190-W246 AromaticContact CZ-CZ2 3.71Å
191N96.9Very high93.3Very high77 Ų7771.3 Ų71.341%0.41234%0.335SS..EExtended strand (participates in β ladder)trans-104.8131.7172.3-171.3-65.9000108.7R193 A211 T212N191-R193 VanDerWaalsContact OD1-CG 3.27Å; N191-R193 WeakPolarHBondContact OD1-CG 3.48Å; N191-A211 WeakPolarHBondContact O-CA 3.42Å; N191-T212 PolarHBondContact N-O 3.04Å; N191-T212 PolarHBondContact O-N 2.65Å
192L96.3Very high93.1Very high28 Ų2874.5 Ų74.515%0.14736%0.357CS..  trans-112.5133.1-175.2-52.5-175.6000109.3I120 N195 L206 A211 L231I120-L192 HydrophobicContact CB-CD1 4.18Å; I120-L192 HydrophobicContact CG1-CD1 4.05Å; I120-L192 HydrophobicContact CG2-CD1 3.99Å; I120-L192 HydrophobicContact CG2-CG 4.29Å; L192-N195 VanDerWaalsContact C-OD1 3.24Å; L192-N195 WeakPolarHBondContact CB-ND2 3.46Å; L192-N195 WeakPolarHBondContact CB-OD1 3.45Å; L192-L206 HydrophobicContact CD1-CD1 3.84Å; L192-L206 HydrophobicContact CD1-CD2 3.97Å; L192-A211 HydrophobicContact CD2-CB 3.94Å; L192-L231 HydrophobicContact CD2-CB 4.4Å; L192-L231 HydrophobicContact CD2-CD2 3.51Å
193R93.1Very high93Very high149 Ų14972 Ų7256%0.56235%0.347SS*.  trans-145.5142.6-175.7-50.4176.665-156.3-1.9110N191 N195 S208 S210N191-R193 VanDerWaalsContact OD1-CG 3.27Å; N191-R193 WeakPolarHBondContact OD1-CG 3.48Å; R193-N195 VanDerWaalsContact C-OD1 3.24Å; R193-N195 WeakPolarHBondContact CA-OD1 3.12Å; R193-N195 PolarHBondContact N-OD1 3.23Å; R193-S208 PolarHBondContact N-OG 3.41Å; R193-S208 PolarHBondContact O-OG 3.18Å; R193-S210 WeakPolarHBondContact CB-O 3.49Å; R193-S210 PolarHBondContact N-O 2.87Å; R193-S210 CarbonylContact O-C 3.55Å; R193-S210 WeakPolarHBondContact O-CA 3.48Å; R193-S210 WeakPolarHBondContact O-CB 3.3Å; R193-S210 PolarHBondContact O-N 3.39Å
194L88.3Confident93.1Very high123 Ų12371.1 Ų71.164%0.64434%0.339SS*.SBendtrans57.258.1-173-50176.9000109.8E209L194-E209 PolarHBondContact O-N 3.22Å
195N88.3Confident93.2Very high41 Ų4172.3 Ų72.322%0.21935%0.346CS..EExtended strand (participates in β ladder)trans-86.7140.4-178.1-52.8-1000109.4E117 L192 R193 D207 S208E117-N195 WeakPolarHBondContact CG-ND2 3.39Å; E117-N195 WeakPolarHBondContact OE1-CB 3.4Å; E117-N195 PolarHBondContact OE1-ND2 3.46Å; L192-N195 VanDerWaalsContact C-OD1 3.24Å; L192-N195 WeakPolarHBondContact CB-ND2 3.46Å; L192-N195 WeakPolarHBondContact CB-OD1 3.45Å; R193-N195 VanDerWaalsContact C-OD1 3.24Å; R193-N195 WeakPolarHBondContact CA-OD1 3.12Å; R193-N195 PolarHBondContact N-OD1 3.23Å; N195-D207 CarbonylContact C-O 3.24Å; N195-D207 WeakPolarHBondContact CA-O 3.38Å; N195-S208 WeakPolarHBondContact OD1-CB 3.49Å; N195-S208 PolarHBondContact OD1-OG 3.2Å
196H92.3Very high93.2Very high102 Ų10272.2 Ų72.247%0.47235%0.345SS..EExtended strand (participates in β ladder)trans-122.6124.2169.5-65.3-66000109.3Y198 D207H196-Y198 HydrophobicContact CB-CD2 4.46Å; H196-Y198 HydrophobicContact CB-CE2 3.57Å; H196-D207 PolarHBondContact N-O 2.88Å; H196-D207 PolarHBondContact O-N 3.2Å
197E92.3Very high93.3Very high107 Ų10771.8 Ų71.850%0.534%0.338SS..EExtended strand (participates in β ladder)trans-95.6128.7176.9-65.1174.2-101.700110P116 T205P116-E197 VanDerWaalsContact CD-OE2 3.31Å; P116-E197 WeakPolarHBondContact CD-OE2 3.4Å; P116-E197 HydrophobicContact CG-CG 4.02Å; E197-T205 CarbonylContact C-O 3.6Å; E197-T205 WeakPolarHBondContact CA-O 3.44Å
198Y91Very high93.3Very high129 Ų12967.1 Ų67.151%0.50632%0.316SS..EExtended strand (participates in β ladder)trans-125114.5176.2-54.8-88.8000109.3H196 T205 D207H196-Y198 HydrophobicContact CB-CD2 4.46Å; H196-Y198 HydrophobicContact CB-CE2 3.57Å; Y198-T205 PolarHBondContact N-O 3.42Å; Y198-T205 PolarHBondContact O-N 2.82Å; Y198-D207 HydrophobicContact CE2-CB 4.14Å
199F89.4Confident93.2Very high109 Ų10971.7 Ų71.748%0.47834%0.337SS..EExtended strand (participates in β ladder)trans-93.8119.9176.6-178.2-121.5000111.5H201 I203 L204 F237F199-H201 HydrophobicContact CE1-CB 4.13Å; F199-H201 HydrophobicContact CE2-CB 4.3Å; F199-H201 HydrophobicContact CZ-CB 3.67Å; F199-I203 VanDerWaalsContact CD2-O 3.3Å; F199-I203 WeakPolarHBondContact CD2-O 3.4Å; F199-L204 HydrophobicContact CB-CD1 4.07Å; F199-L204 HydrophobicContact CD2-CB 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.35Å; F199-F237 AromaticContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CE2 4.1Å; F199-F237 HydrophobicContact CD2-CG 4.29Å; F199-F237 HydrophobicContact CE2-CB 3.88Å; F199-F237 AromaticContact CE2-CD1 3.81Å; F199-F237 HydrophobicContact CE2-CD1 3.81Å; F199-F237 AromaticContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CE1 4.17Å; F199-F237 AromaticContact CE2-CE2 3.78Å; F199-F237 HydrophobicContact CE2-CE2 3.78Å; F199-F237 AromaticContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CZ 4.16Å; F199-F237 AromaticContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD2 4.18Å; F199-F237 HydrophobicContact CZ-CE1 4.04Å; F199-F237 HydrophobicContact CZ-CE2 4.3Å; F199-F237 HydrophobicContact CZ-CG 4.02Å; F199-F237 HydrophobicContact CZ-CZ 4.23Å
200H87.3Confident93.1Very high147 Ų14770 Ų7068%0.68134%0.337SS*.EExtended strand (participates in β ladder)trans-136.286.9172.6-179.7-68000108.8I203H200-I203 CarbonylContact C-O 3.47Å; H200-I203 VanDerWaalsContact C-O 3.24Å; H200-I203 PolarHBondContact N-O 2.73Å; H200-I203 WeakPolarHBondContact O-CA 3.33Å; H200-I203 PolarHBondContact O-N 3.29Å; H200-I203 VanDerWaalsContact O-O 3.11Å
201H86.9Confident93.1Very high142 Ų14269.8 Ų69.866%0.65734%0.336SS*.THydrogen-bonded Turntrans-39.7126.9-177.6-170-50.6000112.7F199F199-H201 HydrophobicContact CE1-CB 4.13Å; F199-H201 HydrophobicContact CE2-CB 4.3Å; F199-H201 HydrophobicContact CZ-CB 3.67Å
202P91.9Very high93.2Very high79 Ų7967.3 Ų67.351%0.51332%0.324SS..THydrogen-bonded Turncis-94.226.57.739.7-37.2000114.4F237P202-F237 WeakPolarHBondContact O-CB 3.46Å; P202-F237 PolarHBondContact O-N 3.18Å
203I92.9Very high93.3Very high39 Ų3966 Ų6620%0.232%0.317CS..EExtended strand (participates in β ladder)trans-116.9140.7-174.7-60.6175.7000110.7F199 H200 D234 F235F199-I203 VanDerWaalsContact CD2-O 3.3Å; F199-I203 WeakPolarHBondContact CD2-O 3.4Å; H200-I203 CarbonylContact C-O 3.47Å; H200-I203 VanDerWaalsContact C-O 3.24Å; H200-I203 PolarHBondContact N-O 2.73Å; H200-I203 WeakPolarHBondContact O-CA 3.33Å; H200-I203 PolarHBondContact O-N 3.29Å; H200-I203 VanDerWaalsContact O-O 3.11Å; I203-D234 HydrophobicContact CG2-CB 3.76Å; I203-F235 WeakPolarHBondContact CA-O 3.32Å
204L94.3Very high93.5Very high9 Ų959.2 Ų59.25%0.04729%0.292CS..EExtended strand (participates in β ladder)trans-114.7113.2165.3177.864.8000109G114 P116 F199 F235 F237 M241G114-L204 WeakPolarHBondContact O-CD2 3.27Å; P116-L204 HydrophobicContact CB-CD2 4.27Å; P116-L204 HydrophobicContact CG-CD2 3.94Å; P116-L204 HydrophobicContact CG-CG 4.48Å; F199-L204 HydrophobicContact CB-CD1 4.07Å; F199-L204 HydrophobicContact CD2-CB 4.36Å; F199-L204 HydrophobicContact CD2-CD1 4.35Å; L204-F235 HydrophobicContact CB-CB 4.45Å; L204-F235 PolarHBondContact N-O 3.27Å; L204-F235 PolarHBondContact O-N 2.86Å; L204-F237 HydrophobicContact CB-CD2 4.18Å; L204-M241 HydrophobicContact CD2-CE 3.67Å; L204-M241 HydrophobicContact CD2-SD 4.39Å
205T95.3Very high94Very high29 Ų2953.3 Ų53.318%0.17826%0.261CS..EExtended strand (participates in β ladder)trans-94.7119.3178.8-54.50000110.1E197 Y198 T232 L233 D234E197-T205 CarbonylContact C-O 3.6Å; E197-T205 WeakPolarHBondContact CA-O 3.44Å; Y198-T205 PolarHBondContact N-O 3.42Å; Y198-T205 PolarHBondContact O-N 2.82Å; T205-T232 HydrophobicContact CG2-CG2 3.88Å; T205-L233 CarbonylContact C-O 3.5Å; T205-L233 VanDerWaalsContact CA-O 3.27Å; T205-L233 WeakPolarHBondContact CA-O 3.49Å; T205-D234 WeakPolarHBondContact CB-OD1 3.4Å; T205-D234 WeakPolarHBondContact CG2-OD1 3.25Å; T205-D234 PolarHBondContact OG1-OD1 3.18Å
206L95.5Very high94.4Very high0 Ų052.9 Ų52.90%026%0.26CS..EExtended strand (participates in β ladder)trans-94.7124.9164.8-179.6167.9000108.3P116 E117 L192 T232 L233 F235P116-L206 HydrophobicContact CB-CB 4.17Å; P116-L206 HydrophobicContact CB-CD1 3.85Å; P116-L206 HydrophobicContact CG-CB 4.19Å; P116-L206 HydrophobicContact CG-CD1 3.94Å; P116-L206 HydrophobicContact CG-CG 4.48Å; E117-L206 HydrophobicContact CG-CD1 4.23Å; E117-L206 WeakPolarHBondContact OE1-CD1 3.33Å; L192-L206 HydrophobicContact CD1-CD1 3.84Å; L192-L206 HydrophobicContact CD1-CD2 3.97Å; L206-T232 CarbonylContact O-C 3.5Å; L206-T232 WeakPolarHBondContact O-CA 3.49Å; L206-L233 HydrophobicContact CB-CB 4.41Å; L206-L233 PolarHBondContact N-O 3.29Å; L206-L233 PolarHBondContact O-N 3.43Å; L206-F235 HydrophobicContact CB-CE2 4.18Å
207D96.7Very high94.5Very high16 Ų1648.4 Ų48.49%0.08624%0.24CC..EExtended strand (participates in β ladder)trans-119.1106172.6-170.340.6000111.1N195 H196 Y198 R230 T232N195-D207 CarbonylContact C-O 3.24Å; N195-D207 WeakPolarHBondContact CA-O 3.38Å; H196-D207 PolarHBondContact N-O 2.88Å; H196-D207 PolarHBondContact O-N 3.2Å; Y198-D207 HydrophobicContact CE2-CB 4.14Å; D207-R230 VanDerWaalsContact CG-NH2 3.26Å; D207-R230 IonicContact OD1-CZ 3.58Å; D207-R230 IonicContact OD1-NE 2.81Å; D207-R230 PolarHBondContact OD1-NE 3.03Å; D207-R230 IonicContact OD1-NH2 3.36Å; D207-R230 PolarHBondContact OD1-NH2 3.33Å; D207-R230 IonicContact OD2-CZ 3.42Å; D207-R230 VanDerWaalsContact OD2-CZ 3.24Å; D207-R230 IonicContact OD2-NE 3.2Å; D207-R230 PolarHBondContact OD2-NE 3.2Å; D207-R230 IonicContact OD2-NH2 2.7Å; D207-R230 PolarHBondContact OD2-NH2 2.94Å; D207-T232 HydrophobicContact CB-CG2 4.26Å; D207-T232 PolarHBondContact OD1-OG1 3.14Å
208S96.6Very high94.4Very high0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-100.5103.1179166.10000109.6R193 N195 S210 A211 R230 L231R193-S208 PolarHBondContact N-OG 3.41Å; R193-S208 PolarHBondContact O-OG 3.18Å; N195-S208 WeakPolarHBondContact OD1-CB 3.49Å; N195-S208 PolarHBondContact OD1-OG 3.2Å; S208-S210 VanDerWaalsContact C-N 3.27Å; S208-S210 PolarHBondContact O-N 2.8Å; S208-A211 WeakPolarHBondContact OG-CB 3.31Å; S208-A211 PolarHBondContact OG-N 3.4Å; S208-R230 WeakPolarHBondContact O-CA 3.34Å; S208-L231 PolarHBondContact N-O 3.4Å; S208-L231 PolarHBondContact O-N 2.79Å
209E96.3Very high94.1Very high96 Ų9648 Ų4845%0.44924%0.243SC..EExtended strand (participates in β ladder)trans-66.2-29.2179.4-179.9162.1-150.200112.8L194 G229 R251L194-E209 PolarHBondContact O-N 3.22Å; E209-G229 VanDerWaalsContact O-O 3.14Å; E209-R251 PolarHBondContact O-NH1 2.91Å; E209-R251 IonicContact OE1-CZ 3.97Å; E209-R251 IonicContact OE1-NH1 3.02Å; E209-R251 PolarHBondContact OE1-NH1 3.42Å; E209-R251 IonicContact OE1-NH2 3.94Å; E209-R251 PolarHBondContact OE1-NH2 3.11Å
210S96.2Very high93.6Very high42 Ų4248.4 Ų48.429%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-117.255.2-178.5-164.70000111.5R193 S208R193-S210 WeakPolarHBondContact CB-O 3.49Å; R193-S210 PolarHBondContact N-O 2.87Å; R193-S210 CarbonylContact O-C 3.55Å; R193-S210 WeakPolarHBondContact O-CA 3.48Å; R193-S210 WeakPolarHBondContact O-CB 3.3Å; R193-S210 PolarHBondContact O-N 3.39Å; S208-S210 VanDerWaalsContact C-N 3.27Å; S208-S210 PolarHBondContact O-N 2.8Å
211A97.8Very high93.6Very high2 Ų241.9 Ų41.92%0.01723%0.229CC..EExtended strand (participates in β ladder)trans-75.9140.5172.600000111.3N191 L192 S208 G229 L231 F248N191-A211 WeakPolarHBondContact O-CA 3.42Å; L192-A211 HydrophobicContact CD2-CB 3.94Å; S208-A211 WeakPolarHBondContact OG-CB 3.31Å; S208-A211 PolarHBondContact OG-N 3.4Å; A211-G229 PolarHBondContact N-O 2.94Å; A211-G229 PolarHBondContact O-N 2.89Å; A211-G229 VanDerWaalsContact O-O 3.06Å; A211-L231 HydrophobicContact CB-CB 3.44Å; A211-L231 VanDerWaalsContact CB-CB 3.44Å; A211-F248 HydrophobicContact CB-CE2 4.29Å
212T98.1Very high93.8Very high25 Ų2537 Ų3715%0.15321%0.209CC..EExtended strand (participates in β ladder)trans-127.4119.2172.468.60000111.4N191 V227 E228N191-T212 PolarHBondContact N-O 3.04Å; N191-T212 PolarHBondContact O-N 2.65Å; T212-V227 CarbonylContact C-O 3.58Å; T212-V227 VanDerWaalsContact CA-O 3.29Å; T212-V227 WeakPolarHBondContact CA-O 3.26Å; T212-E228 HydrophobicContact CG2-CG 4.11Å
213M98.4Very high94Very high0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-87.8124.4166.6-179.8-175.574.700108.2L188 Y190 M215 V227 F248 M282L188-M213 HydrophobicContact CD1-CG 3.66Å; L188-M213 HydrophobicContact CD1-SD 4.01Å; Y190-M213 HydrophobicContact CD1-CB 3.73Å; Y190-M213 HydrophobicContact CD1-CG 3.87Å; Y190-M213 HydrophobicContact CE1-CB 3.61Å; Y190-M213 HydrophobicContact CE1-CG 3.36Å; Y190-M213 HydrophobicContact CE1-SD 3.58Å; Y190-M213 VanDerWaalsContact CE1-SD 3.58Å; Y190-M213 PolarHBondContact OH-SD 2.85Å; M213-M215 HydrophobicContact CE-CE 3.82Å; M213-M215 HydrophobicContact CE-CG 4.43Å; M213-M215 HydrophobicContact CE-SD 3.95Å; M213-V227 HydrophobicContact CB-CB 4.3Å; M213-V227 HydrophobicContact CE-CB 4.01Å; M213-V227 HydrophobicContact CE-CG1 4.4Å; M213-V227 HydrophobicContact CE-CG2 3.69Å; M213-V227 PolarHBondContact N-O 3.13Å; M213-V227 PolarHBondContact O-N 2.93Å; M213-F248 HydrophobicContact CB-CE1 3.82Å; M213-F248 HydrophobicContact CB-CZ 3.89Å; M213-F248 HydrophobicContact CE-CE1 4.35Å; M213-F248 HydrophobicContact SD-CE1 4.23Å; M213-M282 HydrophobicContact CE-CE 4.27Å; M213-M282 HydrophobicContact CE-SD 3.61Å
214T98.1Very high94.2Very high6 Ų633.6 Ų33.64%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-115.2135.8176.3-58.80000110.5L188 Y189 T224 V225 V226L188-T214 WeakPolarHBondContact CA-O 3.44Å; Y189-T214 HydrophobicContact CE1-CG2 3.85Å; Y189-T214 HydrophobicContact CE2-CG2 4.46Å; Y189-T214 PolarHBondContact N-O 2.95Å; Y189-T214 VanDerWaalsContact N-O 3.09Å; Y189-T214 PolarHBondContact O-N 3.32Å; T214-T224 HydrophobicContact CG2-CG2 3.63Å; T214-V225 WeakPolarHBondContact CA-O 3.34Å; T214-V226 HydrophobicContact CG2-CG2 4.11Å
215M97.7Very high94.3Very high0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-128.2117.6179.2-62.8-176.8-65.800110.1I180 E187 L188 M213 M217 V225 V227 G281I180-M215 HydrophobicContact CG2-CG 4.33Å; I180-M215 HydrophobicContact CG2-SD 3.55Å; I180-M215 VanDerWaalsContact CG2-SD 3.55Å; E187-M215 CarbonylContact O-C 3.56Å; E187-M215 WeakPolarHBondContact O-CA 3.25Å; L188-M215 HydrophobicContact CD1-CG 3.7Å; L188-M215 HydrophobicContact CD1-SD 4.48Å; M213-M215 HydrophobicContact CE-CE 3.82Å; M213-M215 HydrophobicContact CE-CG 4.43Å; M213-M215 HydrophobicContact CE-SD 3.95Å; M215-M217 HydrophobicContact CB-CE 3.73Å; M215-M217 HydrophobicContact CE-CE 3.79Å; M215-M217 HydrophobicContact CG-CE 4.39Å; M215-M217 PolarHBondContact O-N 3.17Å; M215-M217 HydrophobicContact SD-CE 3.85Å; M215-V225 HydrophobicContact CB-CB 4.35Å; M215-V225 HydrophobicContact CE-CB 4.02Å; M215-V225 HydrophobicContact CE-CG1 3.95Å; M215-V225 PolarHBondContact N-O 3.11Å; M215-V225 PolarHBondContact O-N 2.88Å; M215-V227 HydrophobicContact CE-CG2 4.39Å; M215-G281 WeakPolarHBondContact CE-O 3.49Å
216T96.5Very high94.4Very high32 Ų3233 Ų3320%0.19619%0.185CC..EExtended strand (participates in β ladder)trans-87.1103.9171.8-54.30000108.6G186 E187 V218G186-T216 PolarHBondContact N-O 2.97Å; E187-T216 PolarHBondContact O-N 2.7Å; E187-T216 VanDerWaalsContact OE2-CB 3.29Å; E187-T216 WeakPolarHBondContact OE2-CB 3.3Å; E187-T216 PolarHBondContact OE2-OG1 2.91Å; T216-V218 HydrophobicContact CG2-CG1 4.14Å
217M94.9Very high94.6Very high8 Ų833 Ų334%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-80.4128.6174.4-56.7-65.517400109.5G184 C185 M215 P222 V223 V225 I277 T283G184-M217 WeakPolarHBondContact O-CA 3.07Å; C185-M217 VanDerWaalsContact CA-SD 3.57Å; C185-M217 HydrophobicContact CB-CE 4.26Å; C185-M217 HydrophobicContact CB-SD 3.77Å; C185-M217 PolarHBondContact N-SD 3.45Å; C185-M217 VanDerWaalsContact N-SD 3.43Å; M215-M217 HydrophobicContact CB-CE 3.73Å; M215-M217 HydrophobicContact CE-CE 3.79Å; M215-M217 HydrophobicContact CG-CE 4.39Å; M215-M217 PolarHBondContact O-N 3.17Å; M215-M217 HydrophobicContact SD-CE 3.85Å; M217-P222 WeakPolarHBondContact O-CA 3.48Å; M217-V223 VanDerWaalsContact CB-O 3.32Å; M217-V223 WeakPolarHBondContact CB-O 3.35Å; M217-V223 PolarHBondContact N-O 2.9Å; M217-V223 PolarHBondContact O-N 3.22Å; M217-V225 HydrophobicContact CE-CG2 4.08Å; M217-V225 HydrophobicContact CG-CG2 4.13Å; M217-I277 HydrophobicContact CB-CD1 4.12Å; M217-I277 HydrophobicContact CG-CD1 3.66Å; M217-T283 HydrophobicContact CE-CG2 3.36Å; M217-T283 HydrophobicContact SD-CG2 4.3Å
218V91.6Very high94.6Very high91 Ų9134.7 Ų34.755%0.55219%0.193SC*.  trans-118.8-16.5-174.6-610000113.5G184 T216G184-V218 PolarHBondContact O-N 3.46Å; T216-V218 HydrophobicContact CG2-CG1 4.14Å
219R83.3Confident94.7Very high137 Ų13734.9 Ų34.952%0.51720%0.195SC..SBendtrans-89.8147174.1-71.5-166.9-92.5124.1-8.7111.2F181 E182 G184 I221F181-R219 PolarHBondContact O-NH2 2.81Å; E182-R219 VanDerWaalsContact C-NH2 3.26Å; E182-R219 PolarHBondContact O-NH1 2.84Å; E182-R219 PolarHBondContact O-NH2 3.16Å; G184-R219 VanDerWaalsContact CA-CZ 3.48Å; G184-R219 PolarHBondContact O-N 2.6Å; R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.85Å
220S80.3Confident94.7Very high117 Ų11735 Ų3582%0.81819%0.191SC*.SBendtrans54.3-70.3-172.462.40000116.1
221I86.1Confident94.8Very high10 Ų1033 Ų335%0.05118%0.177CC..SBendtrans-125.3121.1-177.2-58.2168.5000107.8R219 V223 M261 Q272 L273R219-I221 VanDerWaalsContact C-N 3.3Å; R219-I221 PolarHBondContact O-N 2.85Å; I221-V223 HydrophobicContact CB-CG2 4.22Å; I221-V223 HydrophobicContact CG2-CG2 3.65Å; I221-V223 PolarHBondContact O-N 2.94Å; I221-V223 VanDerWaalsContact O-N 3.08Å; I221-M261 HydrophobicContact CG2-SD 3.86Å; I221-Q272 HydrophobicContact CD1-CG 3.98Å; I221-L273 HydrophobicContact CD1-CD2 4.21Å; I221-L273 HydrophobicContact CG2-CD2 3.6Å
