A0A087X346_POEFO Loading...

Tubulin polymerization promoting protein

AlphaFold DB , UniProt , Accession A0A087X346, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low40.4Very low256 Ų256154.2 Ų154.2100%1.26184%0.841SS**  0134.30-80.5-175.7-178.800107.9
2G36.9Very low40Very low74 Ų74157.4 Ų157.476%0.76384%0.841SS**  trans111.792.6-167.900000109.8
3A39.1Very low39.8Very low107 Ų107154.3 Ų154.388%0.88484%0.839SS**  62.8131.686.100000111.7
4A44.1Very low39.7Very low81 Ų81151.4 Ų151.467%0.66984%0.835SS**  cis-158.9146.830.500000111
5E41.1Very low39.3Very low176 Ų176152.1 Ų152.182%0.82284%0.838SS**  77.3121.5112.9-83.7-178.1114.900118
6S44.7Very low39Very low115 Ų115151.1 Ų151.180%0.80484%0.838SS**  176.998.8103-162.80000113.2
7T42.6Very low38.7Very low108 Ų108148.4 Ų148.466%0.66383%0.831SS**  trans23.5117.9133.4-44.40000123.4
8R40Very low38.4Very low234 Ų234149.1 Ų149.188%0.88383%0.831SS**  trans31.9136.3133.6-56.1177.9-176-168.10.4121.3
9R38.4Very low38.1Very low253 Ų253146.5 Ų146.596%0.95582%0.824SS**  -170.8156111.8-122.6174.8174.6170.7-2114.3
10T35.8Very low37.9Very low122 Ų122147.6 Ų147.675%0.74882%0.822SS**  trans-109.1164.7-164.1-38.10000112.4
11Q38.1Very low37.7Very low170 Ų170150.5 Ų150.579%0.79483%0.826SS**  trans85.7143158.7-54.4-161.5-21.100115.9
12K36.1Very low37.1Very low193 Ų193145.1 Ų145.184%0.83980%0.803SS**  cis-170.2147.248.6-149.1175.9-174.4-177.50112.1
13S37.7Very low36.9Very low117 Ų117147.8 Ų147.882%0.81881%0.809SS**  trans-77.5153161.6-59.80000111.7
14S37.6Very low36.6Very low113 Ų113149.5 Ų149.579%0.7980%0.804SS**  trans-148115.4161.650.40000111.6
15N33.4Very low36Very low163 Ų163151.2 Ų151.287%0.87281%0.811SS**  trans-77148.4158.1-91.1-15.4000109.8
16T34.9Very low35.3Very low136 Ų136152.2 Ų152.283%0.83481%0.809SS**  trans-143.4129.6157.4-37.30000109.9
17S33.4Very low34.7Very low104 Ų104152.4 Ų152.473%0.72781%0.81SS**  trans-114.5154.8170.7-60.30000109.5
18I33.3Very low34.3Very low161 Ų161153.4 Ų153.483%0.82682%0.816SS**  trans165.3108.1154.5-91.3152.7000106.3
19S33.2Very low34.1Very low101 Ų101151.1 Ų151.171%0.70682%0.818SS**  83.5114.575.8-77.10000116.4
20Q33.7Very low33.8Very low168 Ų168142.9 Ų142.979%0.78581%0.811SS**  trans50.1129143.8-71176.5-67.200122.2
21K33.3Very low33.7Very low208 Ų208143.3 Ų143.390%0.90481%0.809SS**  -159.9132.5128.3-109.7175-175-1790111.8
22D31.1Very low33.5Very low144 Ų144142.9 Ų142.977%0.7781%0.807SS**  trans-68.3149.6176.5-54.7-70.4000113.3
23S33.8Very low33.5Very low129 Ų129142.8 Ų142.890%0.90281%0.806SS**  trans-160.4128133.553.40000111.4
24N31.5Very low33.4Very low144 Ų144144.9 Ų144.977%0.7781%0.809SS**  trans-106.1130-177.9-175.633.1000107
25S32.3Very low33.4Very low116 Ų116145.4 Ų145.481%0.81180%0.802SS**  trans-164.6120.3141.875.90000112.9
26Y25.9Very low33.9Very low198 Ų198145.4 Ų145.478%0.77680%0.801SS**  trans-37.7144.2162.1-84.1-109.1000116.1
27S32.9Very low34.2Very low118 Ų118145.6 Ų145.683%0.82580%0.796SS**  trans-153.4106135.6-80.40000111.3
28T33.2Very low34.5Very low130 Ų130146.6 Ų146.680%0.79879%0.794SS**  trans71.4109.6136.7-47.80000120
29M35.7Very low34.7Very low186 Ų186148.6 Ų148.692%0.91680%0.797SS**  trans-67.8140.2157.7-64.3-163.5-17300111.1
30G33.6Very low35Very low79 Ų79151.7 Ų151.781%0.81480%0.798SS**  trans-143108.6163.400000108.1
31D33.5Very low35.2Very low132 Ų132148.9 Ų148.971%0.70679%0.791SS**  trans-72.4157.5-171.4-137.3-51.5000113.5
32Q33.7Very low35.4Very low161 Ų161147.2 Ų147.275%0.75279%0.787SS**  trans71.2117.2148.3-120.6130.162.600120.4
33K35.4Very low35.8Very low190 Ų190146.6 Ų146.683%0.82679%0.788SS**  173.2120.280.5-148.6161.9-172.3167.60110.1N35K33-N35 PolarHBondContact O-N 3.38Å
34D36Very low35.8Very low162 Ų162144.5 Ų144.587%0.86678%0.779SS**  trans-56.3126.2167.9-58.7-67.4000110.1
35N38.6Very low36.1Very low124 Ų124147.2 Ų147.266%0.66378%0.784SS**  trans-117.2102162.4-169.1-52.1000108K33 D37K33-N35 PolarHBondContact O-N 3.38Å; N35-D37 PolarHBondContact OD1-N 2.86Å; N35-D37 PolarHBondContact OD1-OD2 3.48Å
36I42.7Very low36.2Very low163 Ų163150.7 Ų150.784%0.83679%0.787SS**  trans-94.986.9174.3-161.3154.6000107.2D38I36-D38 PolarHBondContact O-N 3.46Å
37D40.6Very low36.8Very low139 Ų139147.1 Ų147.174%0.74379%0.788SS**  trans-93.599.8173.2-89.1-38.4000110.2N35N35-D37 PolarHBondContact OD1-N 2.86Å; N35-D37 PolarHBondContact OD1-OD2 3.48Å
38D39.7Very low37.3Very low126 Ų126148 Ų14867%0.67478%0.784SS**  trans51.585.7139.1-132.2-109000118.9I36 K40I36-D38 PolarHBondContact O-N 3.46Å; D38-K40 VanDerWaalsContact C-N 3.33Å; D38-K40 PolarHBondContact O-N 3.04Å
39F38.1Very low37.5Very low202 Ų202149.7 Ų149.789%0.88679%0.785SS**  trans-75.779.3164.2-143.2-92.5000110.3V41F39-V41 HydrophobicContact CD1-CG2 3.97Å; F39-V41 HydrophobicContact CE1-CG2 4.25Å; F39-V41 PolarHBondContact O-N 3.27Å
40K39.3Very low37.5Very low167 Ų167145.6 Ų145.673%0.72677%0.774SS**  trans-87.792.8178.7-152.5170.2-170.7169.60111.6D38 Q42D38-K40 VanDerWaalsContact C-N 3.33Å; D38-K40 PolarHBondContact O-N 3.04Å; K40-Q42 PolarHBondContact O-N 3.14Å; K40-Q42 VanDerWaalsContact O-N 3.14Å
41V39.2Very low37.8Very low108 Ų108146.2 Ų146.266%0.65577%0.772SS**  trans-69.8102.2169.2-177.10000109F39 T43F39-V41 HydrophobicContact CD1-CG2 3.97Å; F39-V41 HydrophobicContact CE1-CG2 4.25Å; F39-V41 PolarHBondContact O-N 3.27Å; V41-T43 PolarHBondContact O-N 3.28Å
42Q36.3Very low37.9Very low174 Ų174146.6 Ų146.681%0.81378%0.778SS**  trans-77.1103.2169.5-81.7175.4-26.300109.8K40 A44K40-Q42 PolarHBondContact O-N 3.14Å; K40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-A44 PolarHBondContact O-N 3.41Å; Q42-A44 VanDerWaalsContact O-N 3.16Å
43T38.9Very low38.1Very low130 Ų130144.9 Ų144.980%0.79878%0.781SS**  trans-72.697.7164.153.70000109.1V41 K45V41-T43 PolarHBondContact O-N 3.28Å; T43-K45 PolarHBondContact O-N 3.13Å