222P92Very high94.8Very high38 Ų3834.3 Ų34.325%0.24719%0.185CC..  trans-69.2104.4176.427.1-34.2000111.3M217 M258 M261M217-P222 WeakPolarHBondContact O-CA 3.48Å; P222-M258 HydrophobicContact CB-CE 3.89Å; P222-M258 HydrophobicContact CG-CE 3.64Å; P222-M261 HydrophobicContact CG-CE 3.74Å; P222-M261 HydrophobicContact CG-SD 3.93Å
223V94.8Very high94.8Very high4 Ų433.1 Ų33.12%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-131.2129.6-177.5-177.30000109.7M217 I221 V225 E255 M256 I257 I277M217-V223 VanDerWaalsContact CB-O 3.32Å; M217-V223 WeakPolarHBondContact CB-O 3.35Å; M217-V223 PolarHBondContact N-O 2.9Å; M217-V223 PolarHBondContact O-N 3.22Å; I221-V223 HydrophobicContact CB-CG2 4.22Å; I221-V223 HydrophobicContact CG2-CG2 3.65Å; I221-V223 PolarHBondContact O-N 2.94Å; I221-V223 VanDerWaalsContact O-N 3.08Å; V223-V225 HydrophobicContact CG1-CG2 4.3Å; V223-E255 HydrophobicContact CG1-CB 3.89Å; V223-M256 WeakPolarHBondContact CA-O 3.32Å; V223-I257 HydrophobicContact CG2-CG1 4.24Å; V223-I277 HydrophobicContact CB-CD1 3.88Å; V223-I277 HydrophobicContact CG1-CD1 4.14Å; V223-I277 HydrophobicContact CG1-CG1 4.49Å; V223-I277 HydrophobicContact CG2-CD1 4.16Å
224T96.8Very high94.7Very high44 Ų4435.1 Ų35.127%0.2719%0.188SC..EExtended strand (participates in β ladder)trans-91.3113.9167.5-50.60000108.9T214 V226 M256T214-T224 HydrophobicContact CG2-CG2 3.63Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; T224-M256 HydrophobicContact CG2-CE 3.8Å; T224-M256 PolarHBondContact N-O 3.11Å; T224-M256 PolarHBondContact O-N 2.62Å
225V97.3Very high94.7Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-92.7123174-172.10000108.4T214 M215 M217 V223 V227 R254 E255 I277 T278T214-V225 WeakPolarHBondContact CA-O 3.34Å; M215-V225 HydrophobicContact CB-CB 4.35Å; M215-V225 HydrophobicContact CE-CB 4.02Å; M215-V225 HydrophobicContact CE-CG1 3.95Å; M215-V225 PolarHBondContact N-O 3.11Å; M215-V225 PolarHBondContact O-N 2.88Å; M217-V225 HydrophobicContact CE-CG2 4.08Å; M217-V225 HydrophobicContact CG-CG2 4.13Å; V223-V225 HydrophobicContact CG1-CG2 4.3Å; V225-V227 HydrophobicContact CG1-CG2 3.96Å; V225-R254 WeakPolarHBondContact CA-O 3.41Å; V225-E255 HydrophobicContact CG1-CG 4.29Å; V225-E255 HydrophobicContact CG2-CG 4.26Å; V225-I277 HydrophobicContact CG2-CD1 4.2Å; V225-T278 HydrophobicContact CB-CG2 4.46Å; V225-T278 HydrophobicContact CG1-CG2 3.91Å; V225-T278 HydrophobicContact CG2-CG2 3.81Å
226V97.9Very high94.5Very high24 Ų2435.6 Ų35.615%0.14519%0.193CC..EExtended strand (participates in β ladder)trans-113.3122.2174.3178.30000108.4T214 T224 E228 H253 R254 M256T214-V226 HydrophobicContact CG2-CG2 4.11Å; T224-V226 HydrophobicContact CG2-CG2 4.31Å; V226-E228 HydrophobicContact CG1-CG 4.43Å; V226-H253 CarbonylContact O-C 3.57Å; V226-H253 VanDerWaalsContact O-CA 3.26Å; V226-H253 WeakPolarHBondContact O-CA 3.49Å; V226-R254 PolarHBondContact N-O 2.86Å; V226-R254 PolarHBondContact O-N 2.96Å; V226-M256 HydrophobicContact CG2-CE 3.68Å
227V98.4Very high94.2Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-115115.5-177.2-173.70000108.4T212 M213 M215 V225 F248 I250 H253 G281T212-V227 CarbonylContact C-O 3.58Å; T212-V227 VanDerWaalsContact CA-O 3.29Å; T212-V227 WeakPolarHBondContact CA-O 3.26Å; M213-V227 HydrophobicContact CB-CB 4.3Å; M213-V227 HydrophobicContact CE-CB 4.01Å; M213-V227 HydrophobicContact CE-CG1 4.4Å; M213-V227 HydrophobicContact CE-CG2 3.69Å; M213-V227 PolarHBondContact N-O 3.13Å; M213-V227 PolarHBondContact O-N 2.93Å; M215-V227 HydrophobicContact CE-CG2 4.39Å; V225-V227 HydrophobicContact CG1-CG2 3.96Å; V227-F248 HydrophobicContact CG1-CE1 4.05Å; V227-F248 HydrophobicContact CG1-CZ 4.12Å; V227-I250 HydrophobicContact CG1-CB 4.16Å; V227-I250 HydrophobicContact CG1-CD1 3.69Å; V227-I250 HydrophobicContact CG1-CG1 3.65Å; V227-I250 HydrophobicContact CG1-CG2 3.53Å; V227-H253 HydrophobicContact CG2-CB 4.19Å; V227-G281 WeakPolarHBondContact CG2-O 3.36Å
228E97.9Very high93.9Very high53 Ų5341.5 Ų41.525%0.24822%0.219CC..EExtended strand (participates in β ladder)trans-99.5131.8-175.8-64.8168.5-161.800109.4T212 V226 R251 T252 R254T212-E228 HydrophobicContact CG2-CG 4.11Å; V226-E228 HydrophobicContact CG1-CG 4.43Å; E228-R251 PolarHBondContact O-N 2.88Å; E228-T252 HydrophobicContact CB-CG2 3.8Å; E228-T252 HydrophobicContact CG-CG2 4.34Å; E228-T252 PolarHBondContact N-O 3.24Å; E228-T252 PolarHBondContact O-N 3.02Å; E228-T252 WeakPolarHBondContact OE2-CG2 3.36Å; E228-R254 IonicContact OE1-CZ 2.98Å; E228-R254 IonicContact OE1-NE 2.75Å; E228-R254 PolarHBondContact OE1-NE 3.28Å; E228-R254 IonicContact OE1-NH2 2.72Å; E228-R254 PolarHBondContact OE1-NH2 2.93Å; E228-R254 IonicContact OE2-CZ 2.86Å; E228-R254 IonicContact OE2-NE 3.2Å; E228-R254 IonicContact OE2-NH2 2.71Å; E228-R254 PolarHBondContact OE2-NH2 3.41Å
229G97.4Very high93.8Very high3 Ų344.9 Ų44.93%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-166.2-178-175.200000113.9E209 A211 L249E209-G229 VanDerWaalsContact O-O 3.14Å; A211-G229 PolarHBondContact N-O 2.94Å; A211-G229 PolarHBondContact O-N 2.89Å; A211-G229 VanDerWaalsContact O-O 3.06Å; G229-L249 CarbonylContact C-O 3.53Å; G229-L249 WeakPolarHBondContact CA-O 3.41Å
230R97.6Very high94.2Very high100 Ų10043 Ų4338%0.37723%0.234SC..EExtended strand (participates in β ladder)trans-95.9130.9166176.8175.2177.9-170.9-1.5108.4D207 S208 F248 L249D207-R230 VanDerWaalsContact CG-NH2 3.26Å; D207-R230 IonicContact OD1-CZ 3.58Å; D207-R230 IonicContact OD1-NE 2.81Å; D207-R230 PolarHBondContact OD1-NE 3.03Å; D207-R230 IonicContact OD1-NH2 3.36Å; D207-R230 PolarHBondContact OD1-NH2 3.33Å; D207-R230 IonicContact OD2-CZ 3.42Å; D207-R230 VanDerWaalsContact OD2-CZ 3.24Å; D207-R230 IonicContact OD2-NE 3.2Å; D207-R230 PolarHBondContact OD2-NE 3.2Å; D207-R230 IonicContact OD2-NH2 2.7Å; D207-R230 PolarHBondContact OD2-NH2 2.94Å; S208-R230 WeakPolarHBondContact O-CA 3.34Å; R230-F248 WeakPolarHBondContact O-CD2 3.3Å; R230-L249 PolarHBondContact N-O 3.25Å; R230-L249 PolarHBondContact O-N 2.92Å
231L98.2Very high94.9Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-115.7117.4172.3-17474.1000109L192 S208 A211 L233 W246 I247 F248L192-L231 HydrophobicContact CD2-CB 4.4Å; L192-L231 HydrophobicContact CD2-CD2 3.51Å; S208-L231 PolarHBondContact N-O 3.4Å; S208-L231 PolarHBondContact O-N 2.79Å; A211-L231 HydrophobicContact CB-CB 3.44Å; A211-L231 VanDerWaalsContact CB-CB 3.44Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CD2-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CG 3.98Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.88Å; L231-L233 HydrophobicContact CG-CG 3.97Å; L231-W246 HydrophobicContact CD1-CD2 4.25Å; L231-W246 HydrophobicContact CD1-CZ2 3.86Å; L231-W246 HydrophobicContact CD2-CH2 4.38Å; L231-W246 HydrophobicContact CD2-CZ2 4.31Å; L231-I247 WeakPolarHBondContact CA-O 3.32Å; L231-F248 HydrophobicContact CB-CD2 4.09Å; L231-F248 HydrophobicContact CD1-CB 3.62Å; L231-F248 HydrophobicContact CD1-CD2 3.88Å; L231-F248 HydrophobicContact CD1-CG 4.03Å
232T97.7Very high95.4Very high29 Ų2938.9 Ų38.918%0.17820%0.2CC..EExtended strand (participates in β ladder)trans-110.7129.8172.6-45.20000108.3T205 L206 D207 I247T205-T232 HydrophobicContact CG2-CG2 3.88Å; L206-T232 CarbonylContact O-C 3.5Å; L206-T232 WeakPolarHBondContact O-CA 3.49Å; D207-T232 HydrophobicContact CB-CG2 4.26Å; D207-T232 PolarHBondContact OD1-OG1 3.14Å; T232-I247 PolarHBondContact N-O 3.31Å; T232-I247 PolarHBondContact O-N 3.23Å
233L97.9Very high95.7Very high0 Ų037.2 Ų37.20%019%0.189CC..EExtended strand (participates in β ladder)trans-129.5125.8-175.3-59176000109.8I120 T205 L206 L231 F235 I243 S245 W246I120-L233 HydrophobicContact CD1-CD1 3.64Å; I120-L233 HydrophobicContact CG1-CD1 3.79Å; T205-L233 CarbonylContact C-O 3.5Å; T205-L233 VanDerWaalsContact CA-O 3.27Å; T205-L233 WeakPolarHBondContact CA-O 3.49Å; L206-L233 HydrophobicContact CB-CB 4.41Å; L206-L233 PolarHBondContact N-O 3.29Å; L206-L233 PolarHBondContact O-N 3.43Å; L231-L233 HydrophobicContact CD1-CD2 4.05Å; L231-L233 HydrophobicContact CD2-CD1 3.9Å; L231-L233 HydrophobicContact CD2-CD2 3.97Å; L231-L233 HydrophobicContact CD2-CG 3.98Å; L231-L233 HydrophobicContact CG-CD1 4.44Å; L231-L233 HydrophobicContact CG-CD2 3.88Å; L231-L233 HydrophobicContact CG-CG 3.97Å; L233-F235 HydrophobicContact CB-CD2 4.21Å; L233-F235 HydrophobicContact CB-CE2 3.65Å; L233-F235 HydrophobicContact CB-CZ 4.34Å; L233-F235 HydrophobicContact CD1-CE2 3.88Å; L233-F235 HydrophobicContact CD1-CZ 3.91Å; L233-F235 HydrophobicContact CG-CE2 4.44Å; L233-I243 HydrophobicContact CD2-CG2 4.34Å; L233-S245 CarbonylContact C-O 3.6Å; L233-S245 VanDerWaalsContact CA-O 3.3Å; L233-S245 WeakPolarHBondContact CA-O 3.41Å; L233-W246 HydrophobicContact CD2-CB 4.15Å; L233-W246 HydrophobicContact CD2-CD2 3.74Å; L233-W246 HydrophobicContact CD2-CE3 3.58Å; L233-W246 HydrophobicContact CD2-CG 4.02Å; L233-W246 HydrophobicContact CD2-CZ3 4.17Å
234D97Very high95.8Very high41 Ų4142 Ų4222%0.21921%0.206CC..EExtended strand (participates in β ladder)trans-99.1121.3166.7-65.2-41.4000109.3I203 T205 R244 S245I203-D234 HydrophobicContact CG2-CB 3.76Å; T205-D234 WeakPolarHBondContact CB-OD1 3.4Å; T205-D234 WeakPolarHBondContact CG2-OD1 3.25Å; T205-D234 PolarHBondContact OG1-OD1 3.18Å; D234-R244 PolarHBondContact O-N 3.42Å; D234-S245 PolarHBondContact N-O 2.9Å; D234-S245 PolarHBondContact O-N 3.35Å; D234-S245 WeakPolarHBondContact OD2-CB 3.1Å
235F96.6Very high95.9Very high0 Ų040.7 Ų40.70%020%0.199CC..EExtended strand (participates in β ladder)trans-99.7142.3172.6-66.3-96000110.8P116 R119 I120 I203 L204 L206 L233 M241 R242 I243P116-F235 HydrophobicContact CB-CD2 3.79Å; P116-F235 HydrophobicContact CB-CE2 3.48Å; P116-F235 VanDerWaalsContact CB-CE2 3.48Å; P116-F235 HydrophobicContact CB-CG 4.49Å; P116-F235 HydrophobicContact CB-CZ 3.95Å; R119-F235 HydrophobicContact CB-CE1 3.86Å; R119-F235 HydrophobicContact CB-CZ 4.47Å; R119-F235 HydrophobicContact CG-CE1 4.34Å; I120-F235 HydrophobicContact CD1-CZ 4.38Å; I120-F235 HydrophobicContact CG1-CZ 4.21Å; I203-F235 WeakPolarHBondContact CA-O 3.32Å; L204-F235 HydrophobicContact CB-CB 4.45Å; L204-F235 PolarHBondContact N-O 3.27Å; L204-F235 PolarHBondContact O-N 2.86Å; L206-F235 HydrophobicContact CB-CE2 4.18Å; L233-F235 HydrophobicContact CB-CD2 4.21Å; L233-F235 HydrophobicContact CB-CE2 3.65Å; L233-F235 HydrophobicContact CB-CZ 4.34Å; L233-F235 HydrophobicContact CD1-CE2 3.88Å; L233-F235 HydrophobicContact CD1-CZ 3.91Å; L233-F235 HydrophobicContact CG-CE2 4.44Å; F235-M241 HydrophobicContact CB-SD 3.96Å; F235-M241 WeakPolarHBondContact CD1-O 3.27Å; F235-R242 CarbonylContact C-O 3.59Å; F235-R242 WeakPolarHBondContact CA-O 3.46Å; F235-I243 HydrophobicContact CD1-CG1 3.87Å; F235-I243 HydrophobicContact CE1-CD1 4.19Å; F235-I243 HydrophobicContact CE1-CG1 3.43Å; F235-I243 VanDerWaalsContact CE1-CG1 3.43Å; F235-I243 HydrophobicContact CZ-CD1 4.4Å; F235-I243 HydrophobicContact CZ-CG1 3.93Å
236A94.8Very high95.9Very high16 Ų1640.7 Ų40.713%0.13220%0.199CC..EExtended strand (participates in β ladder)trans-68.6127.3163.800000109.4E148 D238 M241 R242E148-A236 HydrophobicContact CG-CB 4.1Å; A236-D238 VanDerWaalsContact C-N 3.3Å; A236-D238 PolarHBondContact O-N 3.32Å; A236-M241 WeakPolarHBondContact O-CA 3.29Å; A236-R242 PolarHBondContact N-O 2.89Å
237F89.4Confident95.9Very high96 Ų9642.7 Ų42.742%0.42121%0.208SC..SBendtrans-83.474.7179.8-165-94.3000110.7F199 P202 L204 M241F199-F237 AromaticContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CD2 3.82Å; F199-F237 HydrophobicContact CD2-CE2 4.1Å; F199-F237 HydrophobicContact CD2-CG 4.29Å; F199-F237 HydrophobicContact CE2-CB 3.88Å; F199-F237 AromaticContact CE2-CD1 3.81Å; F199-F237 HydrophobicContact CE2-CD1 3.81Å; F199-F237 AromaticContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CD2 3.36Å; F199-F237 HydrophobicContact CE2-CE1 4.17Å; F199-F237 AromaticContact CE2-CE2 3.78Å; F199-F237 HydrophobicContact CE2-CE2 3.78Å; F199-F237 AromaticContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CG 3.4Å; F199-F237 HydrophobicContact CE2-CZ 4.16Å; F199-F237 AromaticContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD1 3.93Å; F199-F237 HydrophobicContact CZ-CD2 4.18Å; F199-F237 HydrophobicContact CZ-CE1 4.04Å; F199-F237 HydrophobicContact CZ-CE2 4.3Å; F199-F237 HydrophobicContact CZ-CG 4.02Å; F199-F237 HydrophobicContact CZ-CZ 4.23Å; P202-F237 WeakPolarHBondContact O-CB 3.46Å; P202-F237 PolarHBondContact O-N 3.18Å; L204-F237 HydrophobicContact CB-CD2 4.18Å; F237-M241 HydrophobicContact CD2-CE 3.42Å; F237-M241 VanDerWaalsContact CD2-CE 3.42Å; F237-M241 HydrophobicContact CE2-CE 3.72Å; F237-M241 HydrophobicContact CG-CE 4.27Å
238D89.6Confident95.9Very high69 Ų6942.7 Ų42.737%0.36921%0.209SC..SBendtrans-136-174.9176.371.76.8000111.6A236 L240 M241A236-D238 VanDerWaalsContact C-N 3.3Å; A236-D238 PolarHBondContact O-N 3.32Å; D238-L240 PolarHBondContact O-N 3.39Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.29Å; D238-L240 PolarHBondContact OD1-N 3Å; D238-M241 PolarHBondContact O-N 3.44Å; D238-M241 PolarHBondContact OD1-N 2.85Å
239D88.9Confident95.9Very high161 Ų16143.9 Ų43.986%0.86122%0.216SC*.THydrogen-bonded Turntrans-64.9-16.3179.7-63.9-40.9000113.8
240L92.4Very high96Very high98 Ų9844.2 Ų44.251%0.51322%0.217SC..THydrogen-bonded Turntrans-99.8-21.8-177.9-59.9179.5000112.9R119 D238 R242R119-L240 PolarHBondContact NE-O 3.29Å; R119-L240 PolarHBondContact NH2-O 2.92Å; D238-L240 PolarHBondContact O-N 3.39Å; D238-L240 WeakPolarHBondContact OD1-CA 3.4Å; D238-L240 WeakPolarHBondContact OD1-CB 3.29Å; D238-L240 PolarHBondContact OD1-N 3Å; L240-R242 HydrophobicContact CB-CG 3.84Å; L240-R242 PolarHBondContact O-N 3.25Å
241M93.6Very high95.9Very high11 Ų1146.1 Ų46.15%0.05422%0.224CC..  trans43.361.2-179.2-83.7-71.3-164.400112G114 R119 L204 F235 A236 F237 D238G114-M241 VanDerWaalsContact CA-CE 3.5Å; R119-M241 HydrophobicContact CG-CB 3.9Å; R119-M241 PolarHBondContact NE-O 3.06Å; R119-M241 PolarHBondContact NH2-O 2.92Å; L204-M241 HydrophobicContact CD2-CE 3.67Å; L204-M241 HydrophobicContact CD2-SD 4.39Å; F235-M241 HydrophobicContact CB-SD 3.96Å; F235-M241 WeakPolarHBondContact CD1-O 3.27Å; A236-M241 WeakPolarHBondContact O-CA 3.29Å; F237-M241 HydrophobicContact CD2-CE 3.42Å; F237-M241 VanDerWaalsContact CD2-CE 3.42Å; F237-M241 HydrophobicContact CE2-CE 3.72Å; F237-M241 HydrophobicContact CG-CE 4.27Å; D238-M241 PolarHBondContact O-N 3.44Å; D238-M241 PolarHBondContact OD1-N 2.85Å
242R96.6Very high95.8Very high30 Ų3049.1 Ų49.111%0.11324%0.243CC..  trans-93.6147.7-179.3-60.6-170.7-61.6172.52.6111.6T144 E148 D149 F235 A236 L240 R244T144-R242 VanDerWaalsContact O-CD 3.32Å; T144-R242 WeakPolarHBondContact O-CD 3.33Å; E148-R242 HydrophobicContact CG-CB 4.13Å; E148-R242 IonicContact OE1-CZ 3.42Å; E148-R242 IonicContact OE1-NE 2.85Å; E148-R242 PolarHBondContact OE1-NE 3.28Å; E148-R242 IonicContact OE1-NH2 2.78Å; E148-R242 PolarHBondContact OE1-NH2 3.26Å; E148-R242 IonicContact OE2-CZ 3.75Å; E148-R242 IonicContact OE2-NH2 3.23Å; E148-R242 PolarHBondContact OE2-NH2 3.11Å; D149-R242 IonicContact OD2-NH2 2.6Å; F235-R242 CarbonylContact C-O 3.59Å; F235-R242 WeakPolarHBondContact CA-O 3.46Å; A236-R242 PolarHBondContact N-O 2.89Å; L240-R242 HydrophobicContact CB-CG 3.84Å; L240-R242 PolarHBondContact O-N 3.25Å; R242-R244 PolarHBondContact O-N 3.37Å
243I98.1Very high95.8Very high3 Ų350 Ų502%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-76.2119.5-178.4-57.1170.3000109.2I120 F146 F147 E148 A151 L233 F235 S245 W246I120-I243 HydrophobicContact CD1-CD1 3.78Å; F146-I243 WeakPolarHBondContact O-CB 3.36Å; F146-I243 WeakPolarHBondContact O-CG1 3.48Å; F146-I243 PolarHBondContact O-N 2.92Å; F147-I243 VanDerWaalsContact CA-O 3.29Å; F147-I243 WeakPolarHBondContact CA-O 3.44Å; F147-I243 HydrophobicContact CD1-CB 3.82Å; F147-I243 HydrophobicContact CD1-CG2 3.98Å; F147-I243 HydrophobicContact CE1-CB 4.01Å; F147-I243 HydrophobicContact CE1-CD1 4.29Å; F147-I243 HydrophobicContact CE1-CG2 3.89Å; F147-I243 HydrophobicContact CG-CB 4.41Å; F147-I243 HydrophobicContact CZ-CD1 4.27Å; E148-I243 PolarHBondContact N-O 3.13Å; A151-I243 VanDerWaalsContact CB-O 3.31Å; A151-I243 WeakPolarHBondContact CB-O 3.39Å; L233-I243 HydrophobicContact CD2-CG2 4.34Å; F235-I243 HydrophobicContact CD1-CG1 3.87Å; F235-I243 HydrophobicContact CE1-CD1 4.19Å; F235-I243 HydrophobicContact CE1-CG1 3.43Å; F235-I243 VanDerWaalsContact CE1-CG1 3.43Å; F235-I243 HydrophobicContact CZ-CD1 4.4Å; F235-I243 HydrophobicContact CZ-CG1 3.93Å; I243-S245 VanDerWaalsContact CG2-O 3.3Å; I243-S245 WeakPolarHBondContact CG2-O 3.31Å; I243-W246 HydrophobicContact CD1-CE3 3.87Å; I243-W246 HydrophobicContact CD1-CZ3 4.01Å; I243-W246 HydrophobicContact CG2-CB 4.12Å; I243-W246 HydrophobicContact CG2-CE3 4.45Å
244R97.5Very high95.7Very high103 Ų10356.8 Ų56.839%0.38927%0.27SS..EExtended strand (participates in β ladder)trans-99.3-33.7177.1-170.5170.2-177.1-126.7-2.9112.5E148 D150 A151 T152 D234 R242E148-R244 HydrophobicContact CB-CB 4.25Å; E148-R244 HydrophobicContact CB-CG 4.32Å; E148-R244 HydrophobicContact CG-CB 4.14Å; E148-R244 HydrophobicContact CG-CG 4.44Å; D150-R244 WeakPolarHBondContact OD1-CG 3.29Å; D150-R244 IonicContact OD1-NE 2.72Å; D150-R244 PolarHBondContact OD1-NE 3.44Å; D150-R244 IonicContact OD2-CZ 3.24Å; D150-R244 VanDerWaalsContact OD2-CZ 3.26Å; D150-R244 IonicContact OD2-NE 2.65Å; D150-R244 PolarHBondContact OD2-NE 3.33Å; D150-R244 IonicContact OD2-NH2 2.82Å; D150-R244 PolarHBondContact OD2-NH2 3.49Å; A151-R244 VanDerWaalsContact CA-O 3.26Å; A151-R244 WeakPolarHBondContact CA-O 3.47Å; T152-R244 PolarHBondContact N-O 3.42Å; D234-R244 PolarHBondContact O-N 3.42Å; R242-R244 PolarHBondContact O-N 3.37Å
245S98.2Very high95.7Very high17 Ų1756.9 Ų56.912%0.11927%0.27CS..EExtended strand (participates in β ladder)trans-128.3130.7171.6-167.60000109.5L233 D234 I243L233-S245 CarbonylContact C-O 3.6Å; L233-S245 VanDerWaalsContact CA-O 3.3Å; L233-S245 WeakPolarHBondContact CA-O 3.41Å; D234-S245 PolarHBondContact N-O 2.9Å; D234-S245 PolarHBondContact O-N 3.35Å; D234-S245 WeakPolarHBondContact OD2-CB 3.1Å; I243-S245 VanDerWaalsContact CG2-O 3.3Å; I243-S245 WeakPolarHBondContact CG2-O 3.31Å
246W98.6Very high95.6Very high0 Ų061.5 Ų61.50%029%0.292CS..EExtended strand (participates in β ladder)trans-122.7114.7170.6176.2-62.9000108.2I120 M123 F147 T152 L153 T154 Y190 L231 L233 I243I120-W246 HydrophobicContact CD1-CZ3 4.07Å; M123-W246 HydrophobicContact CE-CH2 3.82Å; M123-W246 HydrophobicContact CE-CZ3 3.91Å; M123-W246 HydrophobicContact SD-CH2 4.27Å; M123-W246 HydrophobicContact SD-CZ3 3.81Å; F147-W246 HydrophobicContact CE1-CB 4.25Å; F147-W246 AromaticContact CE1-CE3 3.96Å; F147-W246 HydrophobicContact CE1-CE3 3.96Å; F147-W246 AromaticContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CE3 3.84Å; F147-W246 HydrophobicContact CZ-CZ3 4.31Å; T152-W246 PolarHBondContact O-N 2.83Å; L153-W246 CarbonylContact C-O 3.57Å; L153-W246 WeakPolarHBondContact CA-O 3.46Å; L153-W246 HydrophobicContact CB-CB 4.32Å; L153-W246 HydrophobicContact CD1-CB 4.47Å; L153-W246 HydrophobicContact CD1-CD2 4.42Å; L153-W246 HydrophobicContact CD1-CG 4.07Å; L153-W246 HydrophobicContact CG-CB 4.15Å; L153-W246 HydrophobicContact CG-CG 3.95Å; T154-W246 PolarHBondContact N-O 2.82Å; Y190-W246 HydrophobicContact CD1-CH2 4.06Å; Y190-W246 AromaticContact CD1-CZ2 3.89Å; Y190-W246 HydrophobicContact CD1-CZ2 3.89Å; Y190-W246 AromaticContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CH2 4Å; Y190-W246 HydrophobicContact CD2-CZ2 4.5Å; Y190-W246 HydrophobicContact CE1-CH2 4Å; Y190-W246 AromaticContact CE1-CZ2 3.54Å; Y190-W246 HydrophobicContact CE1-CZ2 3.54Å; Y190-W246 AromaticContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CH2 3.94Å; Y190-W246 HydrophobicContact CE2-CZ2 4.2Å; Y190-W246 HydrophobicContact CG-CH2 4.07Å; Y190-W246 HydrophobicContact CG-CZ2 4.37Å; Y190-W246 AromaticContact CZ-CH2 3.94Å; Y190-W246 AromaticContact CZ-CZ2 3.71Å; L231-W246 HydrophobicContact CD1-CD2 4.25Å; L231-W246 HydrophobicContact CD1-CZ2 3.86Å; L231-W246 HydrophobicContact CD2-CH2 4.38Å; L231-W246 HydrophobicContact CD2-CZ2 4.31Å; L233-W246 HydrophobicContact CD2-CB 4.15Å; L233-W246 HydrophobicContact CD2-CD2 3.74Å; L233-W246 HydrophobicContact CD2-CE3 3.58Å; L233-W246 HydrophobicContact CD2-CG 4.02Å; L233-W246 HydrophobicContact CD2-CZ3 4.17Å; I243-W246 HydrophobicContact CD1-CE3 3.87Å; I243-W246 HydrophobicContact CD1-CZ3 4.01Å; I243-W246 HydrophobicContact CG2-CB 4.12Å; I243-W246 HydrophobicContact CG2-CE3 4.45Å
247I98.4Very high95.5Very high66 Ų6663.5 Ų63.534%0.33830%0.3SS..EExtended strand (participates in β ladder)trans-124.3106.6178.5-52.8178.4000109T154 L231 T232T154-I247 HydrophobicContact CG2-CG2 4.41Å; L231-I247 WeakPolarHBondContact CA-O 3.32Å; T232-I247 PolarHBondContact N-O 3.31Å; T232-I247 PolarHBondContact O-N 3.23Å
248F98.4Very high95.5Very high1 Ų163.7 Ų63.70%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-107.6110.4174.8-170.2-140.8000110.6T154 L155 A156 A211 M213 V227 R230 L231 I250T154-F248 PolarHBondContact O-N 2.74Å; L155-F248 HydrophobicContact CD1-CB 3.97Å; L155-F248 HydrophobicContact CD1-CD1 3.61Å; L155-F248 HydrophobicContact CD1-CG 4.21Å; A156-F248 PolarHBondContact N-O 2.87Å; A211-F248 HydrophobicContact CB-CE2 4.29Å; M213-F248 HydrophobicContact CB-CE1 3.82Å; M213-F248 HydrophobicContact CB-CZ 3.89Å; M213-F248 HydrophobicContact CE-CE1 4.35Å; M213-F248 HydrophobicContact SD-CE1 4.23Å; V227-F248 HydrophobicContact CG1-CE1 4.05Å; V227-F248 HydrophobicContact CG1-CZ 4.12Å; R230-F248 WeakPolarHBondContact O-CD2 3.3Å; L231-F248 HydrophobicContact CB-CD2 4.09Å; L231-F248 HydrophobicContact CD1-CB 3.62Å; L231-F248 HydrophobicContact CD1-CD2 3.88Å; L231-F248 HydrophobicContact CD1-CG 4.03Å; F248-I250 HydrophobicContact CD1-CG1 3.95Å; F248-I250 HydrophobicContact CE1-CD1 4.28Å; F248-I250 HydrophobicContact CE1-CG1 3.73Å; F248-I250 HydrophobicContact CZ-CG1 4.23Å
249L97.7Very high95.6Very high77 Ų7771.2 Ų71.240%0.40333%0.327SS..EExtended strand (participates in β ladder)trans-98.2100.4174.8176.362.6000109.2A156 G229 R230 R251A156-L249 HydrophobicContact CB-CD1 3.75Å; A156-L249 WeakPolarHBondContact O-CA 3.48Å; G229-L249 CarbonylContact C-O 3.53Å; G229-L249 WeakPolarHBondContact CA-O 3.41Å; R230-L249 PolarHBondContact N-O 3.25Å; R230-L249 PolarHBondContact O-N 2.92Å; L249-R251 PolarHBondContact O-N 3.22Å
250I97.9Very high95.6Very high11 Ų1167.8 Ų67.86%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-69.2125.5176.8-60.5175.1000109L155 A156 F157 V227 F248 Y280 M282L155-I250 HydrophobicContact CD1-CD1 3.95Å; L155-I250 HydrophobicContact CD1-CG1 4.22Å; L155-I250 HydrophobicContact CG-CD1 4.45Å; A156-I250 PolarHBondContact O-N 3.21Å; F157-I250 HydrophobicContact CB-CB 4.13Å; V227-I250 HydrophobicContact CG1-CB 4.16Å; V227-I250 HydrophobicContact CG1-CD1 3.69Å; V227-I250 HydrophobicContact CG1-CG1 3.65Å; V227-I250 HydrophobicContact CG1-CG2 3.53Å; F248-I250 HydrophobicContact CD1-CG1 3.95Å; F248-I250 HydrophobicContact CE1-CD1 4.28Å; F248-I250 HydrophobicContact CE1-CG1 3.73Å; F248-I250 HydrophobicContact CZ-CG1 4.23Å; I250-Y280 WeakPolarHBondContact CD1-O 3.36Å; I250-M282 HydrophobicContact CD1-CG 4Å; I250-M282 HydrophobicContact CD1-SD 3.96Å
251R96.2Very high95.4Very high139 Ų13964.8 Ų64.853%0.52530%0.299SS..EExtended strand (participates in β ladder)trans-97.7-42.8175.5-70.4169.9161.4-179.7-15.6111.2E209 E228 L249E209-R251 PolarHBondContact O-NH1 2.91Å; E209-R251 IonicContact OE1-CZ 3.97Å; E209-R251 IonicContact OE1-NH1 3.02Å; E209-R251 PolarHBondContact OE1-NH1 3.42Å; E209-R251 IonicContact OE1-NH2 3.94Å; E209-R251 PolarHBondContact OE1-NH2 3.11Å; E228-R251 PolarHBondContact O-N 2.88Å; L249-R251 PolarHBondContact O-N 3.22Å
252T96.3Very high95Very high63 Ų6369.2 Ų69.239%0.38732%0.323SS..EExtended strand (participates in β ladder)trans-157.3171.4177.5-170.30000111.7E228E228-T252 HydrophobicContact CB-CG2 3.8Å; E228-T252 HydrophobicContact CG-CG2 4.34Å; E228-T252 PolarHBondContact N-O 3.24Å; E228-T252 PolarHBondContact O-N 3.02Å; E228-T252 WeakPolarHBondContact OE2-CG2 3.36Å
253H96.9Very high94.5Very high48 Ų4870.4 Ų70.422%0.22235%0.345CS..EExtended strand (participates in β ladder)trans-144.7154.7174.464.4-60.8000111.2V226 V227 T278 G281V226-H253 CarbonylContact O-C 3.57Å; V226-H253 VanDerWaalsContact O-CA 3.26Å; V226-H253 WeakPolarHBondContact O-CA 3.49Å; V227-H253 HydrophobicContact CG2-CB 4.19Å; H253-T278 PolarHBondContact CD2-OG1 2.87Å; H253-T278 VanDerWaalsContact CD2-OG1 3.3Å; H253-G281 PolarHBondContact CD2-N 3.29Å; H253-G281 VanDerWaalsContact CG-CA 3.5Å; H253-G281 PolarHBondContact NE2-N 2.81Å
254R96.9Very high93.8Very high142 Ų14274.1 Ų74.154%0.53636%0.364SS..EExtended strand (participates in β ladder)trans-134.6140176.7-48.9-176.7-156.2-120.5-3.7108.9V225 V226 E228V225-R254 WeakPolarHBondContact CA-O 3.41Å; V226-R254 PolarHBondContact N-O 2.86Å; V226-R254 PolarHBondContact O-N 2.96Å; E228-R254 IonicContact OE1-CZ 2.98Å; E228-R254 IonicContact OE1-NE 2.75Å; E228-R254 PolarHBondContact OE1-NE 3.28Å; E228-R254 IonicContact OE1-NH2 2.72Å; E228-R254 PolarHBondContact OE1-NH2 2.93Å; E228-R254 IonicContact OE2-CZ 2.86Å; E228-R254 IonicContact OE2-NE 3.2Å; E228-R254 IonicContact OE2-NH2 2.71Å; E228-R254 PolarHBondContact OE2-NH2 3.41Å
255E96.3Very high93.2Very high44 Ų4478.1 Ų78.121%0.20639%0.387CS..EExtended strand (participates in β ladder)trans-113.4123174.9-63-169.8-169.600108.6V223 V225 N276 I277 T278V223-E255 HydrophobicContact CG1-CB 3.89Å; V225-E255 HydrophobicContact CG1-CG 4.29Å; V225-E255 HydrophobicContact CG2-CG 4.26Å; E255-N276 VanDerWaalsContact OE2-CA 3.23Å; E255-N276 WeakPolarHBondContact OE2-CA 3.36Å; E255-I277 PolarHBondContact OE1-N 2.64Å; E255-I277 WeakPolarHBondContact OE2-CG1 3.26Å; E255-I277 PolarHBondContact OE2-N 3.16Å; E255-T278 WeakPolarHBondContact OE1-CA 3.12Å; E255-T278 VanDerWaalsContact OE1-CB 3.25Å; E255-T278 WeakPolarHBondContact OE1-CB 3.38Å; E255-T278 WeakPolarHBondContact OE1-CG2 3.33Å; E255-T278 PolarHBondContact OE1-N 2.73Å; E255-T278 PolarHBondContact OE1-OG1 3.3Å
256M94.8Very high92.8Very high97 Ų9780.7 Ų80.748%0.47840%0.399SS..EExtended strand (participates in β ladder)trans-114.7117-173.9-58.1-172.9-59.700110.2V223 T224 V226V223-M256 WeakPolarHBondContact CA-O 3.32Å; T224-M256 HydrophobicContact CG2-CE 3.8Å; T224-M256 PolarHBondContact N-O 3.11Å; T224-M256 PolarHBondContact O-N 2.62Å; V226-M256 HydrophobicContact CG2-CE 3.68Å
257I92.9Very high92.4Very high57 Ų5785.6 Ų85.629%0.29243%0.431SS..EExtended strand (participates in β ladder)trans-97.7140.9-179.1-52.2-179.3000109.4V223 R259 M261 L273V223-I257 HydrophobicContact CG2-CG1 4.24Å; I257-R259 PolarHBondContact O-N 2.96Å; I257-M261 HydrophobicContact CG2-CB 4.17Å; I257-M261 HydrophobicContact CG2-CG 4.43Å; I257-L273 HydrophobicContact CD1-CB 4.01Å; I257-L273 HydrophobicContact CD1-CD2 4.38Å; I257-L273 WeakPolarHBondContact CD1-O 3.22Å; I257-L273 HydrophobicContact CG2-CD2 4.32Å
258M89.3Confident92.1Very high101 Ų10185.5 Ų85.550%0.49844%0.44SS..  trans-63130.1176.1-65.3-157.1-63.800111.7P222 S260 M261P222-M258 HydrophobicContact CB-CE 3.89Å; P222-M258 HydrophobicContact CG-CE 3.64Å; M258-S260 PolarHBondContact O-N 2.67Å; M258-S260 VanDerWaalsContact O-N 3.1Å; M258-M261 VanDerWaalsContact O-CB 3.26Å; M258-M261 WeakPolarHBondContact O-CB 3.46Å; M258-M261 PolarHBondContact O-N 2.75Å
259R91.6Very high91.7Very high226 Ų22687.3 Ų87.385%0.85345%0.448SS*.G310 helixtrans-57-29.7-178.5-64.2-178.4-173.8144.52.4114I257 M261 L262I257-R259 PolarHBondContact O-N 2.96Å; R259-M261 PolarHBondContact O-N 3.33Å; R259-L262 WeakPolarHBondContact O-CB 3.43Å; R259-L262 PolarHBondContact O-N 3.16Å
260S89.7Confident91.3Very high90 Ų9087 Ų8763%0.62945%0.447SS*.G310 helixtrans-59.9-32.1175.3450000113M258 L262 G263M258-S260 PolarHBondContact O-N 2.67Å; M258-S260 VanDerWaalsContact O-N 3.1Å; S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.36Å; S260-G263 PolarHBondContact O-N 3.14Å
261M87.2Confident90.9Very high34 Ų3490.5 Ų90.517%0.16747%0.465CS..G310 helixtrans-70.9-24.4-179.4-166.4144.1-84.900112.7I221 P222 I257 M258 R259 G263 I264 F269 L273I221-M261 HydrophobicContact CG2-SD 3.86Å; P222-M261 HydrophobicContact CG-CE 3.74Å; P222-M261 HydrophobicContact CG-SD 3.93Å; I257-M261 HydrophobicContact CG2-CB 4.17Å; I257-M261 HydrophobicContact CG2-CG 4.43Å; M258-M261 VanDerWaalsContact O-CB 3.26Å; M258-M261 WeakPolarHBondContact O-CB 3.46Å; M258-M261 PolarHBondContact O-N 2.75Å; R259-M261 PolarHBondContact O-N 3.33Å; M261-G263 PolarHBondContact O-N 2.93Å; M261-I264 PolarHBondContact O-N 3.23Å; M261-F269 HydrophobicContact CE-CZ 4.17Å; M261-F269 HydrophobicContact CG-CE1 3.55Å; M261-F269 HydrophobicContact CG-CZ 3.59Å; M261-F269 HydrophobicContact SD-CE1 4.35Å; M261-F269 HydrophobicContact SD-CZ 3.76Å; M261-L273 HydrophobicContact CG-CD1 3.89Å; M261-L273 HydrophobicContact CG-CD2 3.97Å; M261-L273 HydrophobicContact SD-CD2 4.01Å
262L86.7Confident90.6Very high104 Ų10488.9 Ų88.955%0.54546%0.464SS..G310 helixtrans-75.4-7.5175.2-55.2176.8000113.2R259 S260 I264 L273R259-L262 WeakPolarHBondContact O-CB 3.43Å; R259-L262 PolarHBondContact O-N 3.16Å; S260-L262 VanDerWaalsContact C-N 3.28Å; S260-L262 PolarHBondContact O-N 3.36Å; L262-I264 VanDerWaalsContact C-N 3.27Å; L262-L273 HydrophobicContact CD2-CD1 3.97Å
263G85.8Confident90.2Very high56 Ų5686.6 Ų86.658%0.57745%0.449SS*.G310 helixtrans-76.8-10.9173.400000114.1S260 M261 Q265S260-G263 PolarHBondContact O-N 3.14Å; M261-G263 PolarHBondContact O-N 2.93Å; G263-Q265 PolarHBondContact O-N 2.98Å
264I83.7Confident89.8Confident80 Ų8088.2 Ų88.241%0.4147%0.466SS..  trans-81.6104.5-179.6-61.4172.6000108.6M261 L262 D266 F269M261-I264 PolarHBondContact O-N 3.23Å; L262-I264 VanDerWaalsContact C-N 3.27Å; I264-D266 HydrophobicContact CG2-CB 4.23Å; I264-D266 PolarHBondContact O-N 2.95Å; I264-F269 HydrophobicContact CB-CD1 3.96Å; I264-F269 HydrophobicContact CB-CE1 4.1Å; I264-F269 HydrophobicContact CD1-CD1 4.28Å; I264-F269 HydrophobicContact CD1-CE1 3.69Å; I264-F269 HydrophobicContact CD1-CZ 4.23Å; I264-F269 HydrophobicContact CG1-CE1 4.44Å; I264-F269 HydrophobicContact CG2-CD1 3.77Å; I264-F269 HydrophobicContact CG2-CE1 4.27Å; I264-F269 HydrophobicContact CG2-CG 4.46Å
265Q85Confident89.7Confident187 Ų18786.7 Ų86.787%0.87446%0.463SS*.  trans-80.745.9-178.4-62.2-174.34500113.1G263G263-Q265 PolarHBondContact O-N 2.98Å
266D89.3Confident89.5Confident72 Ų7289.6 Ų89.639%0.38548%0.48SS..  trans-102.7112.6167.4171.320.9000109.7I264 A268 F269 L270I264-D266 HydrophobicContact CG2-CB 4.23Å; I264-D266 PolarHBondContact O-N 2.95Å; D266-A268 PolarHBondContact O-N 2.76Å; D266-A268 WeakPolarHBondContact OD1-CB 3.34Å; D266-A268 PolarHBondContact OD1-N 2.85Å; D266-F269 HydrophobicContact CB-CB 3.93Å; D266-F269 PolarHBondContact O-N 2.84Å; D266-F269 WeakPolarHBondContact OD2-CB 3.24Å; D266-F269 PolarHBondContact OD2-N 3.45Å; D266-L270 WeakPolarHBondContact O-CG 3.3Å; D266-L270 PolarHBondContact O-N 3.14Å
267P89.9Confident89.4Confident102 Ų10287.6 Ų87.666%0.66247%0.471SS*.Hα-helixtrans-56.7-32177.1-25.835.4000114.5D271P267-D271 WeakPolarHBondContact O-CB 3.44Å; P267-D271 PolarHBondContact O-N 3.32Å
268A91.1Very high89.5Confident65 Ų6585 Ų8554%0.53746%0.457SS..Hα-helixtrans-71.3-42179.600000111.3D266 D271 Q272D266-A268 PolarHBondContact O-N 2.76Å; D266-A268 WeakPolarHBondContact OD1-CB 3.34Å; D266-A268 PolarHBondContact OD1-N 2.85Å; A268-D271 PolarHBondContact O-N 3.02Å; A268-Q272 PolarHBondContact O-N 3.33Å; A268-Q272 VanDerWaalsContact O-N 3.11Å
269F90.4Very high89.7Confident38 Ų3886 Ų8617%0.16746%0.456CS..Hα-helixtrans-64.4-41.2171.9-176-111.3000112.6M261 I264 D266 D271 Q272 L273M261-F269 HydrophobicContact CE-CZ 4.17Å; M261-F269 HydrophobicContact CG-CE1 3.55Å; M261-F269 HydrophobicContact CG-CZ 3.59Å; M261-F269 HydrophobicContact SD-CE1 4.35Å; M261-F269 HydrophobicContact SD-CZ 3.76Å; I264-F269 HydrophobicContact CB-CD1 3.96Å; I264-F269 HydrophobicContact CB-CE1 4.1Å; I264-F269 HydrophobicContact CD1-CD1 4.28Å; I264-F269 HydrophobicContact CD1-CE1 3.69Å; I264-F269 HydrophobicContact CD1-CZ 4.23Å; I264-F269 HydrophobicContact CG1-CE1 4.44Å; I264-F269 HydrophobicContact CG2-CD1 3.77Å; I264-F269 HydrophobicContact CG2-CE1 4.27Å; I264-F269 HydrophobicContact CG2-CG 4.46Å; D266-F269 HydrophobicContact CB-CB 3.93Å; D266-F269 PolarHBondContact O-N 2.84Å; D266-F269 WeakPolarHBondContact OD2-CB 3.24Å; D266-F269 PolarHBondContact OD2-N 3.45Å; F269-D271 PolarHBondContact O-N 3.01Å; F269-Q272 CarbonylContact O-C 3.56Å; F269-Q272 WeakPolarHBondContact O-CA 3.45Å; F269-Q272 VanDerWaalsContact O-CB 3.32Å; F269-Q272 WeakPolarHBondContact O-CB 3.48Å; F269-Q272 PolarHBondContact O-N 3.48Å; F269-Q272 VanDerWaalsContact O-N 3.07Å; F269-L273 HydrophobicContact CD1-CD1 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.76Å; F269-L273 HydrophobicContact CE1-CD2 4.07Å; F269-L273 HydrophobicContact CE1-CG 3.99Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.37Å; F269-L273 HydrophobicContact CZ-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CG 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 2.86Å
270L88.9Confident89.9Confident71 Ų7178.2 Ų78.237%0.37243%0.427SS..Hα-helixtrans-64.1-38.4176.8-67.6176.4000112.6D266 Q272 L273 S274D266-L270 WeakPolarHBondContact O-CG 3.3Å; D266-L270 PolarHBondContact O-N 3.14Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.25Å; L270-L273 HydrophobicContact CD2-CD1 4.09Å; L270-L273 PolarHBondContact O-N 2.76Å; L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 VanDerWaalsContact O-N 3.08Å
271D90.6Very high90.1Very high84 Ų8474 Ų7445%0.44940%0.397SS..Hα-helixtrans-62.4-36170.4169.257.4000111.8P267 A268 F269 S274 K275P267-D271 WeakPolarHBondContact O-CB 3.44Å; P267-D271 PolarHBondContact O-N 3.32Å; A268-D271 PolarHBondContact O-N 3.02Å; F269-D271 PolarHBondContact O-N 3.01Å; D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 2.72Å; D271-K275 WeakPolarHBondContact O-CD 3.29Å; D271-K275 VanDerWaalsContact O-CE 3.23Å; D271-K275 WeakPolarHBondContact O-CE 3.39Å; D271-K275 WeakPolarHBondContact OD1-CE 3.49Å; D271-K275 IonicContact OD1-NZ 3.02Å; D271-K275 PolarHBondContact OD1-NZ 2.8Å; D271-K275 IonicContact OD2-NZ 2.73Å; D271-K275 PolarHBondContact OD2-NZ 2.89Å