44A34.3Very low38.2Very low86 Ų86144.1 Ų144.171%0.71179%0.785SS**  trans-76.2114.1172.200000110.1Q42Q42-A44 PolarHBondContact O-N 3.41Å; Q42-A44 VanDerWaalsContact O-N 3.16Å
45K38.9Very low38.4Very low200 Ų200147.4 Ų147.487%0.8779%0.786SS**PPolyproline II helixtrans-58.1134.8165-82.7171.2171174.10109.8T43 P47T43-K45 PolarHBondContact O-N 3.13Å; K45-P47 VanDerWaalsContact O-CD 3.29Å; K45-P47 WeakPolarHBondContact O-CD 3.27Å
46H33.5Very low38.2Very low190 Ų190147.7 Ų147.788%0.8879%0.794SS**PPolyproline II helixtrans-79.7124.7167.4-65.7-80.4000110.8
47P39.5Very low37.9Very low122 Ų122148.8 Ų148.879%0.79280%0.795SS**PPolyproline II helixtrans-96.5118.4149.830-21.7000109.6K45 M49K45-P47 VanDerWaalsContact O-CD 3.29Å; K45-P47 WeakPolarHBondContact O-CD 3.27Å; P47-M49 PolarHBondContact O-N 3.35Å
48N43.1Very low37.7Very low138 Ų138147.2 Ų147.274%0.73880%0.795SS**PPolyproline II helixtrans-62.7117.5157.9171.920.8000108.3
49M36.7Very low37.6Very low165 Ų165149.9 Ų149.981%0.81380%0.804SS**  trans-161.5135.9141.8-86.6-42.5161.600111.7P47P47-M49 PolarHBondContact O-N 3.35Å
50S36.2Very low37.5Very low99 Ų99149 Ų14969%0.69280%0.802SS**  trans-35.7150.9165.248.10000119.2
51A40Very low37.2Very low93 Ų93146.3 Ų146.377%0.76980%0.804SS**  trans77.4102145.700000119.3
52V35.8Very low37.3Very low139 Ų139150.5 Ų150.584%0.84281%0.814SS**  trans-134.6123.8149.5-175.20000109.6
53P38.4Very low37.2Very low125 Ų125149.6 Ų149.681%0.81281%0.814SS**PPolyproline II helixtrans-67.8139.3-175.3-23.534.7000115.5
54L37Very low37.4Very low174 Ų174154.7 Ų154.791%0.91182%0.819SS**PPolyproline II helixtrans-83141.3171.9-71.4167.9000111.5
55R39Very low37.5Very low232 Ų232156.9 Ų156.988%0.87582%0.823SS**PPolyproline II helixtrans-56.3146.1175.2-75.8177.1176.6158.7-1.6112.5
56P35.3Very low37.7Very low130 Ų130152.7 Ų152.784%0.84482%0.819SS**PPolyproline II helixtrans-73135.4174.4-5.621.8000111.5
57H36.2Very low38Very low186 Ų186153.5 Ų153.586%0.86182%0.82SS**PPolyproline II helixtrans-73.7125171.8-91.4-89.9000110.8
58S36.5Very low38.2Very low106 Ų106157.8 Ų157.874%0.74182%0.821SS**PPolyproline II helixtrans-68.3124.7163.2530000110.1
59E37.5Very low38Very low182 Ų182157.9 Ų157.985%0.8582%0.821SS**PPolyproline II helixtrans-61.3128.5168.1-72-164.5116.300110.9
60H35.3Very low37.8Very low184 Ų184155 Ų15585%0.85282%0.817SS**  trans-146.5117.9149.2-89.8-52.1000111.6
61S34.7Very low37.9Very low110 Ų110156 Ų15677%0.76982%0.818SS**  trans49.3100.6146-120.80000118.9D63S61-D63 PolarHBondContact O-N 3.48Å
62K40.9Very low37.6Very low196 Ų196159.8 Ų159.885%0.85282%0.82SS**  trans-59.8125148.1-61.9165.7-176.8167.80107.3
63D33.2Very low38.1Very low155 Ų155158.4 Ų158.483%0.82982%0.817SS**  trans-170.5129.1138.2-94.7-40.6000113.2S61S61-D63 PolarHBondContact O-N 3.48Å
64R44.1Very low38.3Very low237 Ų237160.5 Ų160.589%0.89482%0.821SS**  trans78.880.2146.3-141.1173.2-170.5-176.52.5119.3
65T36Very low38.4Very low131 Ų131155.3 Ų155.380%0.80481%0.81SS**  trans-133.878.5156.752.50000112.7
66S42Very low38.4Very low112 Ų112150.8 Ų150.878%0.78381%0.808SS**  trans-105.4138.8153.2-54.50000105.3
67K41.6Very low38.9Very low207 Ų207149.6 Ų149.690%0.980%0.803SS**  cis-148149.322.7-75.8175.4168.3174.70107.8
68R43.2Very low39.1Very low212 Ų212148.7 Ų148.780%0.881%0.805SS**  trans-109.7115.2166-170-177.8178.7-153.60.3106.8
69L38Very low39.3Very low141 Ų141147.1 Ų147.174%0.73881%0.805SS**  trans39.2110.6146.2-156.967.3000119.5T71L69-T71 WeakPolarHBondContact CD1-OG1 3.42Å
70S34Very low39.1Very low104 Ų104142.4 Ų142.473%0.72781%0.806SS**  trans-122.7127.6142.9-56.90000106.9
71T36.7Very low39.5Very low119 Ų119143.3 Ų143.373%0.7381%0.813SS**  trans-11897.4170.9-35.40000105.6L69L69-T71 WeakPolarHBondContact CD1-OG1 3.42Å
72E34.7Very low39.7Very low173 Ų173141.4 Ų141.481%0.80881%0.811SS**  trans-133.4121.7169.753-164.493.300107.8
73S46Very low39.7Very low111 Ų111138.1 Ų138.178%0.77681%0.812SS**  trans-96.4119.2175.3-50.30000107.6
74N41.9Very low40.1Very low168 Ų168135.8 Ų135.890%0.89881%0.808SS**  trans-170.6135.1134.9-112.316.2000109.1
75G40.4Very low39.8Very low66 Ų66130.1 Ų130.168%0.6880%0.8SS**  trans-73.7161.7-175.500000114.1
76T38Very low40.2Very low136 Ų136129.4 Ų129.483%0.83480%0.797SS**  172.8130.4117.343.80000109.6
77S45.6Very low40.6Very low106 Ų106129.2 Ų129.274%0.74179%0.791SS**  trans54.9127.1148.866.10000123
78D40.4Very low41.2Very low166 Ų166126.9 Ų126.989%0.88878%0.784SS**  trans93.3131.1133.4-122.6-49.4000121.6
79G41.6Very low42.4Very low73 Ų73120.7 Ų120.775%0.75377%0.766SS**  trans70.695.8148.200000119.9
80G33.1Very low44.8Very low84 Ų84117.3 Ų117.387%0.86675%0.751SS**  trans-171.760.5167.900000115.5
81M43.8Very low47.5Very low203 Ų203114.5 Ų114.5100%173%0.734SS**  trans-65.8125.1174-175.381.2101.600111.4
82G37.5Very low50.1Low70 Ų70109.2 Ų109.272%0.72270%0.701SS**  trans161.492.8162.400000117.3
83S41.9Very low52.8Low126 Ų126102.6 Ų102.688%0.88167%0.67SS**SBendtrans87.870.7156.6-153.90000118.9
84S41.6Very low55.1Low106 Ų106101.2 Ų101.274%0.74165%0.652SS**SBend-177128.5121.250.10000106.3
85T38.3Very low57.6Low119 Ų11993.2 Ų93.273%0.7361%0.609SS**  trans-28.4121.6173.349.30000111.8V87T85-V87 PolarHBondContact O-N 3.27Å
86P44.2Very low60.2Low115 Ų11590.2 Ų90.275%0.74758%0.577SS**  trans-70.189.4172.920.3-13.8000106.4E88P86-E88 PolarHBondContact O-N 2.91Å
87V50.5Low62.9Low108 Ų10888.3 Ų88.366%0.65556%0.555SS**  trans-65.299.8154.3-178.40000102.8T85 I89T85-V87 PolarHBondContact O-N 3.27Å; V87-I89 PolarHBondContact O-N 3.4Å
88E54.6Low65.2Low159 Ų15987.6 Ų87.674%0.74354%0.536SS*.  trans-40.7103.3171-72.4-78.5143.300107.8P86 T90P86-E88 PolarHBondContact O-N 2.91Å; E88-T90 PolarHBondContact O-N 2.62Å