272Q89.4Confident90.6Very high105 Ų10572.3 Ų72.349%0.49139%0.389SS..Hα-helixtrans-66.2-42.9172.2-164.7-178.813.200112.6I221 A268 F269 L270 S274 K275I221-Q272 HydrophobicContact CD1-CG 3.98Å; A268-Q272 PolarHBondContact O-N 3.33Å; A268-Q272 VanDerWaalsContact O-N 3.11Å; F269-Q272 CarbonylContact O-C 3.56Å; F269-Q272 WeakPolarHBondContact O-CA 3.45Å; F269-Q272 VanDerWaalsContact O-CB 3.32Å; F269-Q272 WeakPolarHBondContact O-CB 3.48Å; F269-Q272 PolarHBondContact O-N 3.48Å; F269-Q272 VanDerWaalsContact O-N 3.07Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.25Å; Q272-S274 PolarHBondContact O-N 2.71Å; Q272-K275 PolarHBondContact O-N 2.75Å
273L89Confident91Very high15 Ų1567.8 Ų67.88%0.07937%0.366CS..Hα-helixtrans-63.2-26.2175.6-64.7-175.4000113I221 I257 M261 L262 F269 L270 K275I221-L273 HydrophobicContact CD1-CD2 4.21Å; I221-L273 HydrophobicContact CG2-CD2 3.6Å; I257-L273 HydrophobicContact CD1-CB 4.01Å; I257-L273 HydrophobicContact CD1-CD2 4.38Å; I257-L273 WeakPolarHBondContact CD1-O 3.22Å; I257-L273 HydrophobicContact CG2-CD2 4.32Å; M261-L273 HydrophobicContact CG-CD1 3.89Å; M261-L273 HydrophobicContact CG-CD2 3.97Å; M261-L273 HydrophobicContact SD-CD2 4.01Å; L262-L273 HydrophobicContact CD2-CD1 3.97Å; F269-L273 HydrophobicContact CD1-CD1 4.15Å; F269-L273 HydrophobicContact CD1-CG 4.27Å; F269-L273 HydrophobicContact CE1-CD1 3.76Å; F269-L273 HydrophobicContact CE1-CD2 4.07Å; F269-L273 HydrophobicContact CE1-CG 3.99Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.37Å; F269-L273 HydrophobicContact CZ-CD2 3.83Å; F269-L273 HydrophobicContact CZ-CG 4.22Å; F269-L273 WeakPolarHBondContact O-CG 3.49Å; F269-L273 PolarHBondContact O-N 2.86Å; L270-L273 HydrophobicContact CD2-CD1 4.09Å; L270-L273 PolarHBondContact O-N 2.76Å; L273-K275 PolarHBondContact O-N 3Å
274S88.6Confident91.4Very high82 Ų8268.1 Ų68.157%0.57335%0.354SS*.THydrogen-bonded Turntrans-72.4-8.4-178.178.10000114.7L270 D271 Q272L270-S274 PolarHBondContact O-N 2.97Å; L270-S274 VanDerWaalsContact O-N 3.08Å; D271-S274 PolarHBondContact O-N 3.49Å; D271-S274 PolarHBondContact O-OG 2.72Å; Q272-S274 PolarHBondContact O-N 2.71Å
275K93.1Very high92Very high111 Ų11167.1 Ų67.148%0.48335%0.352SS..SBendtrans-108.5124.4-170.5-67.9159.4-168.5167.80110.7D271 Q272 L273 I277D271-K275 WeakPolarHBondContact O-CD 3.29Å; D271-K275 VanDerWaalsContact O-CE 3.23Å; D271-K275 WeakPolarHBondContact O-CE 3.39Å; D271-K275 WeakPolarHBondContact OD1-CE 3.49Å; D271-K275 IonicContact OD1-NZ 3.02Å; D271-K275 PolarHBondContact OD1-NZ 2.8Å; D271-K275 IonicContact OD2-NZ 2.73Å; D271-K275 PolarHBondContact OD2-NZ 2.89Å; Q272-K275 PolarHBondContact O-N 2.75Å; L273-K275 PolarHBondContact O-N 3Å; K275-I277 PolarHBondContact O-N 3.42Å
276N92.9Very high92.5Very high105 Ų10558.2 Ų58.256%0.56131%0.31SS*.  trans-55.4131.8175.8-69.425.7000111.3E255E255-N276 VanDerWaalsContact OE2-CA 3.23Å; E255-N276 WeakPolarHBondContact OE2-CA 3.36Å
277I92.5Very high92.8Very high54 Ų5454.8 Ų54.828%0.27729%0.292SS..SBendtrans-82.2-19.5174.654.8160000112.2M217 V223 V225 E255 K275M217-I277 HydrophobicContact CB-CD1 4.12Å; M217-I277 HydrophobicContact CG-CD1 3.66Å; V223-I277 HydrophobicContact CB-CD1 3.88Å; V223-I277 HydrophobicContact CG1-CD1 4.14Å; V223-I277 HydrophobicContact CG1-CG1 4.49Å; V223-I277 HydrophobicContact CG2-CD1 4.16Å; V225-I277 HydrophobicContact CG2-CD1 4.2Å; E255-I277 PolarHBondContact OE1-N 2.64Å; E255-I277 WeakPolarHBondContact OE2-CG1 3.26Å; E255-I277 PolarHBondContact OE2-N 3.16Å; K275-I277 PolarHBondContact O-N 3.42Å
278T95Very high93.1Very high3 Ų353.8 Ų53.82%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-106167.2175.375.50000112.8V225 H253 E255 M282 T283V225-T278 HydrophobicContact CB-CG2 4.46Å; V225-T278 HydrophobicContact CG1-CG2 3.91Å; V225-T278 HydrophobicContact CG2-CG2 3.81Å; H253-T278 PolarHBondContact CD2-OG1 2.87Å; H253-T278 VanDerWaalsContact CD2-OG1 3.3Å; E255-T278 WeakPolarHBondContact OE1-CA 3.12Å; E255-T278 VanDerWaalsContact OE1-CB 3.25Å; E255-T278 WeakPolarHBondContact OE1-CB 3.38Å; E255-T278 WeakPolarHBondContact OE1-CG2 3.33Å; E255-T278 PolarHBondContact OE1-N 2.73Å; E255-T278 PolarHBondContact OE1-OG1 3.3Å; T278-M282 WeakPolarHBondContact CA-O 3.4Å; T278-M282 WeakPolarHBondContact CB-O 3.44Å; T278-T283 HydrophobicContact CG2-CG2 4.07Å
279R94Very high93.4Very high121 Ų12152.1 Ų52.146%0.45726%0.261SS..EExtended strand (participates in β ladder)trans-128.4127.8163.9-69.1-173.1-75.8178.1-6.3108G281 M282 N284 L287R279-G281 PolarHBondContact O-N 2.88Å; R279-M282 PolarHBondContact N-O 3.12Å; R279-M282 PolarHBondContact O-N 3.31Å; R279-N284 VanDerWaalsContact CZ-OD1 3.28Å; R279-N284 PolarHBondContact NE-OD1 2.81Å; R279-N284 PolarHBondContact NH2-OD1 2.98Å; R279-L287 HydrophobicContact CB-CD1 3.86Å
280Y94.4Very high93.6Very high64 Ų6450.3 Ų50.325%0.25125%0.254SS..THydrogen-bonded Turntrans5635.1-174.5-41.7-72.6000112.5F157 L158 T159 I250 M282F157-Y280 HydrophobicContact CD2-CD1 4.08Å; F157-Y280 AromaticContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CD2 3.72Å; F157-Y280 HydrophobicContact CD2-CE2 4.43Å; F157-Y280 AromaticContact CD2-CG 3.51Å; F157-Y280 HydrophobicContact CD2-CG 3.51Å; F157-Y280 AromaticContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CD2 3.44Å; F157-Y280 VanDerWaalsContact CE2-CD2 3.44Å; F157-Y280 HydrophobicContact CE2-CE2 4.04Å; F157-Y280 AromaticContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CE2-CG 3.77Å; F157-Y280 HydrophobicContact CG-CG 4.3Å; F157-Y280 HydrophobicContact CZ-CD2 4.3Å; L158-Y280 VanDerWaalsContact O-CD1 3.3Å; L158-Y280 WeakPolarHBondContact O-CD1 3.18Å; L158-Y280 WeakPolarHBondContact O-CE1 3.26Å; T159-Y280 WeakPolarHBondContact CB-OH 3.49Å; T159-Y280 HydrophobicContact CG2-CD1 4.19Å; T159-Y280 HydrophobicContact CG2-CD2 4.18Å; T159-Y280 HydrophobicContact CG2-CE1 3.71Å; T159-Y280 HydrophobicContact CG2-CE2 3.68Å; T159-Y280 HydrophobicContact CG2-CG 4.41Å; T159-Y280 VanDerWaalsContact CG2-CZ 3.42Å; I250-Y280 WeakPolarHBondContact CD1-O 3.36Å; Y280-M282 PolarHBondContact O-N 3.38Å
281G95.4Very high93.8Very high0 Ų051.3 Ų51.30%025%0.253CS..THydrogen-bonded Turntrans76.4-7.6-175.700000115.5M215 V227 H253 R279M215-G281 WeakPolarHBondContact CE-O 3.49Å; V227-G281 WeakPolarHBondContact CG2-O 3.36Å; H253-G281 PolarHBondContact CD2-N 3.29Å; H253-G281 VanDerWaalsContact CG-CA 3.5Å; H253-G281 PolarHBondContact NE2-N 2.81Å; R279-G281 PolarHBondContact O-N 2.88Å
282M96.2Very high94Very high0 Ų052.2 Ų52.20%026%0.257CS..EExtended strand (participates in β ladder)trans-106.5142.4-177.1-58.8-52.6-60.100112.4L155 Y176 I180 M213 I250 T278 R279 Y280 T286 L287L155-M282 HydrophobicContact CD2-CE 4.08Å; L155-M282 HydrophobicContact CD2-CG 3.76Å; L155-M282 HydrophobicContact CD2-SD 3.91Å; Y176-M282 HydrophobicContact CE2-CE 4.18Å; I180-M282 HydrophobicContact CD1-CE 4.44Å; M213-M282 HydrophobicContact CE-CE 4.27Å; M213-M282 HydrophobicContact CE-SD 3.61Å; I250-M282 HydrophobicContact CD1-CG 4Å; I250-M282 HydrophobicContact CD1-SD 3.96Å; T278-M282 WeakPolarHBondContact CA-O 3.4Å; T278-M282 WeakPolarHBondContact CB-O 3.44Å; R279-M282 PolarHBondContact N-O 3.12Å; R279-M282 PolarHBondContact O-N 3.31Å; Y280-M282 PolarHBondContact O-N 3.38Å; M282-T286 HydrophobicContact CE-CG2 3.53Å; M282-L287 HydrophobicContact CB-CD1 4.33Å; M282-L287 HydrophobicContact CB-CD2 3.89Å; M282-L287 HydrophobicContact CB-CG 3.83Å; M282-L287 HydrophobicContact CG-CD2 4.46Å
283T95.2Very high94.2Very high9 Ų947.9 Ų47.96%0.05524%0.238CC..EExtended strand (participates in β ladder)trans-71.5154.6176.760.30000112S183 M217 T278 T285 T286 L287S183-T283 WeakPolarHBondContact CB-OG1 3.34Å; S183-T283 WeakPolarHBondContact OG-CB 3.43Å; S183-T283 VanDerWaalsContact OG-CG2 3.26Å; S183-T283 WeakPolarHBondContact OG-CG2 3.49Å; S183-T283 PolarHBondContact OG-OG1 2.87Å; M217-T283 HydrophobicContact CE-CG2 3.36Å; M217-T283 HydrophobicContact SD-CG2 4.3Å; T278-T283 HydrophobicContact CG2-CG2 4.07Å; T283-T285 PolarHBondContact O-N 3.19Å; T283-T286 PolarHBondContact O-N 2.73Å; T283-T286 VanDerWaalsContact O-N 3.14Å; T283-T286 PolarHBondContact OG1-OG1 3.49Å; T283-T286 VanDerWaalsContact OG1-OG1 3.11Å; T283-L287 PolarHBondContact O-N 3.09Å
284N94.8Very high94.3Very high63 Ų6351.3 Ų51.334%0.33726%0.256SS..Hα-helixtrans-60.9-32-177.3-72.2-67.6000113.2R279 N288R279-N284 VanDerWaalsContact CZ-OD1 3.28Å; R279-N284 PolarHBondContact NE-OD1 2.81Å; R279-N284 PolarHBondContact NH2-OD1 2.98Å; N284-N288 VanDerWaalsContact O-CB 3.3Å; N284-N288 WeakPolarHBondContact O-CB 3.26Å; N284-N288 PolarHBondContact O-N 2.83Å; N284-N288 PolarHBondContact O-ND2 3.36Å
285T96.1Very high94.3Very high58 Ų5852.1 Ų52.136%0.35625%0.252SS..Hα-helixtrans-59.6-52.6172.6-46.60000111.3E182 S183 T283 L287 N288 F289E182-T285 HydrophobicContact CB-CG2 4.44Å; S183-T285 WeakPolarHBondContact CB-OG1 3.39Å; T283-T285 PolarHBondContact O-N 3.19Å; T285-L287 PolarHBondContact O-N 3.43Å; T285-N288 PolarHBondContact O-N 3.26Å; T285-F289 PolarHBondContact O-N 2.99Å
286T96.6Very high94.2Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-64.8-41.1-178.6-48.50000111.9Y176 S179 I180 M282 T283 N288 F289 F290Y176-T286 HydrophobicContact CD2-CG2 3.92Å; Y176-T286 HydrophobicContact CE2-CG2 3.8Å; S179-T286 WeakPolarHBondContact OG-CG2 3.32Å; S179-T286 PolarHBondContact OG-OG1 3.05Å; I180-T286 HydrophobicContact CG1-CG2 4.19Å; M282-T286 HydrophobicContact CE-CG2 3.53Å; T283-T286 PolarHBondContact O-N 2.73Å; T283-T286 VanDerWaalsContact O-N 3.14Å; T283-T286 PolarHBondContact OG1-OG1 3.49Å; T283-T286 VanDerWaalsContact OG1-OG1 3.11Å; T286-N288 VanDerWaalsContact C-N 3.33Å; T286-N288 PolarHBondContact O-N 3.02Å; T286-F289 WeakPolarHBondContact O-CB 3.44Å; T286-F289 PolarHBondContact O-N 3.37Å; T286-F290 HydrophobicContact CG2-CD2 4.07Å; T286-F290 HydrophobicContact CG2-CE2 3.79Å; T286-F290 VanDerWaalsContact O-CD2 3.24Å; T286-F290 WeakPolarHBondContact O-CD2 3.33Å; T286-F290 PolarHBondContact O-N 2.83Å
287L95.5Very high93.8Very high1 Ų152.1 Ų52.11%0.00525%0.253CS..Hα-helixtrans-64.6-35.4174.4-69.8173.7000112.8F157 R279 M282 T283 T285 R291F157-L287 HydrophobicContact CE1-CD2 4.08Å; F157-L287 HydrophobicContact CZ-CD2 3.65Å; R279-L287 HydrophobicContact CB-CD1 3.86Å; M282-L287 HydrophobicContact CB-CD1 4.33Å; M282-L287 HydrophobicContact CB-CD2 3.89Å; M282-L287 HydrophobicContact CB-CG 3.83Å; M282-L287 HydrophobicContact CG-CD2 4.46Å; T283-L287 PolarHBondContact O-N 3.09Å; T285-L287 PolarHBondContact O-N 3.43Å; L287-R291 VanDerWaalsContact O-CG 3.28Å; L287-R291 WeakPolarHBondContact O-CG 3.28Å; L287-R291 PolarHBondContact O-N 2.89Å; L287-R291 VanDerWaalsContact O-N 3.12Å
288N96.1Very high93.6Very high80 Ų8053.2 Ų53.243%0.42826%0.263SS..Hα-helixtrans-72.6-38.1175.5-72.9-14.2000111.8N284 T285 T286 F290 R291 L292N284-N288 VanDerWaalsContact O-CB 3.3Å; N284-N288 WeakPolarHBondContact O-CB 3.26Å; N284-N288 PolarHBondContact O-N 2.83Å; N284-N288 PolarHBondContact O-ND2 3.36Å; T285-N288 PolarHBondContact O-N 3.26Å; T286-N288 VanDerWaalsContact C-N 3.33Å; T286-N288 PolarHBondContact O-N 3.02Å; N288-F290 PolarHBondContact O-N 3.46Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact OD1-NH1 2.94Å; N288-L292 WeakPolarHBondContact O-CG 3.48Å; N288-L292 PolarHBondContact O-N 2.97Å
289F96.5Very high93.3Very high30 Ų3056.5 Ų56.513%0.13228%0.279CS..Hα-helixtrans-55.7-48.1170163-96.9000111.6I168 L172 R175 T285 T286 R291 L292 C293I168-F289 HydrophobicContact CD1-CE1 4.03Å; I168-F289 HydrophobicContact CD1-CZ 4.21Å; L172-F289 HydrophobicContact CB-CZ 4.28Å; R175-F289 HydrophobicContact CB-CD2 4.3Å; R175-F289 HydrophobicContact CB-CE2 3.45Å; R175-F289 VanDerWaalsContact CB-CE2 3.45Å; R175-F289 HydrophobicContact CB-CZ 3.86Å; T285-F289 PolarHBondContact O-N 2.99Å; T286-F289 WeakPolarHBondContact O-CB 3.44Å; T286-F289 PolarHBondContact O-N 3.37Å; F289-R291 PolarHBondContact O-N 2.69Å; F289-L292 WeakPolarHBondContact O-CB 3.46Å; F289-L292 PolarHBondContact O-N 3.49Å; F289-C293 VanDerWaalsContact CZ-SG 3.55Å; F289-C293 PolarHBondContact O-N 2.97Å; F289-C293 PolarHBondContact O-SG 3.19Å
290F95.4Very high93.1Very high1 Ų157 Ų570%0.00429%0.287CS..Hα-helixtrans-62.9-40.3176.9-81.3-58.7000113.6L153 L155 Y166 I168 Y176 T286 N288 L292 C293 I294L153-F290 HydrophobicContact CD2-CZ 4.31Å; L155-F290 HydrophobicContact CB-CE1 4.49Å; L155-F290 HydrophobicContact CB-CE2 4.19Å; L155-F290 HydrophobicContact CB-CZ 3.82Å; L155-F290 HydrophobicContact CD2-CD2 4.25Å; L155-F290 HydrophobicContact CD2-CE2 3.42Å; L155-F290 VanDerWaalsContact CD2-CE2 3.42Å; L155-F290 HydrophobicContact CD2-CZ 3.9Å; L155-F290 HydrophobicContact CG-CE2 4.45Å; Y166-F290 HydrophobicContact CD1-CB 3.6Å; Y166-F290 HydrophobicContact CD1-CG 4.3Å; Y166-F290 HydrophobicContact CE1-CB 4.09Å; Y166-F290 HydrophobicContact CG-CB 3.87Å; Y166-F290 HydrophobicContact CG-CD1 4.24Å; Y166-F290 HydrophobicContact CG-CG 4.11Å; I168-F290 HydrophobicContact CD1-CE1 4.24Å; I168-F290 HydrophobicContact CG2-CD1 4.18Å; I168-F290 HydrophobicContact CG2-CE1 4.16Å; Y176-F290 HydrophobicContact CD2-CE1 4.23Å; Y176-F290 AromaticContact CD2-CE2 3.66Å; Y176-F290 HydrophobicContact CD2-CE2 3.66Å; Y176-F290 AromaticContact CD2-CZ 3.35Å; Y176-F290 HydrophobicContact CD2-CZ 3.35Å; Y176-F290 AromaticContact CE2-CE2 3.6Å; Y176-F290 HydrophobicContact CE2-CE2 3.6Å; Y176-F290 AromaticContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CE2-CZ 3.48Å; Y176-F290 VanDerWaalsContact CE2-CZ 3.48Å; Y176-F290 HydrophobicContact CG-CZ 4.32Å; T286-F290 HydrophobicContact CG2-CD2 4.07Å; T286-F290 HydrophobicContact CG2-CE2 3.79Å; T286-F290 VanDerWaalsContact O-CD2 3.24Å; T286-F290 WeakPolarHBondContact O-CD2 3.33Å; T286-F290 PolarHBondContact O-N 2.83Å; N288-F290 PolarHBondContact O-N 3.46Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 3.3Å; F290-C293 WeakPolarHBondContact O-CB 3.24Å; F290-C293 PolarHBondContact O-N 3.22Å; F290-I294 PolarHBondContact O-N 3.19Å
291R93.6Very high92.9Very high92 Ų9256.6 Ų56.635%0.34729%0.287SS..Hα-helixtrans-61.4-39.6173.2-70.7166.5-173.5126.69112.1L287 N288 F289 I295L287-R291 VanDerWaalsContact O-CG 3.28Å; L287-R291 WeakPolarHBondContact O-CG 3.28Å; L287-R291 PolarHBondContact O-N 2.89Å; L287-R291 VanDerWaalsContact O-N 3.12Å; N288-R291 PolarHBondContact O-N 2.87Å; N288-R291 PolarHBondContact OD1-NH1 2.94Å; F289-R291 PolarHBondContact O-N 2.69Å; R291-I295 PolarHBondContact O-N 3.24Å
292L94.5Very high92.8Very high102 Ų10258.1 Ų58.153%0.53430%0.295SS..Hα-helixtrans-65.6-37.4175.1-72169.2000111.8N288 F289 F290 I295 L296N288-L292 WeakPolarHBondContact O-CG 3.48Å; N288-L292 PolarHBondContact O-N 2.97Å; F289-L292 WeakPolarHBondContact O-CB 3.46Å; F289-L292 PolarHBondContact O-N 3.49Å; F290-L292 VanDerWaalsContact C-N 3.32Å; F290-L292 PolarHBondContact O-N 3.3Å; L292-I295 WeakPolarHBondContact O-CG2 3.49Å; L292-I295 PolarHBondContact O-N 3.18Å; L292-L296 HydrophobicContact CB-CD1 4.47Å; L292-L296 VanDerWaalsContact O-CB 3.24Å; L292-L296 WeakPolarHBondContact O-CB 3.42Å; L292-L296 WeakPolarHBondContact O-CD1 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.14Å; L292-L296 PolarHBondContact O-N 3.12Å
293C92.8Very high92.5Very high15 Ų1561.8 Ų61.810%0.10131%0.313CS..Hα-helixtrans-61-49.8176.5-63.60000111.9I168 L172 F289 F290 I295 L296 E297I168-C293 HydrophobicContact CG2-CB 3.97Å; L172-C293 HydrophobicContact CD1-CB 4.34Å; F289-C293 VanDerWaalsContact CZ-SG 3.55Å; F289-C293 PolarHBondContact O-N 2.97Å; F289-C293 PolarHBondContact O-SG 3.19Å; F290-C293 WeakPolarHBondContact O-CB 3.24Å; F290-C293 PolarHBondContact O-N 3.22Å; C293-I295 VanDerWaalsContact C-N 3.35Å; C293-I295 PolarHBondContact O-N 2.8Å; C293-L296 PolarHBondContact O-N 2.98Å; C293-E297 PolarHBondContact O-N 3.18Å
294I90.2Very high92.3Very high87 Ų8764.5 Ų64.545%0.44633%0.333SS..Hα-helixtrans-60.1-39.5-179.9-70.8-171.8000112.6Y166 F290 P298Y166-I294 HydrophobicContact CD1-CD1 3.36Å; Y166-I294 HydrophobicContact CD1-CG1 4.01Å; Y166-I294 HydrophobicContact CE1-CD1 3.53Å; Y166-I294 HydrophobicContact CE1-CG1 4.37Å; Y166-I294 HydrophobicContact CG-CD1 4.39Å; F290-I294 PolarHBondContact O-N 3.19Å; I294-P298 WeakPolarHBondContact O-CD 3.09Å
295I90.6Very high92.1Very high99 Ų9962.8 Ų62.851%0.50832%0.321SS..Hα-helixtrans-79-30179-165.9169.3000112.7R291 L292 C293 P298 M299R291-I295 PolarHBondContact O-N 3.24Å; L292-I295 WeakPolarHBondContact O-CG2 3.49Å; L292-I295 PolarHBondContact O-N 3.18Å; C293-I295 VanDerWaalsContact C-N 3.35Å; C293-I295 PolarHBondContact O-N 2.8Å; I295-P298 WeakPolarHBondContact O-CD 3.41Å; I295-P298 WeakPolarHBondContact O-CG 3.44Å; I295-M299 HydrophobicContact CG1-SD 4.24Å; I295-M299 VanDerWaalsContact O-CG 3.25Å; I295-M299 WeakPolarHBondContact O-CG 3.38Å
296L89.5Confident92Very high79 Ų7963.9 Ų63.941%0.41432%0.322SS..Hα-helixtrans-72.6-30-179.8-75.8170.7000113.2L292 C293 M299 Q300 M303L292-L296 HydrophobicContact CB-CD1 4.47Å; L292-L296 VanDerWaalsContact O-CB 3.24Å; L292-L296 WeakPolarHBondContact O-CB 3.42Å; L292-L296 WeakPolarHBondContact O-CD1 3.4Å; L292-L296 WeakPolarHBondContact O-CG 3.14Å; L292-L296 PolarHBondContact O-N 3.12Å; C293-L296 PolarHBondContact O-N 2.98Å; L296-M299 HydrophobicContact CD2-SD 4.33Å; L296-M299 CarbonylContact O-C 3.6Å; L296-M299 WeakPolarHBondContact O-CB 3.42Å; L296-M299 PolarHBondContact O-N 3.36Å; L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.22Å; L296-Q300 VanDerWaalsContact O-N 3.13Å; L296-M303 HydrophobicContact CD2-CE 3.83Å
297E85.7Confident91.8Very high137 Ų13772.8 Ų72.864%0.6436%0.361SS*.Hα-helixtrans-55.2-60.2176.5178.5177.5-167.600113.5C293 M299 Q300C293-E297 PolarHBondContact O-N 3.18Å; E297-M299 PolarHBondContact O-N 2.98Å; E297-Q300 WeakPolarHBondContact O-CB 3.44Å; E297-Q300 WeakPolarHBondContact O-CG 3.5Å; E297-Q300 PolarHBondContact O-N 3.34Å
298P87.8Confident91.7Very high77 Ų7776.1 Ų76.150%0.539%0.389SS..Hα-helixtrans-66.7-20.9176.228-35.6000112.8I294 I295 Q300I294-P298 WeakPolarHBondContact O-CD 3.09Å; I295-P298 WeakPolarHBondContact O-CD 3.41Å; I295-P298 WeakPolarHBondContact O-CG 3.44Å; P298-Q300 VanDerWaalsContact C-N 3.27Å; P298-Q300 PolarHBondContact O-N 3.13Å
299M89.3Confident91.4Very high72 Ų7279.8 Ų79.836%0.35540%0.398SS..Hα-helixtrans-70.8-18.7171.6-70.8178.468.800113.1I295 L296 E297 E301 L302 M303I295-M299 HydrophobicContact CG1-SD 4.24Å; I295-M299 VanDerWaalsContact O-CG 3.25Å; I295-M299 WeakPolarHBondContact O-CG 3.38Å; L296-M299 HydrophobicContact CD2-SD 4.33Å; L296-M299 CarbonylContact O-C 3.6Å; L296-M299 WeakPolarHBondContact O-CB 3.42Å; L296-M299 PolarHBondContact O-N 3.36Å; E297-M299 PolarHBondContact O-N 2.98Å; M299-E301 VanDerWaalsContact C-N 3.28Å; M299-E301 PolarHBondContact O-N 3.13Å; M299-L302 WeakPolarHBondContact O-CA 3.48Å; M299-L302 WeakPolarHBondContact O-CB 3.25Å; M299-L302 PolarHBondContact O-N 3.49Å; M299-M303 HydrophobicContact CB-CE 4.14Å; M299-M303 HydrophobicContact CE-CE 4.04Å; M299-M303 WeakPolarHBondContact O-CG 3.37Å; M299-M303 PolarHBondContact O-N 3.46Å
300Q88.7Confident91.2Very high131 Ų13184 Ų8461%0.61243%0.431SS*.Hα-helixtrans-60.3-37.3177.5-62.3-172.127.600112.2L296 E297 P298 L302 M303 S304L296-Q300 WeakPolarHBondContact O-CG 3.35Å; L296-Q300 PolarHBondContact O-N 3.22Å; L296-Q300 VanDerWaalsContact O-N 3.13Å; E297-Q300 WeakPolarHBondContact O-CB 3.44Å; E297-Q300 WeakPolarHBondContact O-CG 3.5Å; E297-Q300 PolarHBondContact O-N 3.34Å; P298-Q300 VanDerWaalsContact C-N 3.27Å; P298-Q300 PolarHBondContact O-N 3.13Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.32Å; Q300-M303 PolarHBondContact O-N 3.2Å; Q300-S304 WeakPolarHBondContact O-CB 3.33Å; Q300-S304 PolarHBondContact O-N 2.77Å; Q300-S304 PolarHBondContact O-OG 3.21Å
301E91.4Very high90.9Very high56 Ų5687.3 Ų87.326%0.26245%0.448SS..Hα-helixtrans-62.8-39.8173.1-171-173.5173.400111.5M299 S304 R305 T320 K324M299-E301 VanDerWaalsContact C-N 3.28Å; M299-E301 PolarHBondContact O-N 3.13Å; E301-S304 PolarHBondContact O-OG 3.45Å; E301-R305 VanDerWaalsContact O-CD 3.31Å; E301-R305 WeakPolarHBondContact O-CD 3.33Å; E301-R305 VanDerWaalsContact O-CG 3.22Å; E301-R305 WeakPolarHBondContact O-CG 3.45Å; E301-R305 PolarHBondContact O-N 3.17Å; E301-R305 VanDerWaalsContact O-N 3.14Å; E301-R305 IonicContact OE1-CZ 3.36Å; E301-R305 IonicContact OE1-NE 3.26Å; E301-R305 PolarHBondContact OE1-NE 3.33Å; E301-R305 IonicContact OE1-NH2 2.74Å; E301-R305 PolarHBondContact OE1-NH2 3.42Å; E301-T320 HydrophobicContact CG-CG2 4.41Å; E301-T320 WeakPolarHBondContact OE1-CG2 3.44Å; E301-K324 WeakPolarHBondContact OE2-CE 3.31Å; E301-K324 IonicContact OE2-NZ 2.65Å; E301-K324 PolarHBondContact OE2-NZ 3.22Å
302L92.2Very high90.8Very high32 Ų3286.3 Ų86.317%0.16845%0.452CS..Hα-helixtrans-69.8-42.5179-54.1-177.6000111.3M299 Q300 R305 Q306 L317 T320M299-L302 WeakPolarHBondContact O-CA 3.48Å; M299-L302 WeakPolarHBondContact O-CB 3.25Å; M299-L302 PolarHBondContact O-N 3.49Å; Q300-L302 VanDerWaalsContact C-N 3.33Å; Q300-L302 PolarHBondContact O-N 3.32Å; L302-R305 PolarHBondContact O-N 2.83Å; L302-Q306 WeakPolarHBondContact O-CB 3.42Å; L302-Q306 PolarHBondContact O-N 3.23Å; L302-L317 HydrophobicContact CD1-CB 4.43Å; L302-L317 HydrophobicContact CD1-CD1 3.92Å; L302-L317 HydrophobicContact CD2-CD1 4.45Å; L302-T320 HydrophobicContact CD2-CG2 3.89Å; L302-T320 VanDerWaalsContact CD2-OG1 3.27Å; L302-T320 WeakPolarHBondContact CD2-OG1 3.36Å
303M90.6Very high90.7Very high76 Ų7685.1 Ų85.137%0.37445%0.451SS..Hα-helixtrans-65.3-37.2176.8-67.8-177.4-169.700112.2L296 M299 Q300 Q306 K307L296-M303 HydrophobicContact CD2-CE 3.83Å; M299-M303 HydrophobicContact CB-CE 4.14Å; M299-M303 HydrophobicContact CE-CE 4.04Å; M299-M303 WeakPolarHBondContact O-CG 3.37Å; M299-M303 PolarHBondContact O-N 3.46Å; Q300-M303 PolarHBondContact O-N 3.2Å; M303-Q306 PolarHBondContact O-N 3.31Å; M303-K307 WeakPolarHBondContact O-CG 2.97Å; M303-K307 PolarHBondContact O-N 3.46Å
304S91.4Very high90.7Very high66 Ų6693.7 Ų93.746%0.46248%0.481SS..Hα-helixtrans-67.8-43.1176.472.70000111.4Q300 E301 Q306 K307 A308Q300-S304 WeakPolarHBondContact O-CB 3.33Å; Q300-S304 PolarHBondContact O-N 2.77Å; Q300-S304 PolarHBondContact O-OG 3.21Å; E301-S304 PolarHBondContact O-OG 3.45Å; S304-Q306 PolarHBondContact O-N 3.46Å; S304-K307 PolarHBondContact O-N 3.3Å; S304-A308 VanDerWaalsContact O-CB 3.31Å; S304-A308 WeakPolarHBondContact O-CB 3.22Å; S304-A308 PolarHBondContact O-N 3.44Å
305R90.2Very high91Very high27 Ų2792 Ų9210%0.10247%0.473CS..Hα-helixtrans-61.7-41.4173.2-69.8163.6177.4-101.36.9112.5E301 L302 A308 Y309 C316 T320 Q323E301-R305 VanDerWaalsContact O-CD 3.31Å; E301-R305 WeakPolarHBondContact O-CD 3.33Å; E301-R305 VanDerWaalsContact O-CG 3.22Å; E301-R305 WeakPolarHBondContact O-CG 3.45Å; E301-R305 PolarHBondContact O-N 3.17Å; E301-R305 VanDerWaalsContact O-N 3.14Å; E301-R305 IonicContact OE1-CZ 3.36Å; E301-R305 IonicContact OE1-NE 3.26Å; E301-R305 PolarHBondContact OE1-NE 3.33Å; E301-R305 IonicContact OE1-NH2 2.74Å; E301-R305 PolarHBondContact OE1-NH2 3.42Å; L302-R305 PolarHBondContact O-N 2.83Å; R305-A308 PolarHBondContact O-N 3.44Å; R305-Y309 HydrophobicContact CB-CD2 4.27Å; R305-Y309 HydrophobicContact CG-CE2 4.48Å; R305-Y309 WeakPolarHBondContact O-CD2 3.44Å; R305-Y309 PolarHBondContact O-N 3.48Å; R305-C316 HydrophobicContact CB-CB 4.45Å; R305-T320 WeakPolarHBondContact CD-OG1 3.31Å; R305-T320 VanDerWaalsContact CZ-OG1 3.27Å; R305-T320 PolarHBondContact NE-OG1 3.33Å; R305-Q323 VanDerWaalsContact CZ-OE1 3.29Å
306Q92.8Very high91.1Very high81 Ų8187.2 Ų87.238%0.37945%0.449SS..Hα-helixtrans-60.5-45.3175.3-178.4177.8-3.900111.2L302 M303 S304 S310 C316L302-Q306 WeakPolarHBondContact O-CB 3.42Å; L302-Q306 PolarHBondContact O-N 3.23Å; M303-Q306 PolarHBondContact O-N 3.31Å; S304-Q306 PolarHBondContact O-N 3.46Å; Q306-S310 VanDerWaalsContact O-CA 3.31Å; Q306-S310 WeakPolarHBondContact O-CA 3.04Å; Q306-S310 PolarHBondContact O-N 2.92Å; Q306-C316 VanDerWaalsContact CA-SG 3.57Å
307K92.4Very high91.4Very high188 Ų18887.1 Ų87.182%0.81745%0.448SS*.Hα-helixtrans-66.9-36.6176.1-72.4176.8179.2-177.70113.1M303 S304M303-K307 WeakPolarHBondContact O-CG 2.97Å; M303-K307 PolarHBondContact O-N 3.46Å; S304-K307 PolarHBondContact O-N 3.3Å
308A93.1Very high91.8Very high70 Ų7086.8 Ų86.858%0.57944%0.444SS*.Hα-helixtrans-78.9-32.9-176.500000114.1S304 R305S304-A308 VanDerWaalsContact O-CB 3.31Å; S304-A308 WeakPolarHBondContact O-CB 3.22Å; S304-A308 PolarHBondContact O-N 3.44Å; R305-A308 PolarHBondContact O-N 3.44Å
309Y91.8Very high92Very high157 Ų15785.7 Ų85.762%0.61644%0.436SS*.Hα-helixtrans-119.7-1.9-172-55.9-62.1000114.5R305 L311R305-Y309 HydrophobicContact CB-CD2 4.27Å; R305-Y309 HydrophobicContact CG-CE2 4.48Å; R305-Y309 WeakPolarHBondContact O-CD2 3.44Å; R305-Y309 PolarHBondContact O-N 3.48Å; Y309-L311 PolarHBondContact O-N 3.47Å
310S90.8Very high92.1Very high118 Ų11882.5 Ų82.583%0.82542%0.421SS*.  trans54.918.9-176.459.80000115.5Q306Q306-S310 VanDerWaalsContact O-CA 3.31Å; Q306-S310 WeakPolarHBondContact O-CA 3.04Å; Q306-S310 PolarHBondContact O-N 2.92Å
311L88.7Confident92.4Very high72 Ų7281.2 Ų81.238%0.37742%0.417SS..  trans-71.5158.3177.4-65.4174.3000111.6Y309Y309-L311 PolarHBondContact O-N 3.47Å
312T92.9Very high92.4Very high70 Ų7083.7 Ų83.743%0.42943%0.428SS..  trans-64.6153.1172.187.50000110.8R314 D315 C316T312-R314 PolarHBondContact O-N 3Å; T312-R314 PolarHBondContact OG1-N 3.48Å; T312-D315 WeakPolarHBondContact CG2-OD2 3.27Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 PolarHBondContact OG1-N 3.5Å; T312-D315 PolarHBondContact OG1-OD2 2.87Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 3.05Å
313P91.4Very high92.3Very high78 Ų7885.7 Ų85.751%0.50644%0.436SS..Hα-helixtrans-57.3-33.3174.5-24.933.2000113.3D315 L317P313-D315 VanDerWaalsContact C-N 3.35Å; P313-L317 PolarHBondContact O-N 3.25Å
314R93.8Very high92.4Very high195 Ų19586.1 Ų86.174%0.73644%0.436SS*.Hα-helixtrans-63.1-40.8175.5-72.6-77.9-168.7164.72111.4T312 L317 K318T312-R314 PolarHBondContact O-N 3Å; T312-R314 PolarHBondContact OG1-N 3.48Å; R314-L317 PolarHBondContact O-N 2.85Å; R314-K318 WeakPolarHBondContact O-CG 3.26Å; R314-K318 PolarHBondContact O-N 2.89Å
315D95Very high92.4Very high50 Ų5089.2 Ų89.227%0.26744%0.437SS..Hα-helixtrans-83.4-29.8-177.3-55.7-52.4000112.1T312 P313 L317 K318 T319T312-D315 WeakPolarHBondContact CG2-OD2 3.27Å; T312-D315 PolarHBondContact O-N 2.85Å; T312-D315 PolarHBondContact OG1-N 3.5Å; T312-D315 PolarHBondContact OG1-OD2 2.87Å; P313-D315 VanDerWaalsContact C-N 3.35Å; D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 3.43Å; D315-K318 PolarHBondContact O-N 3.29Å; D315-K318 WeakPolarHBondContact OD1-CD 3.47Å; D315-K318 WeakPolarHBondContact OD1-CE 3.34Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 3.05Å; D315-T319 WeakPolarHBondContact O-CB 3.41Å; D315-T319 WeakPolarHBondContact O-CG2 3.41Å; D315-T319 PolarHBondContact O-N 3.15Å; D315-T319 PolarHBondContact O-OG1 3.42Å
316C94.3Very high92.5Very high0 Ų092.1 Ų92.10%045%0.452CS..Hα-helixtrans-57-45.1164.3-64.80000110.8R305 Q306 T312 T319 T320R305-C316 HydrophobicContact CB-CB 4.45Å; Q306-C316 VanDerWaalsContact CA-SG 3.57Å; T312-C316 PolarHBondContact O-N 3.01Å; T312-C316 PolarHBondContact O-SG 3.05Å; C316-T319 PolarHBondContact O-OG1 2.86Å; C316-T320 VanDerWaalsContact O-CB 3.26Å; C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 3.19Å; C316-T320 PolarHBondContact O-OG1 3.5Å
317L95.3Very high92.3Very high76 Ų7695.9 Ų95.940%0.39846%0.463SS..Hα-helixtrans-63.2-52.1175.6-179.763.6000111.9L302 P313 R314 D315 T319 T320 L321L302-L317 HydrophobicContact CD1-CB 4.43Å; L302-L317 HydrophobicContact CD1-CD1 3.92Å; L302-L317 HydrophobicContact CD2-CD1 4.45Å; P313-L317 PolarHBondContact O-N 3.25Å; R314-L317 PolarHBondContact O-N 2.85Å; D315-L317 VanDerWaalsContact C-N 3.3Å; D315-L317 PolarHBondContact O-N 3.43Å; L317-T319 PolarHBondContact O-N 2.98Å; L317-T320 PolarHBondContact O-N 3.47Å; L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.86Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.04Å
318K94.3Very high92Very high131 Ų13194 Ų9457%0.5746%0.459SS*.Hα-helixtrans-53.9-51.1178.1-70.3171.5-165.2162.60112.2R314 D315 T320 L321 F322R314-K318 WeakPolarHBondContact O-CG 3.26Å; R314-K318 PolarHBondContact O-N 2.89Å; D315-K318 PolarHBondContact O-N 3.29Å; D315-K318 WeakPolarHBondContact OD1-CD 3.47Å; D315-K318 WeakPolarHBondContact OD1-CE 3.34Å; D315-K318 IonicContact OD1-NZ 2.69Å; D315-K318 PolarHBondContact OD1-NZ 3.05Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.87Å; K318-L321 PolarHBondContact O-N 3.48Å; K318-F322 WeakPolarHBondContact O-CB 3.47Å; K318-F322 PolarHBondContact O-N 3.14Å
319T91.7Very high91.3Very high53 Ų5394.9 Ų94.933%0.32545%0.452SS..Hα-helixtrans-66.7-35.5-177.552.50000112.2D315 C316 L317 Q323D315-T319 WeakPolarHBondContact O-CB 3.41Å; D315-T319 WeakPolarHBondContact O-CG2 3.41Å; D315-T319 PolarHBondContact O-N 3.15Å; D315-T319 PolarHBondContact O-OG1 3.42Å; C316-T319 PolarHBondContact O-OG1 2.86Å; L317-T319 PolarHBondContact O-N 2.98Å; T319-Q323 WeakPolarHBondContact O-CB 3.24Å; T319-Q323 VanDerWaalsContact O-CG 3.24Å; T319-Q323 WeakPolarHBondContact O-CG 3.35Å; T319-Q323 PolarHBondContact O-N 3.42Å
320T92.2Very high90Very high5 Ų593 Ų933%0.03146%0.459CS..Hα-helixtrans-67.6-47.1175.2-56.40000111.8E301 L302 R305 C316 L317 K318 Q323 K324E301-T320 HydrophobicContact CG-CG2 4.41Å; E301-T320 WeakPolarHBondContact OE1-CG2 3.44Å; L302-T320 HydrophobicContact CD2-CG2 3.89Å; L302-T320 VanDerWaalsContact CD2-OG1 3.27Å; L302-T320 WeakPolarHBondContact CD2-OG1 3.36Å; R305-T320 WeakPolarHBondContact CD-OG1 3.31Å; R305-T320 VanDerWaalsContact CZ-OG1 3.27Å; R305-T320 PolarHBondContact NE-OG1 3.33Å; C316-T320 VanDerWaalsContact O-CB 3.26Å; C316-T320 WeakPolarHBondContact O-CB 3.34Å; C316-T320 PolarHBondContact O-N 3.19Å; C316-T320 PolarHBondContact O-OG1 3.5Å; L317-T320 PolarHBondContact O-N 3.47Å; K318-T320 VanDerWaalsContact C-N 3.34Å; K318-T320 PolarHBondContact O-N 2.87Å; T320-Q323 PolarHBondContact O-N 3.28Å; T320-K324 HydrophobicContact CG2-CD 4.24Å; T320-K324 WeakPolarHBondContact O-CB 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.34Å; T320-K324 PolarHBondContact O-N 2.91Å
321L93.4Very high88.4Confident104 Ų10495.1 Ų95.155%0.54546%0.456SS..Hα-helixtrans-61.1-46.9176.9-71.1173.1000111.3L317 K318 Q323 K324 W325L317-L321 HydrophobicContact CD1-CD1 3.85Å; L317-L321 HydrophobicContact CD1-CG 3.99Å; L317-L321 HydrophobicContact CG-CD1 3.86Å; L317-L321 HydrophobicContact CG-CG 4.39Å; L317-L321 WeakPolarHBondContact O-CB 3.4Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.04Å; K318-L321 PolarHBondContact O-N 3.48Å; L321-Q323 PolarHBondContact O-N 2.96Å; L321-K324 PolarHBondContact O-N 2.72Å; L321-W325 WeakPolarHBondContact O-CB 3.34Å; L321-W325 PolarHBondContact O-N 3.03Å
322F92.9Very high86.6Confident109 Ų10999.9 Ų99.948%0.47848%0.476SS..Hα-helixtrans-61.2-45.4178.1-174.3-107.4000112.1K318 K324 W325 Q326K318-F322 WeakPolarHBondContact O-CB 3.47Å; K318-F322 PolarHBondContact O-N 3.14Å; F322-K324 PolarHBondContact O-N 3.21Å; F322-W325 AromaticContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CZ3 4.23Å; F322-W325 AromaticContact CE2-CE3 3.96Å; F322-W325 HydrophobicContact CE2-CE3 3.96Å; F322-W325 AromaticContact CE2-CZ3 3.74Å; F322-W325 HydrophobicContact CE2-CZ3 3.74Å; F322-W325 PolarHBondContact O-N 2.91Å; F322-Q326 HydrophobicContact CD1-CG 4.36Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 VanDerWaalsContact CE1-OE1 3.26Å; F322-Q326 HydrophobicContact CE2-CG 4.45Å; F322-Q326 HydrophobicContact CZ-CG 4.12Å; F322-Q326 WeakPolarHBondContact O-CB 3.39Å; F322-Q326 WeakPolarHBondContact O-CG 3.36Å; F322-Q326 PolarHBondContact O-N 3.49Å
323Q90.1Very high84.3Confident74 Ų74100.7 Ų100.735%0.34649%0.49SS..Hα-helixtrans-65.8-35.8175.8-75175.70.900113.3R305 T319 T320 L321 R327R305-Q323 VanDerWaalsContact CZ-OE1 3.29Å; T319-Q323 WeakPolarHBondContact O-CB 3.24Å; T319-Q323 VanDerWaalsContact O-CG 3.24Å; T319-Q323 WeakPolarHBondContact O-CG 3.35Å; T319-Q323 PolarHBondContact O-N 3.42Å; T320-Q323 PolarHBondContact O-N 3.28Å; L321-Q323 PolarHBondContact O-N 2.96Å; Q323-R327 WeakPolarHBondContact O-CG 3.47Å; Q323-R327 PolarHBondContact O-N 3.26Å
324K91.2Very high82.1Confident84 Ų84103.1 Ų103.137%0.36550%0.503SS..Hα-helixtrans-67.9-44.7174.6-75.5-177.2-179.3179.90110.7E301 T320 L321 F322 Q326 R327 M328E301-K324 WeakPolarHBondContact OE2-CE 3.31Å; E301-K324 IonicContact OE2-NZ 2.65Å; E301-K324 PolarHBondContact OE2-NZ 3.22Å; T320-K324 HydrophobicContact CG2-CD 4.24Å; T320-K324 WeakPolarHBondContact O-CB 3.31Å; T320-K324 WeakPolarHBondContact O-CG 3.34Å; T320-K324 PolarHBondContact O-N 2.91Å; L321-K324 PolarHBondContact O-N 2.72Å; F322-K324 PolarHBondContact O-N 3.21Å; K324-Q326 PolarHBondContact O-N 3.05Å; K324-R327 PolarHBondContact O-N 2.65Å; K324-R327 VanDerWaalsContact O-N 3.13Å; K324-M328 WeakPolarHBondContact O-CG 3.3Å; K324-M328 PolarHBondContact O-N 2.64Å; K324-M328 VanDerWaalsContact O-N 3.08Å
325W92.5Very high79.5Confident131 Ų131104.9 Ų104.950%0.49651%0.51SS..Hα-helixtrans-57.7-48174.3177.775.3000112.3L321 F322 R327 M328 M329L321-W325 WeakPolarHBondContact O-CB 3.34Å; L321-W325 PolarHBondContact O-N 3.03Å; F322-W325 AromaticContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CE3 4Å; F322-W325 HydrophobicContact CD2-CZ3 4.23Å; F322-W325 AromaticContact CE2-CE3 3.96Å; F322-W325 HydrophobicContact CE2-CE3 3.96Å; F322-W325 AromaticContact CE2-CZ3 3.74Å; F322-W325 HydrophobicContact CE2-CZ3 3.74Å; F322-W325 PolarHBondContact O-N 2.91Å; W325-R327 PolarHBondContact O-N 3.43Å; W325-R327 VanDerWaalsContact O-N 3.11Å; W325-M328 PolarHBondContact O-N 2.91Å; W325-M329 HydrophobicContact CD2-CG 4.28Å; W325-M329 HydrophobicContact CD2-SD 4.03Å; W325-M329 VanDerWaalsContact CE2-SD 3.57Å; W325-M329 HydrophobicContact CE3-SD 4.14Å; W325-M329 HydrophobicContact CH2-CE 4.46Å; W325-M329 HydrophobicContact CH2-SD 3.45Å; W325-M329 WeakPolarHBondContact CH2-SD 3.49Å; W325-M329 HydrophobicContact CZ2-CE 4.16Å; W325-M329 HydrophobicContact CZ2-CG 4.27Å; W325-M329 HydrophobicContact CZ2-SD 3.3Å; W325-M329 WeakPolarHBondContact CZ2-SD 3.42Å; W325-M329 HydrophobicContact CZ3-SD 3.87Å; W325-M329 WeakPolarHBondContact O-CG 3.45Å; W325-M329 PolarHBondContact O-N 3.42Å
326Q91.4Very high76.9Confident88 Ų88110.9 Ų110.941%0.41154%0.537SS..Hα-helixtrans-61.1-19.3176.1-75-172.8-54.100115F322 K324F322-Q326 HydrophobicContact CD1-CG 4.36Å; F322-Q326 HydrophobicContact CE1-CG 4.07Å; F322-Q326 VanDerWaalsContact CE1-OE1 3.26Å; F322-Q326 HydrophobicContact CE2-CG 4.45Å; F322-Q326 HydrophobicContact CZ-CG 4.12Å; F322-Q326 WeakPolarHBondContact O-CB 3.39Å; F322-Q326 WeakPolarHBondContact O-CG 3.36Å; F322-Q326 PolarHBondContact O-N 3.49Å; K324-Q326 PolarHBondContact O-N 3.05Å
327R88.7Confident74.4Confident161 Ų161116.8 Ų116.861%0.60858%0.575SS**Hα-helixtrans-91.9-24.2172.9-67.1-177-150.2112.1-4.7113.7Q323 K324 W325Q323-R327 WeakPolarHBondContact O-CG 3.47Å; Q323-R327 PolarHBondContact O-N 3.26Å; K324-R327 PolarHBondContact O-N 2.65Å; K324-R327 VanDerWaalsContact O-N 3.13Å; W325-R327 PolarHBondContact O-N 3.43Å; W325-R327 VanDerWaalsContact O-N 3.11Å