89I68Low67.9Low82 Ų8279.7 Ų79.742%0.42149%0.493SS..  trans-70.5105.2176.5-62.9159.5000104.2V87 E93 E94V87-I89 PolarHBondContact O-N 3.4Å; I89-E93 HydrophobicContact CG2-CB 3.89Å; I89-E93 HydrophobicContact CG2-CG 4.07Å; I89-E94 HydrophobicContact CG2-CB 4.18Å
90T87.4Confident70.4Confident69 Ų6976.3 Ų76.342%0.42346%0.459SS..  trans-55.415017862.70000110.1E88 L92 E93 E94E88-T90 PolarHBondContact O-N 2.62Å; T90-L92 PolarHBondContact O-N 2.7Å; T90-E93 WeakPolarHBondContact O-CA 3.33Å; T90-E93 PolarHBondContact O-N 2.93Å; T90-E93 WeakPolarHBondContact OG1-CB 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; T90-E93 VanDerWaalsContact OG1-N 3.16Å; T90-E94 PolarHBondContact O-N 3.09Å
91A90.4Very high73.4Confident46 Ų4676.2 Ų76.238%0.3844%0.437SS..Hα-helixtrans-55.3-29177.100000112.5S95 E186A91-S95 WeakPolarHBondContact O-CB 2.95Å; A91-S95 PolarHBondContact O-N 3.04Å; A91-S95 VanDerWaalsContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.31Å; A91-E186 HydrophobicContact CB-CB 4.09Å; A91-E186 HydrophobicContact CB-CG 4.01Å
92L91.1Very high75.7Confident8 Ų868.9 Ų68.94%0.04240%0.401CS..Hα-helixtrans-68.9-45.7173.9-177.264.5000111.6T90 E94 S95 F96 F154 F157 L161 F182 I185 E186T90-L92 PolarHBondContact O-N 2.7Å; L92-E94 VanDerWaalsContact C-N 3.34Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 3.33Å; L92-F96 PolarHBondContact O-N 3.41Å; L92-F154 HydrophobicContact CG-CE2 4.39Å; L92-F157 HydrophobicContact CD1-CE1 4.07Å; L92-F157 HydrophobicContact CD1-CZ 4.41Å; L92-F157 HydrophobicContact CG-CE1 4.16Å; L92-L161 HydrophobicContact CD1-CD1 4.23Å; L92-F182 HydrophobicContact CD1-CD1 4.35Å; L92-F182 HydrophobicContact CD2-CB 4.34Å; L92-F182 HydrophobicContact CD2-CD1 3.71Å; L92-F182 HydrophobicContact CD2-CD2 4.15Å; L92-F182 HydrophobicContact CD2-CE1 3.98Å; L92-F182 HydrophobicContact CD2-CE2 4.41Å; L92-F182 HydrophobicContact CD2-CG 3.8Å; L92-F182 HydrophobicContact CD2-CZ 4.33Å; L92-I185 HydrophobicContact CD1-CB 3.9Å; L92-I185 HydrophobicContact CD1-CG2 3.72Å; L92-E186 HydrophobicContact CB-CG 3.92Å; L92-E186 HydrophobicContact CD1-CG 4.49Å
93E92.6Very high78.2Confident33 Ų3368.8 Ų68.815%0.15440%0.4CS..Hα-helixtrans-66.2-36.3176.4-169.3-178.3165.100111.8I89 T90 S95 F96 R97 F154I89-E93 HydrophobicContact CG2-CB 3.89Å; I89-E93 HydrophobicContact CG2-CG 4.07Å; T90-E93 WeakPolarHBondContact O-CA 3.33Å; T90-E93 PolarHBondContact O-N 2.93Å; T90-E93 WeakPolarHBondContact OG1-CB 3.43Å; T90-E93 PolarHBondContact OG1-N 2.79Å; T90-E93 VanDerWaalsContact OG1-N 3.16Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 3.42Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.03Å; E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.81Å; E93-R97 IonicContact OE1-NE 2.68Å; E93-R97 PolarHBondContact OE1-NE 2.68Å; E93-R97 IonicContact OE1-NH2 3.26Å; E93-R97 PolarHBondContact OE1-NH2 2.91Å; E93-F154 HydrophobicContact CB-CD2 4.34Å; E93-F154 HydrophobicContact CB-CE1 4.16Å; E93-F154 HydrophobicContact CB-CE2 3.75Å; E93-F154 HydrophobicContact CB-CZ 3.64Å; E93-F154 HydrophobicContact CG-CD1 4.31Å; E93-F154 HydrophobicContact CG-CD2 4.07Å; E93-F154 HydrophobicContact CG-CE1 4.23Å; E93-F154 HydrophobicContact CG-CE2 3.99Å; E93-F154 HydrophobicContact CG-CG 4.23Å; E93-F154 HydrophobicContact CG-CZ 4.07Å
94E93.8Very high80.4Confident82 Ų8266.4 Ų66.438%0.38338%0.377SS..Hα-helixtrans-61.7-44.3173.7-163.5-167.3166.800110.9I89 T90 L92 R97 R98I89-E94 HydrophobicContact CG2-CB 4.18Å; T90-E94 PolarHBondContact O-N 3.09Å; L92-E94 VanDerWaalsContact C-N 3.34Å; E94-R97 PolarHBondContact O-N 3.1Å; E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.39Å; E94-R98 IonicContact OE1-CZ 3.61Å; E94-R98 VanDerWaalsContact OE1-CZ 3.25Å; E94-R98 IonicContact OE1-NE 3.99Å; E94-R98 PolarHBondContact OE1-NE 2.94Å; E94-R98 VanDerWaalsContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 3.25Å; E94-R98 PolarHBondContact OE1-NH2 3.44Å; E94-R98 IonicContact OE2-NH2 2.88Å
95S94.4Very high82.6Confident0 Ų068.6 Ų68.60%039%0.386CS..Hα-helixtrans-62.1-46.8175.9-53.70000110.3A91 L92 E93 R97 R98 F99 I185 G187A91-S95 WeakPolarHBondContact O-CB 2.95Å; A91-S95 PolarHBondContact O-N 3.04Å; A91-S95 VanDerWaalsContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.31Å; L92-S95 WeakPolarHBondContact O-CB 3.44Å; L92-S95 PolarHBondContact O-N 3.33Å; E93-S95 VanDerWaalsContact C-N 3.32Å; E93-S95 PolarHBondContact O-N 3.42Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.94Å; S95-R98 PolarHBondContact O-N 3.16Å; S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 PolarHBondContact O-N 3.07Å; S95-I185 WeakPolarHBondContact CB-O 3.22Å; S95-I185 PolarHBondContact OG-O 3.29Å; S95-G187 PolarHBondContact OG-N 2.88Å
96F95.7Very high85Confident3 Ų373.6 Ų73.61%0.01339%0.391CS..Hα-helixtrans-51.3-50172.5172.1-87.6000111.7L92 E93 R98 F99 A100 G109 K110 M112 F154 F157L92-F96 PolarHBondContact O-N 3.41Å; E93-F96 WeakPolarHBondContact O-CB 3.45Å; E93-F96 PolarHBondContact O-N 3.03Å; F96-R98 PolarHBondContact O-N 3.19Å; F96-F99 PolarHBondContact O-N 3.22Å; F96-A100 HydrophobicContact CE1-CB 4.26Å; F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.48Å; F96-A100 PolarHBondContact O-N 3.14Å; F96-G109 WeakPolarHBondContact CE1-O 3.35Å; F96-K110 WeakPolarHBondContact CE1-O 3.5Å; F96-M112 HydrophobicContact CB-CE 4.3Å; F96-M112 HydrophobicContact CD2-CE 3.12Å; F96-M112 HydrophobicContact CE2-CB 3.74Å; F96-M112 HydrophobicContact CE2-CE 3.42Å; F96-M112 VanDerWaalsContact CE2-CE 3.42Å; F96-M112 HydrophobicContact CG-CE 3.78Å; F96-M112 HydrophobicContact CZ-CB 3.91Å; F96-M112 HydrophobicContact CZ-CE 4.3Å; F96-F154 HydrophobicContact CB-CD2 3.95Å; F96-F154 HydrophobicContact CB-CE2 4.17Å; F96-F154 HydrophobicContact CD1-CB 4.42Å; F96-F154 HydrophobicContact CD1-CD2 4.07Å; F96-F154 AromaticContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CE1-CB 4.21Å; F96-F154 AromaticContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CE2 4.45Å; F96-F154 HydrophobicContact CZ-CB 4.31Å; F96-F157 HydrophobicContact CB-CE1 4.25Å; F96-F157 HydrophobicContact CB-CZ 4.49Å; F96-F157 HydrophobicContact CD2-CB 3.86Å; F96-F157 AromaticContact CD2-CD1 3.69Å; F96-F157 HydrophobicContact CD2-CD1 3.69Å; F96-F157 AromaticContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CE1 4.08Å; F96-F157 HydrophobicContact CD2-CE2 4.13Å; F96-F157 AromaticContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CG 3.49Å; F96-F157 VanDerWaalsContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CZ 4.28Å; F96-F157 HydrophobicContact CE2-CB 3.68Å; F96-F157 HydrophobicContact CE2-CD1 4.39Å; F96-F157 HydrophobicContact CE2-CD2 4.13Å; F96-F157 AromaticContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CG-CD1 4.47Å