328M86.2Confident72Confident148 Ų148118.3 Ų118.373%0.72959%0.592SS**Hα-helixtrans-87.4-28.3177.9-67-176.4-55.700112.1K324 W325K324-M328 WeakPolarHBondContact O-CG 3.3Å; K324-M328 PolarHBondContact O-N 2.64Å; K324-M328 VanDerWaalsContact O-N 3.08Å; W325-M328 PolarHBondContact O-N 2.91Å
329M79.8Confident69.4Low89 Ų89121.8 Ų121.844%0.43861%0.607SS.*SBendtrans-60135.3165.9-70.1-167.78100109.9W325 Q331W325-M329 HydrophobicContact CD2-CG 4.28Å; W325-M329 HydrophobicContact CD2-SD 4.03Å; W325-M329 VanDerWaalsContact CE2-SD 3.57Å; W325-M329 HydrophobicContact CE3-SD 4.14Å; W325-M329 HydrophobicContact CH2-CE 4.46Å; W325-M329 HydrophobicContact CH2-SD 3.45Å; W325-M329 WeakPolarHBondContact CH2-SD 3.49Å; W325-M329 HydrophobicContact CZ2-CE 4.16Å; W325-M329 HydrophobicContact CZ2-CG 4.27Å; W325-M329 HydrophobicContact CZ2-SD 3.3Å; W325-M329 WeakPolarHBondContact CZ2-SD 3.42Å; W325-M329 HydrophobicContact CZ3-SD 3.87Å; W325-M329 WeakPolarHBondContact O-CG 3.45Å; W325-M329 PolarHBondContact O-N 3.42Å; M329-Q331 PolarHBondContact O-N 3.27Å; M329-Q331 VanDerWaalsContact O-N 3.13Å
330P63.4Low66.6Low117 Ų117130.5 Ų130.576%0.7663%0.634SS**  trans-53122.3164.4-24.634.4000109.5E332P330-E332 PolarHBondContact O-N 3.38Å
331Q56.9Low64.2Low162 Ų162141.1 Ų141.176%0.75767%0.673SS**  trans-6981.8163.4-75.9-75.8-50.800106.9M329 A333M329-Q331 PolarHBondContact O-N 3.27Å; M329-Q331 VanDerWaalsContact O-N 3.13Å; Q331-A333 PolarHBondContact O-N 3.4Å
332E52.3Low61.5Low173 Ų173146.1 Ų146.181%0.80869%0.691SS**  trans-54.7116.1175-179.5162.8-145.800107.6P330 T334P330-E332 PolarHBondContact O-N 3.38Å; E332-T334 VanDerWaalsContact C-N 3.26Å; E332-T334 PolarHBondContact O-N 3.49Å
333A44.5Very low59Low86 Ų86152.2 Ų152.271%0.71171%0.711SS**  trans-72.886.1-163.100000109.5Q331 R335Q331-A333 PolarHBondContact O-N 3.4Å; A333-R335 PolarHBondContact O-N 2.86Å
334T44.3Very low56.5Low129 Ų129157.6 Ų157.679%0.79173%0.733SS**  trans-62.275.6165.947.20000108.2E332 Q336E332-T334 VanDerWaalsContact C-N 3.26Å; E332-T334 PolarHBondContact O-N 3.49Å; T334-Q336 PolarHBondContact O-N 3.13Å
335R38.4Very low54.1Low233 Ų233157 Ų15788%0.87975%0.75SS**  trans-47.5105175.4-83.1-175.8162.4-152.7-3.2106.5A333 P337A333-R335 PolarHBondContact O-N 2.86Å; R335-P337 VanDerWaalsContact O-N 3.12Å
336Q42.1Very low51.5Low176 Ų176156.6 Ų156.682%0.82277%0.767SS**  trans-51.7128.1-179.1-67.7-17010.800107.1T334 S338T334-Q336 PolarHBondContact O-N 3.13Å; Q336-S338 PolarHBondContact O-N 3.08Å
337P40.1Very low49.3Very low123 Ų123158.1 Ų158.180%0.79979%0.788SS**  trans-68.185.5178.926.4-33.1000107.6R335 K339R335-P337 VanDerWaalsContact O-N 3.12Å; P337-K339 PolarHBondContact O-N 3.02Å
338S45.1Very low47.1Very low109 Ų109154.1 Ų154.176%0.76279%0.789SS**  trans-49.9119.1-176.2177.90000107.3Q336 R340Q336-S338 PolarHBondContact O-N 3.08Å; S338-R340 VanDerWaalsContact C-N 3.26Å; S338-R340 PolarHBondContact O-N 2.91Å
339K39.5Very low45.1Very low203 Ų203153 Ų15388%0.88379%0.791SS**  trans-62.686.8-163-70.1178.3179.1174.40109.7P337 R341P337-K339 PolarHBondContact O-N 3.02Å; K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.4Å
340R34.1Very low43.1Very low236 Ų236154.2 Ų154.289%0.89180%0.803SS**  trans-61.392.9-173.9177.3177.3162.7-173.8-5.9108.5S338 K342S338-R340 VanDerWaalsContact C-N 3.26Å; S338-R340 PolarHBondContact O-N 2.91Å; R340-K342 PolarHBondContact O-N 3.23Å; R340-K342 VanDerWaalsContact O-N 3.08Å
341R41.8Very low42.2Very low228 Ų228157.6 Ų157.686%0.8681%0.809SS**  trans-45.4117.2-173.9-169.9174.579.4174.46109.3K339 R343K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 3.4Å; R341-R343 VanDerWaalsContact C-N 3.31Å; R341-R343 PolarHBondContact O-N 3.45Å
342K36.2Very low41.3Very low210 Ų210153.3 Ų153.391%0.91381%0.809SS**  trans-51.684.8-167.5-168.5176.4-175.7177.60111.8R340 K344R340-K342 PolarHBondContact O-N 3.23Å; R340-K342 VanDerWaalsContact O-N 3.08Å; K342-K344 PolarHBondContact O-N 3.35Å
343R41.5Very low40.6Very low236 Ų236149.4 Ų149.489%0.89181%0.806SS**  trans-83.3101.3-173-152.7169.6-173.91640107.6R341 G345R341-R343 VanDerWaalsContact C-N 3.31Å; R341-R343 PolarHBondContact O-N 3.45Å; R343-G345 PolarHBondContact O-N 3.41Å
344K37.1Very low40.4Very low188 Ų188152.5 Ų152.582%0.81781%0.81SS**  trans-49.1123.3-172.9-166.8178.4-178.6-175.30111.1K342 S346K342-K344 PolarHBondContact O-N 3.35Å; K344-S346 PolarHBondContact O-OG 3.25Å
345G40.7Very low40.2Very low71 Ų71152.7 Ų152.773%0.73281%0.806SS**  trans-59.6141.3171.600000110.4R343R343-G345 PolarHBondContact O-N 3.41Å
346S37.6Very low40.3Very low122 Ų122146.4 Ų146.485%0.85379%0.794SS**  trans-12496.9-174.7-59.40000109.8K344K344-S346 PolarHBondContact O-OG 3.25Å
347S44.7Very low40.1Very low120 Ų120142.7 Ų142.784%0.83979%0.787SS**  trans-168.2128.7174.1179.70000107
348A43.3Very low40.2Very low77 Ų77147.9 Ų147.964%0.63679%0.791SS**  cis-154.3-164.8-11.700000108.7
349T42.8Very low40Very low125 Ų125149.1 Ų149.177%0.76780%0.795SS**  trans63101.6152.9420000120.1
350T38.7Very low40.3Very low114 Ų114143.5 Ų143.570%0.69978%0.781SS**  80.9135.5129.3-7.30000121.6
351E43.7Very low40.6Very low189 Ų189141.2 Ų141.288%0.88378%0.777SS**  trans63.8137.8161.3-42.9-169-172.300118.5
352G37.9Very low40.4Very low72 Ų72140.5 Ų140.574%0.74278%0.775SS**  cis179.1154.4-8.200000113.1
353A39.5Very low40.5Very low91 Ų91138.8 Ų138.875%0.75277%0.767SS**  trans66.1132165.200000121.8
354N39.4Very low40.4Very low150 Ų150134.7 Ų134.780%0.80276%0.758SS**  trans70.7140.4139.2-69.4-12.2000122.1
355N40.1Very low40.7Very low133 Ų133130.3 Ų130.371%0.71175%0.751SS**  cis-162.7165-19.1-157.2-2.1000112.6
356T41Very low40.3Very low102 Ų102132.5 Ų132.563%0.62675%0.752SS**  trans61.798.7150.418.10000123.2
357S37.2Very low40.3Very low97 Ų97134.5 Ų134.568%0.67875%0.752SS**  71159.212979.90000119.2
358R42.8Very low40Very low232 Ų232133.8 Ų133.888%0.87574%0.744SS**  cis-138.1172.421.4-64.1178.3-178.1178.41.1113.9
359T40.2Very low39.7Very low136 Ų136138 Ų13883%0.83476%0.755SS**  trans-61.2166.617854.30000113.1
360S45.1Very low39.1Very low84 Ų84140.7 Ų140.759%0.58776%0.759SS**  176.1138.857.1-178.30000113.4
361K40.6Very low39Very low188 Ų188140.5 Ų140.582%0.81776%0.762SS**  trans57.5145.3151.2-66.7168-169.7171.90118.1
362R38.7Very low38.8Very low214 Ų214137.9 Ų137.981%0.80875%0.75SS**  cis-165.8149.118.8-133.9175.6-175.5176.81.6109.7
363K37.3Very low38.5Very low174 Ų174141.9 Ų141.976%0.75775%0.749SS**  trans66.1147.6159.2-67.1-172.1174.7-163.80118.1
364Q39Very low38.3Very low149 Ų149145.7 Ų145.770%0.69676%0.755SS**  cis-167.5120.8-12.8165.2166.1-14.600111.5
365S43.6Very low38.2Very low96 Ų96142.6 Ų142.667%0.67175%0.75SS**  trans39.3156.3151.666.30000123.7
366P33.9Very low38.2Very low118 Ų118144.6 Ų144.677%0.76676%0.755SS**  cis-136.8157.6-41.138.2-21.7000114.6
367I37.8Very low38.4Very low164 Ų164145.7 Ų145.784%0.84176%0.764SS**  trans-115.9131.8164.8-67.3167.8000104.2
368P36.5Very low38.6Very low105 Ų105144.2 Ų144.268%0.68276%0.764SS**  -160.8158.582.640.9-19.6000119.1
369L36.9Very low38.6Very low164 Ų164140.8 Ų140.886%0.85976%0.763SS**  -178169102.6-99.2165000112.2
370Q32.1Very low39.2Very low183 Ų183140.6 Ų140.686%0.85576%0.761SS**  trans-117.1145-177.4-62169.9-53.500109.8
371S36.6Very low39.4Very low109 Ų109143.6 Ų143.676%0.76277%0.768SS**  trans-146.1112.4157.4-164.20000112.6
372H39.3Very low40.3Very low135 Ų135142.2 Ų142.263%0.62577%0.768SS**  trans25.999.2141.2-57.6-74000120.2I374H372-I374 PolarHBondContact O-N 2.93Å
373H30.2Very low40.9Very low156 Ų156137.5 Ų137.572%0.72276%0.762SS**  trans-4.4107.8133.138.3-105.4000117.8
374I36.3Very low42.5Very low171 Ų171131.7 Ų131.788%0.87775%0.752SS**  trans-118153.6145.2-108.973.7000107.4H372H372-I374 PolarHBondContact O-N 2.93Å
375A37.8Very low43.4Very low84 Ų84133 Ų13369%0.69476%0.758SS**  trans-103.2142.1-166.500000114.4
376Q39.1Very low44Very low175 Ų175132.4 Ų132.482%0.81875%0.752SS**  trans44.3106.6152-51-66.532.500119.1
377P44.8Very low45Very low125 Ų125133.2 Ų133.281%0.81276%0.755SS**  trans-71.6142.1149.733-31.7000109.7
378G41.8Very low45.8Very low66 Ų66133.5 Ų133.568%0.6876%0.757SS**  trans-91.7135173.300000111.7V380G378-V380 PolarHBondContact O-N 3.31Å
379D42.7Very low46.6Very low161 Ų161136.8 Ų136.886%0.86177%0.765SS**  trans-67.7113.7174.3-68.1-37.8000110.4M381D379-M381 PolarHBondContact O-N 2.98Å
380V54Low47.2Very low131 Ų131132.8 Ų132.879%0.79476%0.764SS**  trans-85.3104.6174.6179.50000109.1G378G378-V380 PolarHBondContact O-N 3.31Å
381M48.7Very low47.7Very low147 Ų147128 Ų12872%0.72476%0.764SS**PPolyproline II helixtrans-82.3118.4168.8-62-155.6-54.600110D379D379-M381 PolarHBondContact O-N 2.98Å
382I59.7Low48Very low160 Ų160130.4 Ų130.482%0.82177%0.768SS**PPolyproline II helixtrans-81117.5172.7-60176.7000108.1
383V51.9Low48.1Very low114 Ų114134.2 Ų134.269%0.69178%0.784SS**PPolyproline II helixtrans-83.1127.7173.4179.20000108.7E385V383-E385 PolarHBondContact O-N 3.25Å
384G69Low49.1Very low52 Ų52129.8 Ų129.854%0.53678%0.78SS.*PPolyproline II helixtrans-72.2121.3169.300000111.1R399G384-R399 PolarHBondContact O-NH1 2.6Å
385E59.5Low49.9Very low176 Ų176129.9 Ų129.982%0.82278%0.782SS**PPolyproline II helixtrans-60.2133.4172.7-73.7-67.8167.900111V383V383-E385 PolarHBondContact O-N 3.25Å
386P55.3Low51Low85 Ų85134.5 Ų134.555%0.55279%0.789SS**PPolyproline II helixtrans-74.3139176.931-33.1000111.3L388P386-L388 PolarHBondContact O-N 3.18Å
387T55.3Low51.8Low135 Ų135132.1 Ų132.183%0.82878%0.782SS**  trans-73.7110.8178.1-630000110.7M389T387-M389 VanDerWaalsContact C-N 3.33Å; T387-M389 PolarHBondContact O-N 3.34Å
388L54.3Low52.9Low169 Ų169134.8 Ų134.889%0.88578%0.784SS**  trans-79.766.8-175.7-171.172000112.8P386P386-L388 PolarHBondContact O-N 3.18Å
389M53.5Low53.6Low174 Ų174138.6 Ų138.686%0.85778%0.778SS**SBendtrans-162.4118.8167.2-152.177.368.400113.6T387T387-M389 VanDerWaalsContact C-N 3.33Å; T387-M389 PolarHBondContact O-N 3.34Å
390G48.9Very low54.5Low80 Ų80138.9 Ų138.983%0.82578%0.778SS**  trans94.8144.8166.800000116.4
391G42.2Very low54.6Low84 Ų84139.1 Ų139.187%0.86677%0.774SS**  trans-79.5178.3172.400000113
392D43.3Very low55.2Low158 Ų158138.2 Ų138.285%0.84578%0.777SS**  cis-131.916826.9-162.98.2000113.1G394D392-G394 PolarHBondContact O-N 2.91Å
393F41.7Very low55.1Low216 Ų216141.6 Ų141.695%0.94778%0.779SS**  trans-76.9109.2-177-86.1-102.1000112.5
394G52Low55.4Low62 Ų62143.4 Ų143.464%0.63978%0.784SS**  trans-125.4136.6169.900000111.7D392 E396D392-G394 PolarHBondContact O-N 2.91Å; G394-E396 PolarHBondContact O-N 3.04Å
395D53.4Low54.8Low174 Ų174149 Ų14993%0.9380%0.796SS**SBendtrans-82.132.8-162.8-133.43.2000114.4
396E59.9Low54.2Low181 Ų181147.7 Ų147.785%0.84680%0.795SS**  trans-13112.9-162.1-59.3-92.1141.200115G394 E398G394-E396 PolarHBondContact O-N 3.04Å; E396-E398 PolarHBondContact O-N 3.22Å
397D56.7Low53.8Low124 Ų124149.2 Ų149.266%0.66380%0.803SS**  trans-75.555.3-177-167.845.4000114.3R399D397-R399 PolarHBondContact O-N 3.15Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 2.75Å; D397-R399 IonicContact OD2-NH2 3.21Å
398E66.5Low53.1Low182 Ų182152.1 Ų152.185%0.8581%0.807SS**  trans-72.295.9172.4-74.9-156159.700111.6E396 L400E396-E398 PolarHBondContact O-N 3.22Å; E398-L400 PolarHBondContact O-N 3.03Å
399R57.5Low52.4Low146 Ų146154 Ų15455%0.55180%0.804SS**  trans-61.4114.5-177.9-64.9-178.7174.6-131.9-7.9113.1G384 D397 I401G384-R399 PolarHBondContact O-NH1 2.6Å; D397-R399 PolarHBondContact O-N 3.15Å; D397-R399 IonicContact OD2-NE 3.91Å; D397-R399 PolarHBondContact OD2-NE 2.75Å; D397-R399 IonicContact OD2-NH2 3.21Å; R399-I401 PolarHBondContact O-N 2.92Å
400L60.2Low52Low166 Ų166150.8 Ų150.887%0.86979%0.79SS**  trans-65.4100.2178.1-65.8174.4000112.9E398 T402E398-L400 PolarHBondContact O-N 3.03Å; L400-T402 PolarHBondContact O-N 3.43Å; L400-T402 VanDerWaalsContact O-N 3.15Å
401I56.2Low52.2Low136 Ų136150.1 Ų150.170%0.69778%0.777SS**  trans-77.198.5173.4-55.6177.6000109.9R399R399-I401 PolarHBondContact O-N 2.92Å
402T63Low52.8Low129 Ų129151.6 Ų151.679%0.79177%0.769SS**  trans-79.7119.8174.2-59.20000110.5L400L400-T402 PolarHBondContact O-N 3.43Å; L400-T402 VanDerWaalsContact O-N 3.15Å
403R56.1Low53.3Low230 Ų230147.4 Ų147.487%0.86876%0.756SS**  trans-77.7121.8168.5-71.4-177118.7122.45.6109.7E405R403-E405 PolarHBondContact O-N 3.48Å
404L59.5Low53.8Low153 Ų153140.1 Ų140.180%0.80174%0.736SS**  trans-75.5111.2169.5-17171.6000109.6
405E55.1Low53.8Low168 Ų168141 Ų14179%0.78574%0.737SS**  trans-90.9103.7171.362.9-179.2164.900111.3R403 T407R403-E405 PolarHBondContact O-N 3.48Å; E405-T407 PolarHBondContact O-N 3.46Å
406N47.9Very low53.7Low149 Ų149136.6 Ų136.680%0.79773%0.725SS**  trans-69.390.2175.7-76.2-5.7000110.8
407T47.6Very low53.2Low118 Ų118132.4 Ų132.472%0.72472%0.721SS**  trans-84.4144161.728.10000110.3E405E405-T407 PolarHBondContact O-N 3.46Å
408Q40.2Very low52.7Low195 Ų195133.8 Ų133.891%0.91173%0.729SS**  trans65.883.8178.3-55.1-174.7-1.300116.4
409Y39.8Very low51.6Low210 Ų210130.8 Ų130.882%0.82473%0.728SS**  trans-101.694.2153.5-169.3-85.7000108.7A411Y409-A411 HydrophobicContact CD1-CB 4.38Å; Y409-A411 HydrophobicContact CE1-CB 4.15Å; Y409-A411 PolarHBondContact O-N 3Å
410D44.3Very low50.6Low106 Ų106127.6 Ų127.657%0.56774%0.74SS**  trans-85.3105.5171.4-170.5-15.3000110.1V412D410-V412 PolarHBondContact O-N 3.04Å; D410-V412 WeakPolarHBondContact OD1-CB 3.47Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.42Å; D410-V412 PolarHBondContact OD1-N 3.49Å
411A53.6Low49.5Very low66 Ų66126 Ų12655%0.54574%0.737SS.*THydrogen-bonded Turntrans-69.3-11.1-179.500000114Y409Y409-A411 HydrophobicContact CD1-CB 4.38Å; Y409-A411 HydrophobicContact CE1-CB 4.15Å; Y409-A411 PolarHBondContact O-N 3Å
412V55.1Low48.6Very low115 Ų115128.4 Ų128.470%0.69775%0.748SS**THydrogen-bonded Turntrans-80.3-37.6-179.7-173.90000111.3D410 A414 A415D410-V412 PolarHBondContact O-N 3.04Å; D410-V412 WeakPolarHBondContact OD1-CB 3.47Å; D410-V412 WeakPolarHBondContact OD1-CG2 3.42Å; D410-V412 PolarHBondContact OD1-N 3.49Å; V412-A414 PolarHBondContact O-N 2.93Å; V412-A415 PolarHBondContact O-N 3.47Å
413A53.5Low47.3Very low70 Ų70126 Ų12658%0.57974%0.74SS**Hα-helixtrans-66.5-38.8-179.100000112.9A415 A416A413-A415 VanDerWaalsContact C-N 3.26Å; A413-A415 PolarHBondContact O-N 3.11Å; A413-A416 PolarHBondContact O-N 3.35Å
414A51Low46.3Very low63 Ų63120.2 Ų120.252%0.52174%0.736SS.*Hα-helixtrans-67.5-22.3-177.600000114.1V412V412-A414 PolarHBondContact O-N 2.93Å
415A52.5Low45.2Very low80 Ų80120.6 Ų120.666%0.66173%0.733SS**Hα-helixtrans-77.8-24.6-178.400000113.6V412 A413V412-A415 PolarHBondContact O-N 3.47Å; A413-A415 VanDerWaalsContact C-N 3.26Å; A413-A415 PolarHBondContact O-N 3.11Å
416A52.4Low44.7Very low82 Ų82119.3 Ų119.368%0.67873%0.73SS**Hα-helixtrans-81.6-23.7-17400000114A413 N418A413-A416 PolarHBondContact O-N 3.35Å; A416-N418 VanDerWaalsContact C-N 3.29Å; A416-N418 PolarHBondContact O-N 2.89Å
417A48.7Very low44.1Very low92 Ų92118.7 Ų118.776%0.7673%0.727SS**THydrogen-bonded Turntrans-79.3-3.1-171.900000115.1
418N46.6Very low43.8Very low154 Ų154117.6 Ų117.682%0.82472%0.724SS**THydrogen-bonded Turntrans-114.924.2-164.6-143.332.9000114.4A416A416-N418 VanDerWaalsContact C-N 3.29Å; A416-N418 PolarHBondContact O-N 2.89Å
419S43.1Very low43.7Very low119 Ų119111.8 Ų111.883%0.83272%0.716SS**  trans-153.2125.7176.2-148.70000111.6
420G37.3Very low44Very low79 Ų79108 Ų10881%0.81472%0.717SS**  trans132.755.1175.200000116.4
421V36.3Very low43.7Very low133 Ų133112.4 Ų112.481%0.80673%0.732SS**  trans-105.8148.5165.8-77.10000111
422M37.8Very low43.3Very low186 Ų186115.1 Ų115.192%0.91674%0.744SS**  trans74.5141.5-179.6-59.7-153.9-112.800116.2
423A36Very low42.5Very low77 Ų77113.1 Ų113.164%0.63675%0.746SS**  cis-165.9162-11.500000112.9
424S34.3Very low41.9Very low110 Ų110115.7 Ų115.777%0.76976%0.76SS**  trans70.6163.915580.30000117.3
425H37.5Very low41.3Very low160 Ų160116.1 Ų116.174%0.74177%0.77SS**  cis-1621458.7-149.2-153.5000112.3
426I43.5Very low40.7Very low142 Ų142120.1 Ų120.173%0.72878%0.781SS**  trans55.6157.7163.220.5179000118.6
427N36.3Very low39.9Very low136 Ų136121.2 Ų121.273%0.72778%0.783SS**  cis-149.1170.111.5-158.312.2000114.3
428S41.2Very low39.6Very low95 Ų95122.6 Ų122.666%0.66479%0.785SS**  trans-15146.7165.957.60000119.8
429G37Very low39.3Very low72 Ų72120.3 Ų120.374%0.74279%0.787SS**  cis103.3154.224.100000111.9
430P45.4Very low39Very low130 Ų130117.7 Ų117.784%0.84478%0.779SS**  cis-136.4-170.78.544.2-25.4000117.3
431F39.8Very low39Very low200 Ų200121.9 Ų121.988%0.87778%0.781SS**  trans-76.1-163.6174.8-77-91.9000113.8
432P45Very low39.1Very low123 Ų123122.9 Ų122.980%0.79978%0.78SS**  cis-145.6176.54.941.8-20.8000120.7
433G38.1Very low38.9Very low72 Ų72118.6 Ų118.674%0.74277%0.769SS**  trans97.5155.114700000117.3
434S41.3Very low39Very low125 Ų125120.3 Ų120.387%0.87478%0.776SS**  cis-176.4145.4-17.845.80000106.8
435G37.4Very low39.2Very low72 Ų72120.3 Ų120.374%0.74277%0.773SS**  cis140.7107.72.500000109.9
436D40.4Very low39Very low164 Ų164120.6 Ų120.688%0.87778%0.779SS**  trans-162.1169.9150.4-127.2-30.5000112.1
437S35.6Very low38.5Very low105 Ų105116.7 Ų116.773%0.73477%0.774SS**  trans-142.5-173.1-170.4-71.60000109.6
438P41.6Very low38.5Very low121 Ų121118.1 Ų118.179%0.78678%0.781SS**  cis-138.7-163.15.644.3-24.8000115.6
439A41.4Very low38.1Very low105 Ų105118.1 Ų118.187%0.86878%0.78SS**  trans75.3131.6173.900000117
440G36Very low37.9Very low65 Ų65120.7 Ų120.767%0.6779%0.787SS**  cis175.3137.6-11.100000114.5
441I38Very low37.4Very low167 Ų167118.2 Ų118.286%0.85679%0.785SS**  trans27.8122.2144.241.4172000118.8
442I36.7Very low37Very low153 Ų153112 Ų11279%0.78578%0.778SS**  cis-143.7148.916-63.5-173.4000112.5
443S35.2Very low36.5Very low97 Ų97113.6 Ų113.668%0.67878%0.78SS**  trans-24157160.4-30.70000118.9
444S37.3Very low36.2Very low113 Ų113117.1 Ų117.179%0.7978%0.778SS**  cis60.4171.330.1-58.70000114.2
445P39.5Very low35.8Very low110 Ų110118.5 Ų118.571%0.71478%0.775SS**  cis-114.3-179.8-7.924.31.2000111.3
446L32.6Very low35.5Very low166 Ų166121.5 Ų121.587%0.86977%0.774SS**  44.6142.965.9-39.6171.2000113.5
447G32.8Very low35Very low59 Ų59117.9 Ų117.961%0.60876%0.762SS**  cis165.7-151.42.200000109.7
448L35.4Very low34.9Very low167 Ų167120.4 Ų120.487%0.87477%0.767SS**  trans71.3154.1174.3-67.782.2000117.5
449S33.3Very low34.5Very low94 Ų94123.7 Ų123.766%0.65777%0.772SS**  cis-176.7151.9-35.657.40000111.7
450S33.3Very low34.3Very low127 Ų127124.5 Ų124.589%0.88877%0.768SS**  trans72.7161.7146-156.70000119.6
451G34.2Very low33.9Very low77 Ų77129.8 Ų129.879%0.79478%0.776SS**  trans103.781.1158.800000116.7
452G31.7Very low33.9Very low70 Ų70130.2 Ų130.272%0.72277%0.774SS**  trans-112.3142.8162.600000111.6
453N34.1Very low33.5Very low157 Ų157130.5 Ų130.584%0.8477%0.772SS**  trans-167.8135.8148.7-111.4-17.3000114.9
454M32.1Very low33.6Very low145 Ų145133.4 Ų133.471%0.71478%0.778SS**  trans48.4134.3143.7-54.7-148.282.500123.3
455L32.6Very low33.4Very low154 Ų154133.9 Ų133.981%0.80677%0.772SS**  trans64.3133.5149.9-59.8158.6000116.1
456N31.7Very low32.9Very low135 Ų135133.2 Ų133.272%0.72277%0.77SS**  cis-161.8150.636.4-179.226.3000112.3
457S30.8Very low33Very low88 Ų88132.5 Ų132.562%0.61577%0.766SS**  trans-13.7119.2162.9-35.90000119
458N31.7Very low33.1Very low159 Ų159137.4 Ų137.485%0.8577%0.773SS**  168.8108.8118.2-87.6-25.7000113
459Q34.8Very low33.1Very low190 Ų190138.8 Ų138.889%0.88877%0.772SS**  trans-139.5136.7150.2-82.3-163.4-2.700110.1
460P36.2Very low33.1Very low122 Ų122143.6 Ų143.679%0.79278%0.776SS**  trans-77.2147.9175.732.5-34.4000111.5
461Q28.7Very low33.3Very low176 Ų176142.2 Ų142.282%0.82277%0.772SS**  trans-65135.7177.9-63.2159.6-63.100111.8
462Q36.3Very low33.5Very low176 Ų176141.5 Ų141.582%0.82277%0.765SS**  trans-128.893.1151.5-71.8-163.32.100109.7
463Q29.2Very low33.7Very low159 Ų159144.3 Ų144.374%0.74377%0.771SS**  trans-66.9129.6156.3-67.1175.3-95.400108
464I37.2Very low34.1Very low158 Ų158145.9 Ų145.981%0.8178%0.775SS**  trans-110.1124.5159.2-67-176.2000106.9
465N32.7Very low34.4Very low122 Ų122144.8 Ų144.865%0.65278%0.782SS**  trans-76.7139.4-153.9-72.8-28.7000114.4L467N465-L467 PolarHBondContact O-N 3.13Å
466S29.3Very low34.8Very low96 Ų96143 Ų14367%0.67178%0.782SS**  trans-47.6123.914652.50000110.4Q468S466-Q468 VanDerWaalsContact C-N 3.26Å; S466-Q468 PolarHBondContact O-N 2.83Å
467L34.8Very low35.1Very low151 Ų151140.5 Ų140.579%0.79179%0.788SS**  trans-73.871.7-179.3-78.7167.8000112.5N465 F469N465-L467 PolarHBondContact O-N 3.13Å; L467-F469 HydrophobicContact CB-CE2 4.46Å; L467-F469 PolarHBondContact O-N 2.97Å; L467-F469 VanDerWaalsContact O-N 3.17Å
468Q34.3Very low35.3Very low163 Ų163139.9 Ų139.976%0.76280%0.796SS**  trans-70.3105.4164.6-75.3-160.7-0.300110.1S466 R470S466-Q468 VanDerWaalsContact C-N 3.26Å; S466-Q468 PolarHBondContact O-N 2.83Å; Q468-R470 PolarHBondContact O-N 3.41Å
469F36.7Very low36.1Very low195 Ų195138 Ų13886%0.85579%0.792SS**  trans-7178168.8-82.9-89.9000111.2L467 A471L467-F469 HydrophobicContact CB-CE2 4.46Å; L467-F469 PolarHBondContact O-N 2.97Å; L467-F469 VanDerWaalsContact O-N 3.17Å; F469-A471 PolarHBondContact O-N 3.03Å
470R33.3Very low36.4Very low196 Ų196135.6 Ų135.674%0.7479%0.786SS**  trans-92.283.4169.9-175.2174175.4159.3-2.7110.3Q468Q468-R470 PolarHBondContact O-N 3.41Å
471A36.9Very low36.6Very low97 Ų97137 Ų13780%0.80278%0.781SS**  trans-63.2137.6161.500000109.8F469F469-A471 PolarHBondContact O-N 3.03Å
472G37.4Very low37.1Very low62 Ų62133 Ų13364%0.63977%0.773SS**  trans-143.5131.5174.100000109.1
473P36.6Very low37.5Very low130 Ų130133 Ų13384%0.84478%0.775SS**  trans-82.8142-171.632.6-34.7000112.1
474M42.9Very low38.3Very low189 Ų189130.1 Ų130.193%0.93177%0.77SS**  trans-127.7130163.6-60.6-119.97200107.5
475S37.2Very low38.6Very low122 Ų122130 Ų13085%0.85377%0.766SS**  trans-139.3116.2-171.3-169.60000112.6
476S41.1Very low38.8Very low117 Ų117132.5 Ų132.582%0.81877%0.774SS**  trans176.1125.9167.151.70000105
477G37.7Very low39.3Very low83 Ų83131.2 Ų131.286%0.85678%0.776SS**  94.712656.300000108.2
478G36.7Very low39.3Very low75 Ų75130.1 Ų130.177%0.77378%0.775SS**  cis-155.3-161.58.200000113.4
479P48.5Very low39.6Very low118 Ų118131.7 Ų131.777%0.76678%0.779SS**  trans-107.2164.4-153.339.9-36.9000116.3
480N40.2Very low40Very low141 Ų141128 Ų12875%0.75478%0.775SS**  trans171.9150.9151.5-94.6-30000109.7
481Q41.5Very low40.2Very low150 Ų150122.2 Ų122.270%0.70178%0.777SS**  cis-160.9154.1-4.6-141.916790.600110.6
482S39.5Very low40.2Very low92 Ų92124.5 Ų124.564%0.64378%0.775SS**  trans34.9148.4145.658.50000123.6
483M43.8Very low40.2Very low176 Ų176128.1 Ų128.187%0.86778%0.779SS**  cis-166.3168.9-4.4-100.5-77-84.700108.9
484P45.9Very low40.3Very low99 Ų99127.6 Ų127.664%0.64377%0.774SS**  trans-113.1175.2-171.142.3-34.3000115.5
485H42.7Very low40Very low155 Ų155123 Ų12372%0.71876%0.76SS**  trans-164.5144.5143-127.2-113.2000114.5
486E37.9Very low40.2Very low176 Ų176124.1 Ų124.182%0.82276%0.756SS**  trans40.1158.8149.5-76.4172.6158.900123.8
487G39.2Very low40.1Very low69 Ų69125.5 Ų125.571%0.71175%0.749SS**  cis-159-168.69.200000114.6
488V35.8Very low40.1Very low127 Ų127127.9 Ų127.977%0.7774%0.738SS**  trans-125.2153.9-160.7-179.10000112
489F39.5Very low40.2Very low196 Ų196130.6 Ų130.686%0.8674%0.735SS**  161.6156.3128.3-97.2-92.5000113.8
490P46Very low39.8Very low119 Ų119133.3 Ų133.377%0.77374%0.737SS**  trans-128.5-179.8-16443.3-27.8000116.6
491G38Very low39.7Very low74 Ų74131.8 Ų131.876%0.76374%0.735SS**  trans142.3163.1166.300000114
492N36.8Very low39.8Very low145 Ų145130.7 Ų130.778%0.77574%0.738SS**  cis-168.1165.9-10.1-164.56.5000110.5
493L36.7Very low40.2Very low137 Ų137132.3 Ų132.372%0.71775%0.746SS**  trans70150165.2-50.9178.3000117.1
494T38.1Very low40.2Very low120 Ų120132 Ų13274%0.73675%0.745SS**  cis-173.6165.5-5.624.10000107.6
495S37.8Very low41Very low91 Ų91132.4 Ų132.464%0.63675%0.748SS**  cis-174.4178.7-14.950.70000109.9
496L40.3Very low41.2Very low146 Ų146131.1 Ų131.176%0.76475%0.753SS**  trans70139.3168.7-51.9170.3000116.4
497Q39.2Very low41Very low147 Ų147128.2 Ų128.269%0.68775%0.752SS**  cis-167166.9-4.9-100.9173.1-79.100107.1
498Q39.2Very low41.1Very low133 Ų133133.7 Ų133.762%0.62176%0.759SS**  cis-176.8141.5-19.5164.4178.6-11.400111.2
499N38.4Very low41.1Very low131 Ų131131.8 Ų131.870%0.70175%0.752SS**  trans66.5154.6163-732.8000119.7
500Q39.1Very low40.7Very low176 Ų176131.2 Ų131.282%0.82275%0.749SS**  cis-141.4173.21.2-113.1-127.52.900111.3
501P39Very low40.2Very low109 Ų109136.8 Ų136.871%0.70876%0.757SS**  trans-115.1-175.9-15343.3-35.3000119
502V43.5Very low39.9Very low127 Ų127138.7 Ų138.777%0.7776%0.758SS**  trans-88.2171.4-174.5-144.50000113.9
503P47.2Very low39.8Very low125 Ų125137.6 Ų137.681%0.81276%0.762SS**  -143.3168.1115.838.9-25.6000116.7
504M43.4Very low39.7Very low170 Ų170136.3 Ų136.384%0.83776%0.764SS**  trans-115155.5-179.8-90.8-88.5-67.300112.6
505P63Low39.6Very low107 Ų107135.3 Ų135.370%0.69577%0.768SS**  trans-106.4165.815735.2-25.3000113.3
506P47.5Very low39.8Very low128 Ų128137.1 Ų137.183%0.83178%0.777SS**  trans-108.1178.4-155.641.3-36.9000116.7
507S33.7Very low39.3Very low116 Ų116137.3 Ų137.381%0.81178%0.78SS**  trans-95.6142.4-17443.90000115.7
508Q40.8Very low39.2Very low183 Ų183142 Ų14286%0.85579%0.791SS**  trans-157.9153.3161.6-87.4-149.356.300109.8
509S35.4Very low38.7Very low87 Ų87142.3 Ų142.361%0.60880%0.797SS**  cis-152.5-95.1-16.549.40000111.1
510F32.1Very low38.7Very low185 Ų185143.6 Ų143.681%0.81180%0.803SS**  trans-145.8150.5179.7-73.6-98000111.6
511Y35.1Very low38.6Very low236 Ų236142.7 Ų142.793%0.92580%0.798SS**  -179153.9115-91.4-61.1000111
512S31.7Very low38.6Very low114 Ų114146.5 Ų146.580%0.79781%0.806SS**  trans-106146.7175.4-63.10000111.3
513S34.2Very low38.2Very low122 Ų122147.6 Ų147.685%0.85380%0.803SS**  trans-170.9156.2142.932.70000113.9
514S34.8Very low37.7Very low110 Ų110145.4 Ų145.477%0.76979%0.79SS**  trans-39.7148.3174.948.90000118.4
515A36.1Very low37.3Very low98 Ų98144.6 Ų144.681%0.8178%0.784SS**  trans-68.5151165.800000113.5
516P41.6Very low36.1Very low129 Ų129146.6 Ų146.684%0.83879%0.786SS**  trans-106143.1160.636.1-28.3000112.3
517N31.4Very low35.6Very low151 Ų151149.6 Ų149.681%0.80779%0.792SS**  trans-107.2124.8173.3174.2-3.5000109.4
518R36.8Very low35.6Very low245 Ų245147.2 Ų147.293%0.92579%0.785SS**  trans-163.1138159-116.7167.2-169.5-169.41.2115
519N28.7Very low35.4Very low140 Ų140147.1 Ų147.175%0.74979%0.785SS**  trans-63.7155.7167.4-75-78.1000112.8
520L37.7Very low35.3Very low158 Ų158150.6 Ų150.683%0.82779%0.791SS**  trans-153.2117.4131.7-137.369.7000114.2
521H35.9Very low35.3Very low156 Ų156149.1 Ų149.172%0.72279%0.785SS**  trans13.7131.4147.3-58.588.1000122.1
522H39.9Very low35.1Very low189 Ų189144.7 Ų144.788%0.87577%0.774SS**  176.1161.2119.9-106.5-96.3000109.1
523H34.9Very low35.6Very low150 Ų150143.9 Ų143.969%0.69477%0.766SS**  -172.3125.1-56.2164.586.1000107.7
524S36.3Very low35.6Very low79 Ų79143.9 Ų143.955%0.55276%0.761SS**  trans65.8158.4168.5-66.20000117.1
525Q35.2Very low35.6Very low153 Ų153149 Ų14972%0.71577%0.769SS**  cis-160.1155.4-11.1-121.2175.1-21.500112.7
526M37.9Very low35.7Very low150 Ų150149.9 Ų149.974%0.73977%0.765SS**  trans71.1145.2151.5-68.4-172.6-74.900122.5
527M37.7Very low35.3Very low191 Ų191153.7 Ų153.794%0.94177%0.769SS**  trans64.1143.2172.8-49.7-159.6-159.200118
528G34.2Very low35.5Very low65 Ų65150.8 Ų150.867%0.6777%0.765SS**  cis164.8126.6-12.600000114.5
529Q35.4Very low35.2Very low181 Ų181146.8 Ų146.885%0.84676%0.757SS**  trans67.4139.5178.8-50.4-171.791.400114.5
530Q32.9Very low35.5Very low161 Ų161147.3 Ų147.375%0.75276%0.757SS**  cis74.6155.223.8-71.8-159.1-27.100117.7
531F32.8Very low35.4Very low153 Ų153145.6 Ų145.667%0.67176%0.758SS**  trans78.6142.5173.2-63.7-97.4000117.5
532M31.9Very low35.5Very low144 Ų144142.2 Ų142.271%0.70976%0.758SS**  cis-166.8169.7-27.7-109.4-47.1149.200107.4
533P41.3Very low35.4Very low97 Ų97138.9 Ų138.963%0.6376%0.756SS**  trans-88.5-177.1172.639.8-35000112.1
534V34.6Very low35.3Very low121 Ų121138.2 Ų138.273%0.73376%0.757SS**  trans61.5110.6167.3-173.40000116.4T536V534-T536 PolarHBondContact O-N 2.69Å
535F33.8Very low35.4Very low217 Ų217140.8 Ų140.895%0.95276%0.762SS**  trans-70.585.5164.1-90.6-92.6000111.5
536T38.2Very low35.5Very low118 Ų118140.4 Ų140.472%0.72476%0.764SS**  trans-156.788.6154.7-8.50000113.7V534V534-T536 PolarHBondContact O-N 2.69Å
537K33.8Very low35.2Very low208 Ų208140.3 Ų140.390%0.90477%0.766SS**  trans5.4125.3154.8-167.8175.6-176.61790119.7
538A34.6Very low35.1Very low90 Ų90142.5 Ų142.574%0.74476%0.764SS**  trans75.6153.4163.500000117.8
539Q31.4Very low35.1Very low161 Ų161142.2 Ų142.275%0.75276%0.762SS**  cis-172154.2-30.7-172.5-174.8-25.700106.7
540M35.9Very low35.2Very low152 Ų152141.4 Ų141.475%0.74976%0.763SS**  trans74.7122.3175.4-43.8-174.1-170.400113.3
541S34.9Very low35.1Very low121 Ų121141.8 Ų141.885%0.84676%0.764SS**  75.7129.856.6-60.50000113.6
542A37.5Very low35.3Very low86 Ų86145.6 Ų145.671%0.71178%0.776SS**  cis-166.4172.4-4.500000111.8
543S37.3Very low35.5Very low119 Ų119147 Ų14783%0.83278%0.783SS**  trans68.4157.3155.7-64.10000119.9
544N34.1Very low35.7Very low135 Ų135147.5 Ų147.572%0.72279%0.786SS**  cis-170.6174-32-159.5-5000109
545M37.4Very low35.8Very low134 Ų134148 Ų14866%0.6680%0.795SS**  trans110.1117160.7-59.9-76.293.900120.9
546L37.1Very low36Very low144 Ų144141.3 Ų141.375%0.75479%0.787SS**  trans41.7127.5134.1-54.2171.6000120.8
547N33Very low35.9Very low148 Ų148144.3 Ų144.379%0.79180%0.799SS**  cis93.899.623-168.733.5000117.7
548R35.1Very low36.2Very low237 Ų237137.9 Ų137.989%0.89479%0.792SS**  trans177.9141.8151.1-105.9176.3172.6177.2-3.7108.1
549G34.5Very low36.5Very low60 Ų60141.3 Ų141.362%0.61980%0.797SS**  cis111.1102.6-9.400000114.5
550D36.1Very low36.9Very low164 Ų164137.7 Ų137.788%0.87780%0.795SS**  trans-164.2160.8151.6-109-40.9000112.5
551H32.9Very low37.2Very low168 Ų168138 Ų13878%0.77880%0.797SS**  trans-114.6167-174-65-87.6000113
552Y35.7Very low37.6Very low233 Ų233140.3 Ų140.391%0.91479%0.794SS**  trans-159.6165.7132.3-105.4-69.2000111.6
553M36.2Very low37.5Very low174 Ų174142.8 Ų142.886%0.85779%0.791SS**  trans-135.6164.1-167.3-88.7-80.1147.100112.8
554P45.6Very low37.7Very low107 Ų107143 Ų14370%0.69579%0.789SS**  trans-107.4169.9-155.441-38.5000116.6
555S36.6Very low37.8Very low133 Ų133141.5 Ų141.593%0.9379%0.785SS**  trans-173.7149.5147.3-820000112.1
556G38.9Very low37.9Very low76 Ų76145 Ų14578%0.78479%0.791SS**  trans156.1119.316800000115.2
557N35.5Very low37.9Very low180 Ų180143 Ų14396%0.96379%0.789SS**  trans-89.6155.9174.9-72.42.6000111.9
558G40.8Very low38.1Very low73 Ų73141 Ų14175%0.75379%0.787SS**  trans-169.7129.3168.800000113
559D39.3Very low38.1Very low162 Ų162135.2 Ų135.287%0.86678%0.782SS**  trans-70.6150.7-161.6-72.5-92.5000119.7
560A40.9Very low38.1Very low85 Ų85137.2 Ų137.270%0.70279%0.793SS**  trans49122.7137.600000122.4
561M42.7Very low38.3Very low159 Ų159135.1 Ų135.178%0.78379%0.791SS**  -177.6149.1100.7-97-68.2-113.100114.2
562H41.6Very low38.4Very low169 Ų169132 Ų13278%0.78279%0.788SS**  trans55117.6166.2-83-72.4000122.6
563Q37.1Very low38.6Very low138 Ų138129.3 Ų129.365%0.64579%0.789SS**  trans-103172.5163.1-147-158.372.700109.2T565Q563-T565 PolarHBondContact OE1-OG1 2.68Å
564P39.8Very low38.8Very low124 Ų124126.7 Ų126.781%0.80578%0.782SS**  -144.3150.178.237-19.5000116.6
565T37.6Very low38.4Very low103 Ų103129.8 Ų129.863%0.63279%0.793SS**  trans-69.3159.6174.544.40000115.3Q563Q563-T565 PolarHBondContact OE1-OG1 2.68Å
566R38.7Very low38.4Very low209 Ų209126.2 Ų126.279%0.78978%0.777SS**  trans-122.8144.4149.5-83.4-174.2151.6-132.4-12.6110.3
567S36.6Very low38.2Very low102 Ų102128.6 Ų128.671%0.71378%0.777SS**  trans-136.2-180-171.361.70000111.4
568S38.5Very low38.2Very low106 Ų106128 Ų12874%0.74177%0.774SS**  trans79.1128.9166.6-52.20000116.1
569S35.6Very low37.8Very low114 Ų114128 Ų12880%0.79777%0.774SS**  cis-154.7131.5-9.6-77.40000110.6
570A33.6Very low37.7Very low102 Ų102128.2 Ų128.284%0.84377%0.774SS**  trans-94.1123.4160.500000108.9S572A570-S572 PolarHBondContact O-N 2.67Å
571S39.4Very low37.3Very low121 Ų121129 Ų12985%0.84677%0.774SS**  trans-96.483.4177.957.60000110.7L573S571-L573 PolarHBondContact O-N 2.72Å
572S36.3Very low36.7Very low102 Ų102124.9 Ų124.971%0.71377%0.772SS**  trans-69.1119.9167.352.60000110.3A570A570-S572 PolarHBondContact O-N 2.67Å
573L39.2Very low36.5Very low176 Ų176126.8 Ų126.892%0.92178%0.779SS**  trans-105107.7161.7-114167.4000107.1S571S571-L573 PolarHBondContact O-N 2.72Å
574V40.2Very low36.5Very low120 Ų120125.3 Ų125.373%0.72778%0.781SS**  trans-127.6153.8176.9-710000110.7
575D37.7Very low36.1Very low171 Ų171128.4 Ų128.491%0.91478%0.784SS**  trans82.5143.3166.7-139.6-15.3000118
576G35.8Very low35.9Very low58 Ų58129.8 Ų129.860%0.59880%0.797SS**  trans138.762-175.100000117.2
577T35.8Very low35.6Very low127 Ų127124.3 Ų124.378%0.77980%0.796SS**  trans61.1111.6149.9610000121.9
578N34.1Very low35.5Very low168 Ų168124.5 Ų124.590%0.89880%0.798SS**  34.6117.3127.7-60.7-10.1000121.8
579G32.9Very low35.8Very low73 Ų73125.8 Ų125.875%0.75380%0.803SS**  125.8152.911900000119.6
580L37.2Very low35.9Very low166 Ų166125.1 Ų125.187%0.86980%0.799SS**  trans66.588.5158.5-57.7178.7000119.5
581S33.8Very low36Very low101 Ų101128.2 Ų128.271%0.70680%0.8SS**  45.9106.1122.162.40000120.6
582G29.8Very low36.2Very low72 Ų72130.6 Ų130.674%0.74280%0.803SS**  70.7112.9119.900000119.9
583F36.1Very low36.2Very low209 Ų209131.5 Ų131.592%0.91781%0.806SS**  trans-128.1140.8154.8-85.1-85.4000110.7
584P37Very low36.1Very low107 Ų107129.1 Ų129.170%0.69580%0.804SS**  trans-91.1171.9-173.937.3-37.2000113.7
585H31.6Very low36.3Very low189 Ų189134.6 Ų134.688%0.87581%0.812SS**  trans7.3109.7159.4-77.2-87.7000118.4
586C33.1Very low36.6Very low133 Ų133131.6 Ų131.690%0.89980%0.801SS**PPolyproline II helixtrans-88.2123.1147-65.40000109.1
587A34.1Very low36.9Very low93 Ų93135 Ų13577%0.76981%0.813SS**PPolyproline II helixtrans-80.5154.7179.100000112.4
588S33Very low37.2Very low107 Ų107133.4 Ų133.475%0.74881%0.813SS**PPolyproline II helixtrans-65.7129.2176.8-53.70000112.2S590S588-S590 PolarHBondContact O-N 2.81Å; S588-S590 VanDerWaalsContact O-N 3.13Å
589P46.5Very low37.3Very low132 Ų132136.5 Ų136.586%0.85781%0.812SS**  trans-80.788.4167.632.3-32000110.1
590S35.9Very low37.6Very low100 Ų100142.8 Ų142.870%0.69982%0.819SS**  trans-72.1140.7168.9-63.90000111S588S588-S590 PolarHBondContact O-N 2.81Å; S588-S590 VanDerWaalsContact O-N 3.13Å
591L37.5Very low37.9Very low168 Ų168140.3 Ų140.388%0.8881%0.811SS**  trans61.9103.3165.3-56170.6000117.1
592L42.3Very low38.6Very low171 Ų171141 Ų14190%0.89581%0.813SS**  trans-130.7144.3151.1-78177.8000110.2
593P36.9Very low39.3Very low121 Ų121143.7 Ų143.779%0.78682%0.817SS**  trans-73.8153.8-174.4-1732.2000114.1