97R94.9Very high87.2Confident96 Ų9669.7 Ų69.736%0.36237%0.369SS..Hα-helixtrans-62.5-43.4-179.9-72.4178.1-173.2-172.16.2112.1E93 E94 S95 F99 A100 I101 G109E93-R97 WeakPolarHBondContact O-CG 3.34Å; E93-R97 PolarHBondContact O-N 3.38Å; E93-R97 IonicContact OE1-CZ 3.81Å; E93-R97 IonicContact OE1-NE 2.68Å; E93-R97 PolarHBondContact OE1-NE 2.68Å; E93-R97 IonicContact OE1-NH2 3.26Å; E93-R97 PolarHBondContact OE1-NH2 2.91Å; E94-R97 PolarHBondContact O-N 3.1Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.94Å; R97-F99 VanDerWaalsContact C-N 3.32Å; R97-F99 PolarHBondContact O-N 2.94Å; R97-A100 PolarHBondContact O-N 3.36Å; R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.04Å; R97-I101 VanDerWaalsContact O-N 3.12Å; R97-G109 WeakPolarHBondContact CG-O 3.46Å
98R94.2Very high89Confident91 Ų9169.8 Ų69.834%0.34337%0.37SS..Hα-helixtrans-58.4-42.1177-71.7169.5177.8-164.90.3111.8E94 S95 F96 G187 P190E94-R98 VanDerWaalsContact O-CG 3.29Å; E94-R98 WeakPolarHBondContact O-CG 3.37Å; E94-R98 PolarHBondContact O-N 3.39Å; E94-R98 IonicContact OE1-CZ 3.61Å; E94-R98 VanDerWaalsContact OE1-CZ 3.25Å; E94-R98 IonicContact OE1-NE 3.99Å; E94-R98 PolarHBondContact OE1-NE 2.94Å; E94-R98 VanDerWaalsContact OE1-NE 3.15Å; E94-R98 IonicContact OE1-NH2 3.25Å; E94-R98 PolarHBondContact OE1-NH2 3.44Å; E94-R98 IonicContact OE2-NH2 2.88Å; S95-R98 PolarHBondContact O-N 3.16Å; F96-R98 PolarHBondContact O-N 3.19Å; R98-G187 PolarHBondContact NH1-O 2.81Å; R98-P190 WeakPolarHBondContact O-CG 3.25Å
99F95.7Very high90.8Very high0 Ų062.4 Ų62.40%034%0.336CS..Hα-helixtrans-75.9-35.5175.1-78.5-89.8000112.9S95 F96 R97 I101 H102 M112 N116 K119 L120 D123 K188 A189 P190S95-F99 VanDerWaalsContact O-CD2 3.29Å; S95-F99 WeakPolarHBondContact O-CD2 3.29Å; S95-F99 PolarHBondContact O-N 3.07Å; F96-F99 PolarHBondContact O-N 3.22Å; R97-F99 VanDerWaalsContact C-N 3.32Å; R97-F99 PolarHBondContact O-N 2.94Å; F99-I101 PolarHBondContact O-N 3.2Å; F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.4Å; F99-H102 PolarHBondContact O-N 2.83Å; F99-H102 VanDerWaalsContact O-N 3.16Å; F99-M112 HydrophobicContact CB-CE 4.18Å; F99-M112 HydrophobicContact CB-SD 4.26Å; F99-N116 WeakPolarHBondContact O-CB 3.4Å; F99-N116 VanDerWaalsContact O-CG 3.31Å; F99-N116 PolarHBondContact O-ND2 3.28Å; F99-K119 HydrophobicContact CD1-CG 4.48Å; F99-K119 HydrophobicContact CE1-CG 4.24Å; F99-L120 HydrophobicContact CB-CB 4.38Å; F99-L120 HydrophobicContact CB-CD1 3.97Å; F99-L120 HydrophobicContact CD1-CB 3.67Å; F99-L120 HydrophobicContact CD1-CD1 4.48Å; F99-L120 HydrophobicContact CD1-CG 4.3Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CD1 3.74Å; F99-L120 HydrophobicContact CD2-CG 4.02Å; F99-L120 VanDerWaalsContact CE1-CA 3.49Å; F99-L120 HydrophobicContact CE1-CB 3.95Å; F99-L120 HydrophobicContact CE1-CG 4.46Å; F99-L120 HydrophobicContact CE2-CD1 4.35Å; F99-L120 HydrophobicContact CE2-CG 4.19Å; F99-L120 HydrophobicContact CG-CB 3.87Å; F99-L120 HydrophobicContact CG-CD1 3.83Å; F99-L120 HydrophobicContact CG-CG 4.09Å; F99-L120 HydrophobicContact CZ-CB 4.38Å; F99-L120 HydrophobicContact CZ-CG 4.41Å; F99-D123 HydrophobicContact CE1-CB 4.03Å; F99-D123 HydrophobicContact CZ-CB 3.97Å; F99-K188 HydrophobicContact CE2-CB 4.36Å; F99-A189 VanDerWaalsContact CZ-C 3.43Å; F99-P190 HydrophobicContact CB-CG 4.41Å; F99-P190 HydrophobicContact CD1-CB 4.09Å; F99-P190 HydrophobicContact CD1-CG 3.64Å; F99-P190 HydrophobicContact CD2-CG 4.25Å; F99-P190 VanDerWaalsContact CE1-CA 3.49Å; F99-P190 HydrophobicContact CE1-CB 3.96Å; F99-P190 HydrophobicContact CE1-CG 3.89Å; F99-P190 HydrophobicContact CE2-CG 4.47Å; F99-P190 HydrophobicContact CG-CG 3.83Å; F99-P190 HydrophobicContact CZ-CG 4.3Å
100A95.5Very high92Very high3 Ų366 Ų663%0.02535%0.349CS..Hα-helixtrans-61.5-42.2-179.700000112.5F96 R97 H102 M112 N116F96-A100 HydrophobicContact CE1-CB 4.26Å; F96-A100 VanDerWaalsContact O-CB 3.22Å; F96-A100 WeakPolarHBondContact O-CB 3.48Å; F96-A100 PolarHBondContact O-N 3.14Å; R97-A100 PolarHBondContact O-N 3.36Å; A100-H102 VanDerWaalsContact C-N 3.28Å; A100-H102 PolarHBondContact O-N 2.79Å; A100-M112 HydrophobicContact CB-CB 4.15Å; A100-M112 HydrophobicContact CB-CG 4.43Å; A100-N116 PolarHBondContact O-ND2 3.49Å
101I94.9Very high92.3Very high82 Ų8266.1 Ų66.142%0.42135%0.347SS..THydrogen-bonded Turntrans-80.9-6.2178.168.5179.9000114R97 F99 G103 D104 A107 G109R97-I101 WeakPolarHBondContact O-CG1 3.47Å; R97-I101 PolarHBondContact O-N 3.04Å; R97-I101 VanDerWaalsContact O-N 3.12Å; F99-I101 PolarHBondContact O-N 3.2Å; I101-G103 PolarHBondContact O-N 2.96Å; I101-D104 PolarHBondContact O-N 2.84Å; I101-A107 HydrophobicContact CB-CB 4.49Å; I101-A107 HydrophobicContact CG2-CB 4.34Å; I101-G109 VanDerWaalsContact CG2-CA 3.48Å
102H93.1Very high92.5Very high49 Ų4964 Ų6423%0.22733%0.329CS..THydrogen-bonded Turntrans-64123.8-172.7-173.666.4000111.7F99 A100 D104 N116 K119 P190F99-H102 VanDerWaalsContact O-CB 3.24Å; F99-H102 WeakPolarHBondContact O-CB 3.4Å; F99-H102 PolarHBondContact O-N 2.83Å; F99-H102 VanDerWaalsContact O-N 3.16Å; A100-H102 VanDerWaalsContact C-N 3.28Å; A100-H102 PolarHBondContact O-N 2.79Å; H102-D104 PolarHBondContact O-N 3.22Å; H102-N116 PolarHBondContact O-ND2 3.03Å; H102-N116 PolarHBondContact O-OD1 3.39Å; H102-K119 WeakPolarHBondContact NE2-CE 3.45Å; H102-P190 HydrophobicContact CB-CB 4.21Å; H102-P190 HydrophobicContact CB-CG 3.78Å; H102-P190 WeakPolarHBondContact ND1-CB 3.41Å
103G89.3Confident92.8Very high68 Ų6867.4 Ų67.470%0.70135%0.345SS*.THydrogen-bonded Turntrans72.95178.400000115.2I101I101-G103 PolarHBondContact O-N 2.96Å
104D88.6Confident92.9Very high76 Ų7666.3 Ų66.341%0.40634%0.343SS..  trans-132101.2172.8-172.6-11.5000110.3I101 H102 R106 A107I101-D104 PolarHBondContact O-N 2.84Å; H102-D104 PolarHBondContact O-N 3.22Å; D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.09Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.2Å; D104-A107 HydrophobicContact CB-CB 3.9Å; D104-A107 WeakPolarHBondContact O-CB 3.33Å; D104-A107 PolarHBondContact O-N 3.31Å; D104-A107 VanDerWaalsContact O-N 3.13Å; D104-A107 PolarHBondContact OD1-N 3.31Å
105T87.1Confident92.9Very high151 Ų15168.3 Ų68.393%0.92635%0.35SS*.THydrogen-bonded Turntrans-67.8-8.1-17956.20000113.8
106R88.3Confident93Very high224 Ų22468.8 Ų68.885%0.84535%0.353SS*.THydrogen-bonded Turntrans-100.6-12.9176.9-60.5177.963-167.1-1.6112.5D104D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.09Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 PolarHBondContact OD1-N 3.2Å
107A90.9Very high93Very high33 Ų3368.7 Ų68.727%0.27335%0.352SS..  trans-66.7139.1-179.600000110.8I101 D104I101-A107 HydrophobicContact CB-CB 4.49Å; I101-A107 HydrophobicContact CG2-CB 4.34Å; D104-A107 HydrophobicContact CB-CB 3.9Å; D104-A107 WeakPolarHBondContact O-CB 3.33Å; D104-A107 PolarHBondContact O-N 3.31Å; D104-A107 VanDerWaalsContact O-N 3.13Å; D104-A107 PolarHBondContact OD1-N 3.31Å
108T89.2Confident93.1Very high110 Ų11064.7 Ų64.768%0.67534%0.339SS*.  trans-88.8-9.2-178.556.60000113K110T108-K110 VanDerWaalsContact C-N 3.28Å; T108-K110 PolarHBondContact O-N 3.24Å
109G90.8Very high93.1Very high4 Ų462.5 Ų62.54%0.04133%0.332CS..SBendtrans79.94.1-17500000114.4F96 R97 I101F96-G109 WeakPolarHBondContact CE1-O 3.35Å; R97-G109 WeakPolarHBondContact CG-O 3.46Å; I101-G109 VanDerWaalsContact CG2-CA 3.48Å
110K93.1Very high93.1Very high158 Ų15862.5 Ų62.569%0.68733%0.332SS*.SBendtrans-75.1-37177.4-66.4-173.8178.1-1720113.1F96 T108F96-K110 WeakPolarHBondContact CE1-O 3.5Å; T108-K110 VanDerWaalsContact C-N 3.28Å; T108-K110 PolarHBondContact O-N 3.24Å
111D94.4Very high93.1Very high72 Ų7262.4 Ų62.439%0.38533%0.331SS..EExtended strand (participates in β ladder)trans-127.8147.3-177.9-49.8-38.7000110.5T151 I152D111-T151 HydrophobicContact CB-CG2 4.45Å; D111-I152 CarbonylContact C-O 3.52Å; D111-I152 VanDerWaalsContact CA-O 3.26Å; D111-I152 WeakPolarHBondContact CA-O 3.42Å
112M95.7Very high93.1Very high0 Ų063.8 Ų63.80%033%0.334CS..EExtended strand (participates in β ladder)trans-111.3133.6-179.1-170.5180-40.300111.5F96 F99 A100 N116 W117 L120 T151 I152 F157F96-M112 HydrophobicContact CB-CE 4.3Å; F96-M112 HydrophobicContact CD2-CE 3.12Å; F96-M112 HydrophobicContact CE2-CB 3.74Å; F96-M112 HydrophobicContact CE2-CE 3.42Å; F96-M112 VanDerWaalsContact CE2-CE 3.42Å; F96-M112 HydrophobicContact CG-CE 3.78Å; F96-M112 HydrophobicContact CZ-CB 3.91Å; F96-M112 HydrophobicContact CZ-CE 4.3Å; F99-M112 HydrophobicContact CB-CE 4.18Å; F99-M112 HydrophobicContact CB-SD 4.26Å; A100-M112 HydrophobicContact CB-CB 4.15Å; A100-M112 HydrophobicContact CB-CG 4.43Å; M112-N116 HydrophobicContact CG-CB 3.72Å; M112-N116 HydrophobicContact SD-CB 4.19Å; M112-W117 VanDerWaalsContact SD-CA 3.58Å; M112-W117 HydrophobicContact SD-CB 4.04Å; M112-W117 PolarHBondContact SD-N 3.22Å; M112-W117 VanDerWaalsContact SD-N 3.44Å; M112-L120 HydrophobicContact CE-CD1 3.91Å; M112-L120 HydrophobicContact SD-CD1 4.31Å; M112-T151 CarbonylContact O-C 3.5Å; M112-T151 WeakPolarHBondContact O-CA 3.28Å; M112-T151 WeakPolarHBondContact O-CB 3.43Å; M112-I152 HydrophobicContact CB-CG1 4.26Å; M112-I152 PolarHBondContact N-O 3.42Å; M112-I152 PolarHBondContact O-N 3.16Å; M112-F157 HydrophobicContact CE-CD2 4.14Å; M112-F157 HydrophobicContact CE-CE2 4.08Å
113H95.8Very high93.1Very high80 Ų8063.8 Ų63.837%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-78.5150.3174.1-159.8-58.6000111.6K115 N116 W117 T151H113-K115 VanDerWaalsContact C-N 3.3Å; H113-K115 HydrophobicContact CB-CG 4.25Å; H113-K115 PolarHBondContact O-N 3.44Å; H113-N116 WeakPolarHBondContact O-CA 3.33Å; H113-N116 WeakPolarHBondContact O-CB 3.31Å; H113-N116 PolarHBondContact O-N 3.05Å; H113-W117 PolarHBondContact O-N 3.15Å; H113-T151 HydrophobicContact CB-CG2 4.33Å
114G95.1Very high93.3Very high11 Ų1160.9 Ų60.911%0.11330%0.304CS..Hα-helixtrans-49-43.3177.200000114.7N116 W117 S118 F141G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.49Å; G114-W117 WeakPolarHBondContact O-CB 3.35Å; G114-W117 PolarHBondContact O-N 3Å; G114-S118 PolarHBondContact O-N 3.06Å; G114-S118 PolarHBondContact O-OG 3.24Å; G114-F141 VanDerWaalsContact CA-CE2 3.46Å
115K94.7Very high93.4Very high124 Ų12459 Ų5954%0.53930%0.303SS..Hα-helixtrans-58-36.517566.7173.1-170.8178.20113.5H113 K119H113-K115 VanDerWaalsContact C-N 3.3Å; H113-K115 HydrophobicContact CB-CG 4.25Å; H113-K115 PolarHBondContact O-N 3.44Å; K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 PolarHBondContact O-N 3.2Å; K115-K119 VanDerWaalsContact O-N 3.11Å