594S36.7Very low39.6Very low126 Ų126139.3 Ų139.388%0.88181%0.812SS**  trans-60.9130175.850.90000113.2
595R43.8Very low40.1Very low234 Ų234142.1 Ų142.188%0.88382%0.821SS**  trans-110.7135.1169.5-171.4-179.6-176.5-172.31.7109.6
596P44.1Very low40.6Very low108 Ų108138.9 Ų138.970%0.70182%0.816SS**PPolyproline II helixtrans-67157.4-179.727.5-35.5000112.5
597P42.7Very low41.3Very low129 Ų129140.6 Ų140.684%0.83882%0.817SS**PPolyproline II helixtrans-67.1133.4-174.327.1-34.9000112.4R599P597-R599 PolarHBondContact O-N 3.06Å
598A41.8Very low41.3Very low94 Ų94139.4 Ų139.478%0.77781%0.813SS**PPolyproline II helixtrans-76.9117175.400000110.7F600A598-F600 PolarHBondContact O-N 3.38Å
599R37.2Very low41.7Very low234 Ų234143.1 Ų143.188%0.88382%0.824SS**  trans-63.8114.1177.8-164.1179.4-158.6163.46.3110.2P597 T601P597-R599 PolarHBondContact O-N 3.06Å; R599-T601 PolarHBondContact O-N 2.66Å
600F39.4Very low41.2Very low205 Ų205140 Ų14090%0.89982%0.816SS**PPolyproline II helixtrans-73.5119.3173.2-112.7-90.3000110A598A598-F600 PolarHBondContact O-N 3.38Å
601T43.2Very low41.2Very low113 Ų113141 Ų14169%0.69382%0.823SS**PPolyproline II helixtrans-101.613616744.20000109.8R599R599-T601 PolarHBondContact O-N 2.66Å
602P47.1Very low41.2Very low116 Ų116137.3 Ų137.375%0.75381%0.811SS**PPolyproline II helixtrans-73.6150.7175.430.8-34.3000111
603P45.7Very low40.7Very low128 Ų128135.5 Ų135.583%0.83181%0.807SS**PPolyproline II helixtrans-74.7127.4179.630-33.8000111.5
604S42.8Very low40.7Very low117 Ų117136 Ų13682%0.81881%0.808SS**PPolyproline II helixtrans-77.4141.5170.843.60000111.7
605L46.8Very low40.5Very low167 Ų167134.6 Ų134.687%0.87480%0.798SS**PPolyproline II helixtrans-74.3134.7178.8-72.2163.9000111.4N607L605-N607 PolarHBondContact O-N 3.43Å
606P42.8Very low40Very low120 Ų120128.1 Ų128.178%0.77979%0.789SS**  trans-86.3105.2174.732.7-31.9000111.6
607N46.3Very low39.7Very low169 Ų169131.7 Ų131.790%0.90480%0.796SS**  trans-92114.6155.4-93.1-0.9000108.1L605L605-N607 PolarHBondContact O-N 3.43Å
608G36Very low39.3Very low68 Ų68133.6 Ų133.670%0.70179%0.794SS**  trans-97.3163.1175.800000112.8
609L40.1Very low39.1Very low185 Ų185134.5 Ų134.597%0.96979%0.794SS**  trans-177.9130.2142.6-101.8164.9000111.6
610G36.6Very low39Very low68 Ų68128 Ų12870%0.70179%0.785SS**  trans92.6115.6149.800000120.2
611S36.6Very low38.7Very low119 Ų119126.7 Ų126.783%0.83278%0.779SS**  trans53.5146.9137.6-98.70000123.1
612S35.8Very low38.4Very low91 Ų91129 Ų12964%0.63678%0.784SS**  cis-175.9122.5-19.539.10000112.8
613V33.2Very low37.9Very low133 Ų133131.9 Ų131.981%0.80679%0.789SS**  trans62.5158142-161.30000119.8
614V35.9Very low37.8Very low132 Ų132131.3 Ų131.380%0.879%0.785SS**  trans84.5134.2166.2-166.70000117.1
615S33.1Very low37.4Very low96 Ų96132 Ų13267%0.67178%0.78SS**  cis-168.6149.5-34.5-95.30000111.6
616S33.6Very low36.7Very low99 Ų99131.5 Ų131.569%0.69277%0.773SS**  trans47.4119.914566.90000122.9
617Q37.5Very low36.3Very low182 Ų182131.2 Ų131.285%0.8577%0.769SS**  152.5160.9119.1-83.9-178.858.700112
618Q33.5Very low35.7Very low170 Ų170132 Ų13279%0.79477%0.77SS**  -175.8114.2-51.6171.9177.887.100109.2
619S37.8Very low35.5Very low113 Ų113132 Ų13279%0.7977%0.769SS**  trans-178.7127.615511.50000107.4
620S34.7Very low35.1Very low98 Ų98129.3 Ų129.369%0.68577%0.766SS**  78.2128.454.7-64.20000112.3
621F34.8Very low35.1Very low177 Ų177130.2 Ų130.278%0.77678%0.775SS**  cis-147.4157.415.1-107.3-68.3000113.4
622M36.9Very low35.1Very low160 Ų160128.1 Ų128.179%0.78877%0.772SS**  trans43.1130.8155.4-74.5150.1167.500121.1
623M35.2Very low35.2Very low178 Ų178130.1 Ų130.188%0.87778%0.781SS**  cis87.4148.238.2-67.8-63.7-150.700115.8
624P43.9Very low35.4Very low115 Ų115132 Ų13275%0.74778%0.781SS**  trans-132.1-164.4-145.744.4-27.3000115.7
625N34.6Very low35.6Very low131 Ų131134 Ų13470%0.70178%0.783SS**  trans116.3148.9144.8-151.329.2000117.5
626E32.8Very low35.9Very low158 Ų158133 Ų13374%0.73879%0.789SS**  trans69.5155.3161.6-49.8-127.7157.300117.2
627V33.3Very low36Very low114 Ų114135.5 Ų135.569%0.69179%0.789SS**  cis175.6154-28.6135.70000104.7
628M34.5Very low36.2Very low186 Ų186133.5 Ų133.592%0.91679%0.789SS**  trans78.8148.2167.4-156.5172.6-62.700118.7
629G31Very low36.4Very low67 Ų67128.8 Ų128.869%0.69178%0.775SS**  trans132.863.115400000121.6
630S31.5Very low36.6Very low129 Ų129130 Ų13090%0.90278%0.777SS**  trans25.5130.8140-49.70000124.3
631G36.9Very low36.8Very low87 Ų87131.1 Ų131.190%0.89778%0.782SS**  trans121.7145.4145.200000117.5
632G35.7Very low37Very low74 Ų74125.5 Ų125.576%0.76377%0.774SS**  cis149.297.4-1900000117.9
633T38.5Very low37Very low133 Ų133124.4 Ų124.482%0.81678%0.777SS**  trans-163.4123.3161.919.50000108.4
634Q36.8Very low37.4Very low173 Ų173121 Ų12181%0.80877%0.768SS**  56.2133.577.5-63.4-157.687.700114.1
635M39.9Very low36.9Very low173 Ų173122.9 Ų122.985%0.85277%0.771SS**  cis-132.3174.119.6-57.6-87-96.200110.5
636G40.6Very low37.1Very low76 Ų76123.3 Ų123.378%0.78478%0.778SS**  cis-164.3-173.65.800000111.6
637H36.1Very low37.3Very low151 Ų151121 Ų12170%0.69978%0.78SS**  trans-130.9148.4-151.3138.8-64.3000116.7S639H637-S639 PolarHBondContact CD2-OG 2.76Å; H637-S639 PolarHBondContact NE2-OG 3.08Å
638V40.6Very low37.6Very low140 Ų140120.5 Ų120.585%0.84878%0.779SS**  trans-142.4133.2147-173.80000109.2
639S37.6Very low37.7Very low72 Ų72118.6 Ų118.650%0.50377%0.772SS.*  trans-96.2-172.2178-68.60000111.4H637H637-S639 PolarHBondContact CD2-OG 2.76Å; H637-S639 PolarHBondContact NE2-OG 3.08Å
640V43.4Very low37.7Very low137 Ų137120.8 Ų120.883%0.8377%0.772SS**  cis-159.8-17237.4-133.80000111.1
641P39Very low37.6Very low122 Ų122120.4 Ų120.479%0.79277%0.769SS**  -134.1-176.4-116.946.8-28.5000118.4
642G37.2Very low37.6Very low60 Ų60121.6 Ų121.662%0.61976%0.764SS**  trans86.9124.1149.300000117.4
643T37.6Very low37.4Very low137 Ų137123.3 Ų123.384%0.8476%0.764SS**  74.2143.555.565.50000115.7
644P42.8Very low37.2Very low105 Ų105127.5 Ų127.568%0.68277%0.771SS**  cis-146.8-170.5-29.341.4-22.7000115.4
645L34.7Very low37.1Very low155 Ų155123.3 Ų123.381%0.81277%0.767SS**  trans78.8158.2153.6-69172.2000122.3
646T37.7Very low37.1Very low140 Ų140124.1 Ų124.186%0.85977%0.771SS**  trans93.2151.6165.170.50000119.6
647S37Very low36.8Very low111 Ų111127.9 Ų127.978%0.77677%0.773SS**  trans-117-152.9-169.7-43.50000108.8
648P39.9Very low36.8Very low103 Ų103129.2 Ų129.267%0.66978%0.781SS**  cis-138.9-154.6-10.826.32000113.4
649L36.6Very low36.8Very low145 Ų145131.2 Ų131.276%0.75978%0.784SS**  trans75.1144.2160.3-46.6-177.4000116.5
650T31Very low36.7Very low114 Ų114134.7 Ų134.770%0.69980%0.797SS**  cis85.210721.575.80000118.1
651S30.7Very low36.5Very low121 Ų121135.8 Ų135.885%0.84680%0.798SS**  trans68.9101.5145.5-54.80000121.7
652S35.1Very low36.4Very low111 Ų111137 Ų13778%0.77679%0.793SS**  trans-169.6127.6143.843.80000107.3
653S31.8Very low36.4Very low111 Ų111141.5 Ų141.578%0.77680%0.803SS**  67.793.856.1-163.90000112.7A655S653-A655 PolarHBondContact O-N 3.19Å
654F35.8Very low36.4Very low220 Ų220140.2 Ų140.297%0.96580%0.795SS**  trans-82.993.3172-78.5-77.9000110.7
655A34.6Very low36.3Very low86 Ų86142.2 Ų142.271%0.71180%0.799SS**  trans-116.2133.9153.800000107.4S653S653-A655 PolarHBondContact O-N 3.19Å
656M39.7Very low36.5Very low190 Ų190142.7 Ų142.794%0.93680%0.796SS**  trans-109.7125.1168.6-98.1-72.5179.700107.3
657D34.9Very low36.5Very low155 Ų155141.3 Ų141.383%0.82979%0.792SS**  trans-65.6150.1-172.6-95.5-69.7000113.6
658M34.5Very low36.6Very low179 Ų179140.8 Ų140.888%0.88280%0.795SS**  trans-80.7132.1158.8-72.9-171.2175.200108.8
659M40.6Very low36.5Very low182 Ų182142 Ų14290%0.89780%0.802SS**  trans-126.3107170.8-157.271.6134.700108.7
660D36.4Very low36.5Very low145 Ų145141.1 Ų141.178%0.77581%0.809SS**  trans-59.2137176.2-91.9-88000112.2
661N37.9Very low36.7Very low159 Ų159142.2 Ų142.285%0.8582%0.816SS**  trans-154.8153.6133.1-141.6-21000112.7
662Q38.3Very low37Very low149 Ų149145 Ų14570%0.69682%0.82SS**  trans-102.4136-169.4-57.9178.89.400112.9
663N36.1Very low37Very low154 Ų154147.2 Ų147.282%0.82482%0.822SS**  trans178.8122.9134.3-88.9-40000107.7
664V38.7Very low36.8Very low110 Ų110146.9 Ų146.967%0.66782%0.819SS**  cis74.579.747.8-175.30000112.6
665L40Very low36.7Very low147 Ų147142.7 Ų142.777%0.7781%0.812SS**  178.5154119.5-94.8162.8000115.1
666H39.9Very low36.7Very low164 Ų164144.8 Ų144.876%0.75982%0.816SS**  trans-39151.8179.9-45.6147.5000117.2
667S36.8Very low36.4Very low111 Ų111143.3 Ų143.378%0.77681%0.81SS**  -179.6138.371.4-63.70000115.2
668A39.9Very low36.4Very low100 Ų100144.6 Ų144.683%0.82681%0.808SS**  trans59.3152.1150.200000121.7
669P37.8Very low36.4Very low128 Ų128141.7 Ų141.783%0.83181%0.805SS**  trans-109.2159.8-172.140.7-33.4000115.4
670S36.9Very low36.2Very low127 Ų127139.7 Ų139.789%0.88880%0.799SS**  trans-118.9127.4163.6-72.70000110.8
671T35.4Very low36.2Very low138 Ų138140.4 Ų140.485%0.84780%0.803SS**  trans-72.9134.3176.142.60000112.5
672L35.2Very low36Very low179 Ų179138.4 Ų138.494%0.93780%0.801SS**  trans-129151.5157.4-91.7171.4000110.6
673I35.4Very low35.8Very low158 Ų158137.2 Ų137.281%0.8181%0.806SS**  trans-97148-158.9-66.9168.6000111.7
674S29.2Very low35.7Very low104 Ų104137 Ų13773%0.72780%0.802SS**  trans-68.2139.7-179-45.50000113.9
675T32.3Very low35.5Very low131 Ų131140.2 Ų140.280%0.80481%0.814SS**  trans-12985.8163.342.90000110.9I677T675-I677 PolarHBondContact O-N 2.72Å
676T34.2Very low35.1Very low131 Ų131142.9 Ų142.980%0.80482%0.816SS**  trans-83.1103.9172.8-47.50000109.9K678T676-K678 PolarHBondContact O-N 3.34Å; T676-K678 VanDerWaalsContact O-N 3.14Å
677I34.2Very low34.8Very low158 Ų158142.4 Ų142.481%0.8182%0.819SS**  trans-74.7104.9178.8-59.1178.2000109.8T675T675-I677 PolarHBondContact O-N 2.72Å
678K33.8Very low34.7Very low182 Ų182141.2 Ų141.279%0.79181%0.81SS**PPolyproline II helixtrans-83.8123.9155.4-76.2-177.7174-179.10108.6T676T676-K678 PolarHBondContact O-N 3.34Å; T676-K678 VanDerWaalsContact O-N 3.14Å
679S34.5Very low34.5Very low118 Ų118144.4 Ų144.483%0.82581%0.812SS**PPolyproline II helixtrans-74.6129.2160.437.70000109.3
680N36.3Very low34.5Very low141 Ų141142.2 Ų142.275%0.75481%0.812SS**PPolyproline II helixtrans-86.2162.4-177.7-83-29000112.6
681N36.7Very low34.5Very low160 Ų160141.9 Ų141.986%0.85681%0.805SS**PPolyproline II helixtrans-56.6135157.3-74-17.1000110.3
682S33.5Very low34.6Very low117 Ų117140.4 Ų140.482%0.81880%0.801SS**PPolyproline II helixtrans-91.5130.9163-67.80000109.8
683P35.2Very low34.7Very low124 Ų124137.1 Ų137.181%0.80579%0.792SS**  trans-84.8-179.6-176.935.4-37000113.4
684M33.4Very low34.8Very low148 Ų148135 Ų13573%0.72979%0.791SS**  trans-59.5155.9-178.2-60.2-147.57500115.4Y686M684-Y686 HydrophobicContact CE-CD2 3.92Å; M684-Y686 HydrophobicContact CE-CE2 4.49Å
685L34.9Very low35.2Very low178 Ų178133.5 Ų133.593%0.93279%0.791SS**  trans-124.1132.6146.6-77.1174.5000109.3
686Y31.1Very low35.5Very low203 Ų203134.2 Ų134.280%0.79679%0.79SS**  trans-140.5112179.2-143.6-76.1000107.9M684M684-Y686 HydrophobicContact CE-CD2 3.92Å; M684-Y686 HydrophobicContact CE-CE2 4.49Å
687N34.2Very low35.6Very low154 Ų154136.7 Ų136.782%0.82479%0.793SS**  trans-175.4149176.7-121.15.3000109.4
688S35Very low35.8Very low86 Ų86134 Ų13460%0.60179%0.788SS**  cis-169.6137.6-31.6-105.70000109.5
689I35.8Very low36Very low167 Ų167131.4 Ų131.486%0.85679%0.788SS**  trans52.7121.8149.1-53.4171.5000118.8
690G37.8Very low36.2Very low82 Ų82131.4 Ų131.485%0.84579%0.785SS**  trans-172.587.7172.100000115
691T36.6Very low36.3Very low120 Ų120133.9 Ų133.974%0.73679%0.792SS**  trans-68.5145.9-170.445.60000118.4
692S37Very low36.3Very low108 Ų108131 Ų13176%0.75578%0.784SS**  trans61155.4144.259.60000120.2
693C36.7Very low36.4Very low110 Ų110132.2 Ų132.274%0.74378%0.78SS**  cis-171146.1-13.750.70000107.3
694S38Very low36.4Very low114 Ų114134.9 Ų134.980%0.79778%0.784SS**  158.3150.485.2-800000111.7
695G37.8Very low36.4Very low71 Ų71136.2 Ų136.273%0.73279%0.788SS**  trans76.2143.6163.200000117.2
696N39Very low36.8Very low147 Ų147132.8 Ų132.879%0.78678%0.776SS**  cis-132.2138.5-2-73-19.8000108.4
697Q35.9Very low37.1Very low182 Ų182128.9 Ų128.985%0.8577%0.774SS**  41.1126.493.2-68.4-171.580.100115.3
698S37.9Very low37.5Very low101 Ų101129.7 Ų129.771%0.70678%0.776SS**  cis-161.8-174.1-4.659.30000108.4
699T38.6Very low37.6Very low129 Ų129131 Ų13179%0.79179%0.785SS**  cis-155.7156.48-24.20000108.6
700P38.1Very low37.6Very low117 Ų117126.3 Ų126.376%0.7678%0.778SS**  trans-118.6155.1-17540-29.5000117.1
701E39.5Very low37.7Very low194 Ų194130.7 Ų130.791%0.90778%0.781SS**  trans-152.1168.5165.9-71-166131.800109.9
702S36.1Very low37.6Very low98 Ų98128.3 Ų128.369%0.68578%0.78SS**  -169.2123.6-55.3-123.40000110.3
703I35.7Very low37.6Very low144 Ų144128.8 Ų128.874%0.73878%0.782SS**  trans48.6115.5151.9-32.3172.4000119.6
704M35.3Very low37.4Very low179 Ų179130.5 Ų130.588%0.88278%0.783SS**  175.6137.8114-95.3178.5-85.300114.3
705H33.1Very low37.4Very low176 Ų176130.4 Ų130.482%0.81578%0.778SS**  trans-86.2163.8167.4-89.8-102000111.1
706P44.4Very low37.2Very low107 Ų107133.3 Ų133.370%0.69579%0.787SS**  -122.2138.9127.234.7-30.5000112.4
707T36.8Very low37Very low121 Ų121130.5 Ų130.574%0.74278%0.779SS**  trans-90.6137.8168.6-60.80000109.2
708I41.6Very low36.9Very low170 Ų170127.2 Ų127.287%0.87278%0.783SS**  trans-140.7142.1156.8-148.5167.5000110
709S37.2Very low36.7Very low114 Ų114128 Ų12880%0.79778%0.783SS**  trans-99.8141.2-167.3-52.50000112.2
710G36.8Very low36.7Very low69 Ų69131 Ų13171%0.71179%0.79SS**  trans-159.584.7-179.900000113.4
711I39.2Very low36.5Very low174 Ų174131.4 Ų131.489%0.89279%0.786SS**  trans15.5110143.6-43.1174.9000114.1
712G34.7Very low36.9Very low69 Ų69130.1 Ų130.171%0.71179%0.785SS**  70.4126.279.400000111
713C36.4Very low37.1Very low118 Ų118132.3 Ų132.380%0.79779%0.79SS**  cis-161.3175.419.856.90000107.9
714D34Very low37.4Very low146 Ų146133.8 Ų133.878%0.78179%0.793SS**  cis-154.3-1765.5-141.6-41.5000111.1
715V37.5Very low37.8Very low113 Ų113132.6 Ų132.669%0.68579%0.791SS**  trans-122.2132.2173.5175.30000111
716S33Very low38.1Very low131 Ų131131.3 Ų131.392%0.91679%0.789SS**  trans-115.279.3171.6-71.30000111.6
717S35.8Very low37.8Very low89 Ų89135.4 Ų135.462%0.62280%0.796SS**  trans-94.3121.9164.141.30000109.7V719S717-V719 PolarHBondContact O-N 3.48Å
718A33.7Very low37.9Very low113 Ų113137 Ų13793%0.93480%0.797SS**  trans-71.5110.3177.300000110.5
719V33.2Very low37.9Very low117 Ų117135.9 Ų135.971%0.70979%0.791SS**  trans-93.3128.4170.5177.10000108.7S717 N721S717-V719 PolarHBondContact O-N 3.48Å; V719-N721 HydrophobicContact CG1-CB 3.96Å
720M38Very low37.9Very low191 Ų191136.8 Ų136.894%0.94179%0.787SS**  trans-106.7125.2156-80.9179.8162.800107.6
721N35.3Very low38.1Very low126 Ų126138.3 Ų138.367%0.67479%0.786SS**  trans-135109.1-175.1169.296.1000107.8V719V719-N721 HydrophobicContact CG1-CB 3.96Å
722D47.7Very low38.1Very low167 Ų167137.4 Ų137.489%0.89378%0.784SS**  trans-132.4123.5165.6-74.3-64.2000107.5
723N39.1Very low38.3Very low145 Ų145138.1 Ų138.178%0.77579%0.791SS**  trans-154.5169.5178.2-169.929.5000107.3
724E43.6Very low38.7Very low175 Ų175137.2 Ų137.282%0.81879%0.792SS**  trans74137.8-159.2-48.5179.8171.500110.1
725D42.4Very low39.4Very low154 Ų154135.8 Ų135.882%0.82479%0.791SS**  cis-131.9161.526.9-146-25000113.6
726L39.8Very low39.7Very low148 Ų148136.4 Ų136.478%0.77580%0.8SS**  trans-100.1134.2171.9-77.383.6000110.6
727K38.5Very low40.1Very low194 Ų194140.3 Ų140.384%0.84379%0.794SS**  174.7139.4122.4-98.3161.9-177.4165.90117.3
728M38.8Very low40.9Very low154 Ų154142.1 Ų142.176%0.75980%0.804SS**  trans79.5143135.5-67.9-76.6-81.200122
729I40.8Very low41.4Very low147 Ų147141.8 Ų141.875%0.75479%0.791SS**  trans67.197.8162.7-57.6146.7000114.5
730N37.7Very low42.1Very low133 Ų133140.7 Ų140.771%0.71179%0.794SS**  69.1106.553-171.741.9000115.9
731S40.4Very low42.4Very low100 Ų100135.7 Ų135.770%0.69978%0.783SS**  179.1117.5129.5-79.70000113.8
732N40.5Very low42.8Very low156 Ų156138.5 Ų138.583%0.83479%0.792SS**  trans39127.4139.3-55.2-17.7000122.2
733G38.1Very low42.8Very low84 Ų84136 Ų13687%0.86679%0.787SS**  trans172.472.1164.700000116.4
734A44.3Very low43.3Very low98 Ų98141.7 Ų141.781%0.8181%0.812SS**  trans-143.3-179.1176.400000110
735P48.6Very low43.3Very low117 Ų117140 Ų14076%0.7681%0.812SS**  cis-129.1-175.8-20.139-23.4000112.6
736S44.8Very low43.3Very low126 Ų126139.3 Ų139.388%0.88181%0.811SS**  176.4157.7129.844.80000113.4
737R40.8Very low43.5Very low212 Ų212138.8 Ų138.880%0.881%0.813SS**  trans-154.4143.6178.8177.5-171-175.7-155.85.4108.8
738P53.8Low43.8Very low127 Ų127135.5 Ų135.583%0.82581%0.812SS**  trans-118.7168.1153.335.7-26.1000112.8
739T42.2Very low44.2Very low107 Ų107134.4 Ų134.466%0.65682%0.815SS**  trans-140.1132.8-176.747.20000111.9
740A48.2Very low44.4Very low93 Ų93133.5 Ų133.577%0.76982%0.819SS**  trans-152.1139.216500000105.3
741A45.7Very low44.8Very low86 Ų86133.6 Ų133.671%0.71183%0.827SS**  60.2131.866.500000111.9
742E42.5Very low45.2Very low186 Ų186136.2 Ų136.287%0.86984%0.837SS**  cis-150.9-177.413.1-140.1166.1120.400113.4
743S47.8Very low45.6Very low113 Ų113134.5 Ų134.579%0.7984%0.837SS**  trans-63.1139.8-171.2-44.70000116.1
744M50.1Low46.3Very low265 Ų265139.1 Ų139.1100%1.30583%0.834SS**  trans-154.60137.1-128.1179.6-174.800111.1

Retrieved 744 of 744 residues in 171 ms (Link to these results)