116N96Very high93.6Very high10 Ų1051.8 Ų51.85%0.05326%0.259CS..Hα-helixtrans-79.4-33.9-179.3-70.6-1000110.4F99 A100 H102 M112 H113 G114 K119 L120F99-N116 WeakPolarHBondContact O-CB 3.4Å; F99-N116 VanDerWaalsContact O-CG 3.31Å; F99-N116 PolarHBondContact O-ND2 3.28Å; A100-N116 PolarHBondContact O-ND2 3.49Å; H102-N116 PolarHBondContact O-ND2 3.03Å; H102-N116 PolarHBondContact O-OD1 3.39Å; M112-N116 HydrophobicContact CG-CB 3.72Å; M112-N116 HydrophobicContact SD-CB 4.19Å; H113-N116 WeakPolarHBondContact O-CA 3.33Å; H113-N116 WeakPolarHBondContact O-CB 3.31Å; H113-N116 PolarHBondContact O-N 3.05Å; G114-N116 VanDerWaalsContact C-N 3.26Å; G114-N116 PolarHBondContact O-N 3.49Å; N116-K119 WeakPolarHBondContact O-CB 3.31Å; N116-K119 PolarHBondContact O-N 2.85Å; N116-L120 WeakPolarHBondContact O-CB 3.37Å; N116-L120 PolarHBondContact O-N 2.88Å
117W96.6Very high93.8Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-61.3-52169.8163.8-106.7000111.7M112 H113 G114 K119 L120 C121 V137 V140 F141 I152 F157 A160 L161 L164M112-W117 VanDerWaalsContact SD-CA 3.58Å; M112-W117 HydrophobicContact SD-CB 4.04Å; M112-W117 PolarHBondContact SD-N 3.22Å; M112-W117 VanDerWaalsContact SD-N 3.44Å; H113-W117 PolarHBondContact O-N 3.15Å; G114-W117 WeakPolarHBondContact O-CB 3.35Å; G114-W117 PolarHBondContact O-N 3Å; W117-K119 PolarHBondContact O-N 3.11Å; W117-L120 WeakPolarHBondContact O-CB 3.27Å; W117-L120 PolarHBondContact O-N 3.12Å; W117-C121 PolarHBondContact O-N 3.34Å; W117-C121 PolarHBondContact O-SG 3.44Å; W117-V137 HydrophobicContact CG-CG1 4.47Å; W117-V137 PolarHBondContact NE1-O 3.35Å; W117-V140 HydrophobicContact CZ2-CG1 4.36Å; W117-F141 HydrophobicContact CB-CD2 3.86Å; W117-F141 HydrophobicContact CB-CE2 4.11Å; W117-F141 AromaticContact CD1-CD2 3.55Å; W117-F141 AromaticContact CD1-CG 3.92Å; W117-F141 HydrophobicContact CD2-CD2 4.49Å; W117-F141 AromaticContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CE2 4.42Å; W117-F141 HydrophobicContact CG-CG 4.49Å; W117-I152 HydrophobicContact CE3-CD1 4.42Å; W117-F157 AromaticContact CE3-CD2 3.67Å; W117-F157 HydrophobicContact CE3-CD2 3.67Å; W117-F157 AromaticContact CE3-CE2 3.74Å; W117-F157 HydrophobicContact CE3-CE2 3.74Å; W117-F157 AromaticContact CZ3-CD2 3.44Å; W117-F157 HydrophobicContact CZ3-CD2 3.44Å; W117-F157 VanDerWaalsContact CZ3-CD2 3.44Å; W117-F157 AromaticContact CZ3-CE2 3.43Å; W117-F157 HydrophobicContact CZ3-CE2 3.43Å; W117-F157 VanDerWaalsContact CZ3-CE2 3.43Å; W117-A160 HydrophobicContact CH2-CB 3.51Å; W117-A160 HydrophobicContact CZ2-CB 3.76Å; W117-A160 HydrophobicContact CZ3-CB 4.2Å; W117-L161 HydrophobicContact CH2-CD2 3.68Å; W117-L161 HydrophobicContact CH2-CG 4.21Å; W117-L161 HydrophobicContact CZ3-CD2 3.73Å; W117-L161 HydrophobicContact CZ3-CG 4.2Å; W117-L164 HydrophobicContact CH2-CD1 3.7Å; W117-L164 HydrophobicContact CZ2-CD1 3.44Å; W117-L164 VanDerWaalsContact CZ2-CD1 3.44Å; W117-L164 HydrophobicContact CZ2-CG 4.29Å
118S95.6Very high93.6Very high13 Ų1343.9 Ų43.99%0.09123%0.228CC..Hα-helixtrans-62.9-29.3177.9-42.30000111.6G114 K122 D138G114-S118 PolarHBondContact O-N 3.06Å; G114-S118 PolarHBondContact O-OG 3.24Å; S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.4Å; S118-K122 PolarHBondContact O-N 3.25Å; S118-D138 PolarHBondContact OG-OD1 3.39Å
119K95.1Very high93.3Very high45 Ų4541.7 Ų41.720%0.19623%0.228CC..Hα-helixtrans-69.2-45.9171.2-177.6169.1178.748.20112.5F99 H102 K115 N116 W117 C121 K122 D123 V191F99-K119 HydrophobicContact CD1-CG 4.48Å; F99-K119 HydrophobicContact CE1-CG 4.24Å; H102-K119 WeakPolarHBondContact NE2-CE 3.45Å; K115-K119 WeakPolarHBondContact O-CB 3.44Å; K115-K119 PolarHBondContact O-N 3.2Å; K115-K119 VanDerWaalsContact O-N 3.11Å; N116-K119 WeakPolarHBondContact O-CB 3.31Å; N116-K119 PolarHBondContact O-N 2.85Å; W117-K119 PolarHBondContact O-N 3.11Å; K119-C121 VanDerWaalsContact C-N 3.33Å; K119-C121 PolarHBondContact O-N 3.18Å; K119-K122 PolarHBondContact O-N 3.18Å; K119-D123 WeakPolarHBondContact CE-OD2 3.45Å; K119-D123 WeakPolarHBondContact CG-OD2 3.46Å; K119-D123 IonicContact NZ-OD1 3.15Å; K119-D123 PolarHBondContact NZ-OD1 3.32Å; K119-D123 IonicContact NZ-OD2 3.82Å; K119-D123 PolarHBondContact NZ-OD2 3.19Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.3Å; K119-D123 PolarHBondContact O-N 3.01Å; K119-V191 PolarHBondContact NZ-O 2.9Å
120L96.1Very high93.1Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-57.5-46.4176.1-178156.3000111F99 M112 N116 W117 K122 D123 C124 F157 I185F99-L120 HydrophobicContact CB-CB 4.38Å; F99-L120 HydrophobicContact CB-CD1 3.97Å; F99-L120 HydrophobicContact CD1-CB 3.67Å; F99-L120 HydrophobicContact CD1-CD1 4.48Å; F99-L120 HydrophobicContact CD1-CG 4.3Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CD1 3.74Å; F99-L120 HydrophobicContact CD2-CG 4.02Å; F99-L120 VanDerWaalsContact CE1-CA 3.49Å; F99-L120 HydrophobicContact CE1-CB 3.95Å; F99-L120 HydrophobicContact CE1-CG 4.46Å; F99-L120 HydrophobicContact CE2-CD1 4.35Å; F99-L120 HydrophobicContact CE2-CG 4.19Å; F99-L120 HydrophobicContact CG-CB 3.87Å; F99-L120 HydrophobicContact CG-CD1 3.83Å; F99-L120 HydrophobicContact CG-CG 4.09Å; F99-L120 HydrophobicContact CZ-CB 4.38Å; F99-L120 HydrophobicContact CZ-CG 4.41Å; M112-L120 HydrophobicContact CE-CD1 3.91Å; M112-L120 HydrophobicContact SD-CD1 4.31Å; N116-L120 WeakPolarHBondContact O-CB 3.37Å; N116-L120 PolarHBondContact O-N 2.88Å; W117-L120 WeakPolarHBondContact O-CB 3.27Å; W117-L120 PolarHBondContact O-N 3.12Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.3Å; L120-D123 PolarHBondContact O-N 3.43Å; L120-C124 VanDerWaalsContact O-CB 3.25Å; L120-C124 WeakPolarHBondContact O-CB 3.44Å; L120-C124 PolarHBondContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.21Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; L120-F157 HydrophobicContact CD1-CE2 3.73Å; L120-F157 HydrophobicContact CD1-CZ 3.93Å; L120-F157 HydrophobicContact CD2-CE2 4.15Å; L120-F157 HydrophobicContact CD2-CZ 4.4Å; L120-I185 HydrophobicContact CD1-CG2 4.19Å; L120-I185 HydrophobicContact CD2-CD1 3.82Å; L120-I185 HydrophobicContact CD2-CG1 3.95Å; L120-I185 HydrophobicContact CD2-CG2 4.1Å; L120-I185 HydrophobicContact CG-CG2 4.33Å
121C95.1Very high92.8Very high0 Ų045.3 Ų45.30%025%0.245CC..Hα-helixtrans-64.2-30.7179.2-63.50000113.2W117 K119 V126 I127 V137W117-C121 PolarHBondContact O-N 3.34Å; W117-C121 PolarHBondContact O-SG 3.44Å; K119-C121 VanDerWaalsContact C-N 3.33Å; K119-C121 PolarHBondContact O-N 3.18Å; C121-V126 HydrophobicContact CB-CB 4.05Å; C121-V126 WeakPolarHBondContact O-CB 3.14Å; C121-V126 PolarHBondContact O-N 3.34Å; C121-I127 HydrophobicContact CB-CD1 4.2Å; C121-I127 HydrophobicContact CB-CG1 4.04Å; C121-I127 PolarHBondContact O-N 2.9Å; C121-V137 HydrophobicContact CB-CG1 3.92Å; C121-V137 HydrophobicContact CB-CG2 3.95Å
122K93.8Very high92.7Very high112 Ų11241.9 Ų41.949%0.48723%0.227SC..Hα-helixtrans-74.8-54.3173.7-72.5172.8-172.4-178.40111.7S118 K119 L120 C124 G125 I127 L134S118-K122 VanDerWaalsContact O-CG 3.27Å; S118-K122 WeakPolarHBondContact O-CG 3.4Å; S118-K122 PolarHBondContact O-N 3.25Å; K119-K122 PolarHBondContact O-N 3.18Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.3Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.07Å; K122-G125 PolarHBondContact O-N 2.97Å; K122-G125 VanDerWaalsContact O-N 3.13Å; K122-I127 HydrophobicContact CG-CD1 3.63Å; K122-L134 VanDerWaalsContact CE-CD1 3.43Å
123D94Very high92.7Very high48 Ų4844.5 Ų44.526%0.25724%0.243SC..Hα-helixtrans-65.6-32.9-173.4-69.32.5000112F99 K119 L120 V191F99-D123 HydrophobicContact CE1-CB 4.03Å; F99-D123 HydrophobicContact CZ-CB 3.97Å; K119-D123 WeakPolarHBondContact CE-OD2 3.45Å; K119-D123 WeakPolarHBondContact CG-OD2 3.46Å; K119-D123 IonicContact NZ-OD1 3.15Å; K119-D123 PolarHBondContact NZ-OD1 3.32Å; K119-D123 IonicContact NZ-OD2 3.82Å; K119-D123 PolarHBondContact NZ-OD2 3.19Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.3Å; K119-D123 PolarHBondContact O-N 3.01Å; L120-D123 PolarHBondContact O-N 3.43Å; D123-V191 HydrophobicContact CB-CG2 4.09Å; D123-V191 PolarHBondContact OD2-N 3.15Å
124C93.4Very high92.6Very high7 Ų743.8 Ų43.85%0.04724%0.241CC..THydrogen-bonded Turntrans-89.61.7178-56.70000113.4L120 K122 V126 I185L120-C124 VanDerWaalsContact O-CB 3.25Å; L120-C124 WeakPolarHBondContact O-CB 3.44Å; L120-C124 PolarHBondContact O-N 3.08Å; L120-C124 PolarHBondContact O-SG 3.21Å; L120-C124 VanDerWaalsContact O-SG 3.33Å; K122-C124 VanDerWaalsContact C-N 3.3Å; K122-C124 PolarHBondContact O-N 3.07Å; C124-V126 VanDerWaalsContact C-N 3.28Å; C124-V126 HydrophobicContact CB-CG2 4.22Å; C124-V126 PolarHBondContact O-N 2.79Å; C124-I185 HydrophobicContact CB-CG1 3.8Å
125G90.5Very high92.6Very high37 Ų3747.6 Ų47.638%0.38126%0.263SS..THydrogen-bonded Turntrans65.828.318000000113.9K122 I127 K168K122-G125 PolarHBondContact O-N 2.97Å; K122-G125 VanDerWaalsContact O-N 3.13Å; G125-I127 VanDerWaalsContact C-N 3.33Å; G125-K168 PolarHBondContact O-NZ 3.41Å
126V92.1Very high92.6Very high0 Ų042.8 Ų42.80%024%0.243CC..  trans-67.1-41.5173.2-177.70000109.4C121 C124 D128 L164 K168 V181 I185C121-V126 HydrophobicContact CB-CB 4.05Å; C121-V126 WeakPolarHBondContact O-CB 3.14Å; C121-V126 PolarHBondContact O-N 3.34Å; C124-V126 VanDerWaalsContact C-N 3.28Å; C124-V126 HydrophobicContact CB-CG2 4.22Å; C124-V126 PolarHBondContact O-N 2.79Å; V126-D128 PolarHBondContact O-N 3.44Å; V126-L164 HydrophobicContact CG1-CB 4.31Å; V126-L164 HydrophobicContact CG1-CD1 3.83Å; V126-K168 PolarHBondContact O-NZ 2.99Å; V126-K168 VanDerWaalsContact O-NZ 3.08Å; V126-V181 HydrophobicContact CG1-CG1 4.42Å; V126-V181 HydrophobicContact CG2-CG1 4.35Å; V126-I185 HydrophobicContact CG2-CD1 4.1Å; V126-I185 HydrophobicContact CG2-CG1 4.15Å
127I92.8Very high92.6Very high40 Ų4042.3 Ų42.321%0.20524%0.24CC..  trans-70.8113.2172.9-60.5176.8000108.8C121 K122 G125 V132 L134 V137C121-I127 HydrophobicContact CB-CD1 4.2Å; C121-I127 HydrophobicContact CB-CG1 4.04Å; C121-I127 PolarHBondContact O-N 2.9Å; K122-I127 HydrophobicContact CG-CD1 3.63Å; G125-I127 VanDerWaalsContact C-N 3.33Å; I127-V132 HydrophobicContact CG1-CG1 4.41Å; I127-V132 VanDerWaalsContact CG2-O 3.31Å; I127-V132 WeakPolarHBondContact CG2-O 3.42Å; I127-L134 HydrophobicContact CD1-CD1 4.21Å; I127-V137 HydrophobicContact CD1-CG2 4.01Å; I127-V137 HydrophobicContact CG1-CG2 3.81Å
128D85.9Confident92.6Very high50 Ų5045.6 Ų45.627%0.26726%0.258SS..  trans-93.2-5.8-179.368-8.4000112.9V126 K130 N131 V132V126-D128 PolarHBondContact O-N 3.44Å; D128-K130 PolarHBondContact O-N 2.85Å; D128-K130 PolarHBondContact OD1-N 2.98Å; D128-N131 PolarHBondContact OD1-N 3.25Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 PolarHBondContact OD2-N 3.2Å; D128-N131 PolarHBondContact OD2-ND2 3.44Å; D128-V132 PolarHBondContact OD1-N 2.92Å
129G83.2Confident92.6Very high64 Ų6449.6 Ų49.666%0.6628%0.277SS*.SBendtrans688-176.600000114
130K85.6Confident92.7Very high179 Ų17948 Ų4878%0.77827%0.271SS*.SBendtrans-124.6-63.9-176.1-62.9179.7-176.4-177.40110.9D128D128-K130 PolarHBondContact O-N 2.85Å; D128-K130 PolarHBondContact OD1-N 2.98Å
131N87.4Confident92.7Very high60 Ų6048.8 Ų48.832%0.32128%0.275SS..SBendtrans-100.7-34.6-177.4-58.6-68.9000112.5D128 K167D128-N131 PolarHBondContact OD1-N 3.25Å; D128-N131 WeakPolarHBondContact OD2-CB 3.47Å; D128-N131 PolarHBondContact OD2-N 3.2Å; D128-N131 PolarHBondContact OD2-ND2 3.44Å; N131-K167 WeakPolarHBondContact CB-O 3.26Å; N131-K167 WeakPolarHBondContact O-CE 3.46Å
132V92.6Very high92.8Very high0 Ų052.2 Ų52.20%030%0.299CS..SBendtrans-112.1110.9179177.80000108.3I127 D128 V137 L164 K167 K168I127-V132 HydrophobicContact CG1-CG1 4.41Å; I127-V132 VanDerWaalsContact CG2-O 3.31Å; I127-V132 WeakPolarHBondContact CG2-O 3.42Å; D128-V132 PolarHBondContact OD1-N 2.92Å; V132-V137 HydrophobicContact CG1-CG2 4Å; V132-L164 HydrophobicContact CG1-CD2 3.9Å; V132-K167 HydrophobicContact CG2-CB 4.22Å; V132-K167 HydrophobicContact CG2-CG 4.16Å; V132-K168 HydrophobicContact CG2-CB 3.79Å; V132-K168 HydrophobicContact CG2-CG 4.45Å
133T94.8Very high92.9Very high54 Ų5453.3 Ų53.333%0.33130%0.303SS..  trans-101.9167.7176.468.20000111.5T135 D136 V137T133-T135 PolarHBondContact O-N 3.45Å; T133-D136 WeakPolarHBondContact CB-OD2 3.21Å; T133-D136 PolarHBondContact N-OD2 3.47Å; T133-D136 WeakPolarHBondContact O-CB 3.44Å; T133-D136 PolarHBondContact O-N 3.08Å; T133-D136 VanDerWaalsContact O-N 3.13Å; T133-D136 VanDerWaalsContact OG1-CG 3.25Å; T133-D136 PolarHBondContact OG1-N 3.24Å; T133-D136 PolarHBondContact OG1-OD2 2.98Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.49Å; T133-V137 VanDerWaalsContact O-N 3.14Å
134L94.3Very high93Very high65 Ų6552.1 Ų52.134%0.3430%0.298SS..Hα-helixtrans-58.8-38.7174.5-177.757.9000112.1K122 I127 D136 V137 D138K122-L134 VanDerWaalsContact CE-CD1 3.43Å; I127-L134 HydrophobicContact CD1-CD1 4.21Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 3.02Å; L134-V137 WeakPolarHBondContact O-CB 3.32Å; L134-V137 PolarHBondContact O-N 3.44Å; L134-D138 PolarHBondContact O-N 2.93Å; L134-D138 VanDerWaalsContact O-N 3.07Å
135T95.7Very high93Very high91 Ų9154.3 Ų54.356%0.55831%0.307SS*.Hα-helixtrans-60.4-41175.8-50.40000111.3T133 V137 D138 I139T133-T135 PolarHBondContact O-N 3.45Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 2.78Å; T135-D138 PolarHBondContact O-N 3.04Å; T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 VanDerWaalsContact O-CG1 3.27Å; T135-I139 WeakPolarHBondContact O-CG1 3.44Å; T135-I139 PolarHBondContact O-N 3.26Å
136D94.5Very high93.2Very high23 Ų2359.1 Ų59.112%0.12332%0.317CS..Hα-helixtrans-64-40.8177.3-62.1-53.5000112.1T133 L134 D138 I139 V140 K167T133-D136 WeakPolarHBondContact CB-OD2 3.21Å; T133-D136 PolarHBondContact N-OD2 3.47Å; T133-D136 WeakPolarHBondContact O-CB 3.44Å; T133-D136 PolarHBondContact O-N 3.08Å; T133-D136 VanDerWaalsContact O-N 3.13Å; T133-D136 VanDerWaalsContact OG1-CG 3.25Å; T133-D136 PolarHBondContact OG1-N 3.24Å; T133-D136 PolarHBondContact OG1-OD2 2.98Å; L134-D136 VanDerWaalsContact C-N 3.29Å; L134-D136 PolarHBondContact O-N 3.02Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 3.44Å; D136-I139 PolarHBondContact O-N 3.4Å; D136-V140 WeakPolarHBondContact O-CB 3.25Å; D136-V140 WeakPolarHBondContact O-CG2 3.24Å; D136-V140 PolarHBondContact O-N 3.36Å; D136-K167 HydrophobicContact CB-CD 4.32Å; D136-K167 WeakPolarHBondContact OD1-CE 3.43Å; D136-K167 IonicContact OD1-NZ 2.62Å; D136-K167 PolarHBondContact OD1-NZ 3.12Å; D136-K167 WeakPolarHBondContact OD2-CE 3.27Å; D136-K167 IonicContact OD2-NZ 3.4Å; D136-K167 PolarHBondContact OD2-NZ 3.22Å
137V96.2Very high93.2Very high0 Ų068.9 Ų68.90%036%0.359CS..Hα-helixtrans-59.7-42.4175.9171.60000111W117 C121 I127 V132 T133 L134 T135 F141 L164W117-V137 HydrophobicContact CG-CG1 4.47Å; W117-V137 PolarHBondContact NE1-O 3.35Å; C121-V137 HydrophobicContact CB-CG1 3.92Å; C121-V137 HydrophobicContact CB-CG2 3.95Å; I127-V137 HydrophobicContact CD1-CG2 4.01Å; I127-V137 HydrophobicContact CG1-CG2 3.81Å; V132-V137 HydrophobicContact CG1-CG2 4Å; T133-V137 WeakPolarHBondContact O-CG2 3.42Å; T133-V137 PolarHBondContact O-N 3.49Å; T133-V137 VanDerWaalsContact O-N 3.14Å; L134-V137 WeakPolarHBondContact O-CB 3.32Å; L134-V137 PolarHBondContact O-N 3.44Å; T135-V137 VanDerWaalsContact C-N 3.34Å; T135-V137 PolarHBondContact O-N 2.78Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3.11Å; V137-L164 HydrophobicContact CG2-CD1 4.2Å; V137-L164 HydrophobicContact CG2-CD2 4.29Å
138D95.8Very high93.1Very high69 Ų6972.8 Ų72.837%0.36939%0.391SS..Hα-helixtrans-72.9-34.5178.8-66.3-26.8000112.6S118 L134 T135 D136 S142S118-D138 PolarHBondContact OG-OD1 3.39Å; L134-D138 PolarHBondContact O-N 2.93Å; L134-D138 VanDerWaalsContact O-N 3.07Å; T135-D138 PolarHBondContact O-N 3.04Å; D136-D138 VanDerWaalsContact C-N 3.3Å; D136-D138 PolarHBondContact O-N 3.44Å; D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 3.21Å; D138-S142 PolarHBondContact O-OG 3.25Å
139I96.1Very high93.4Very high98 Ų9872.8 Ų72.850%0.50339%0.394SS..Hα-helixtrans-64.5-50.2172.9-71166.3000110.2T135 D136 F141 S142 K143T135-I139 HydrophobicContact CG2-CD1 3.99Å; T135-I139 VanDerWaalsContact O-CG1 3.27Å; T135-I139 WeakPolarHBondContact O-CG1 3.44Å; T135-I139 PolarHBondContact O-N 3.26Å; D136-I139 PolarHBondContact O-N 3.4Å; I139-F141 VanDerWaalsContact C-N 3.31Å; I139-F141 PolarHBondContact O-N 3.23Å; I139-S142 PolarHBondContact O-N 3.23Å; I139-S142 VanDerWaalsContact O-N 3.09Å; I139-K143 WeakPolarHBondContact O-CB 3.32Å; I139-K143 PolarHBondContact O-N 3.19Å
140V96.6Very high93.9Very high12 Ų1279 Ų797%0.07340%0.397CS..Hα-helixtrans-59.6-44.9179.1168.60000110.3W117 D136 S142 K143 V144 A160 E163 L164W117-V140 HydrophobicContact CZ2-CG1 4.36Å; D136-V140 WeakPolarHBondContact O-CB 3.25Å; D136-V140 WeakPolarHBondContact O-CG2 3.24Å; D136-V140 PolarHBondContact O-N 3.36Å; V140-S142 VanDerWaalsContact C-N 3.28Å; V140-S142 PolarHBondContact O-N 3.26Å; V140-K143 WeakPolarHBondContact O-CB 3.44Å; V140-K143 PolarHBondContact O-N 3.36Å; V140-K143 VanDerWaalsContact O-N 3.1Å; V140-V144 HydrophobicContact CG1-CG1 4.36Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.45Å; V140-A160 HydrophobicContact CG1-CB 3.81Å; V140-E163 HydrophobicContact CG1-CB 3.93Å; V140-E163 HydrophobicContact CG1-CG 4.34Å; V140-E163 HydrophobicContact CG2-CB 4.03Å; V140-L164 HydrophobicContact CB-CD2 4.34Å; V140-L164 HydrophobicContact CG1-CG 4.41Å; V140-L164 HydrophobicContact CG2-CD2 3.88Å; V140-L164 HydrophobicContact CG2-CG 4.45Å
141F96.9Very high94.4Very high15 Ų1572.8 Ų72.87%0.06638%0.375CS..Hα-helixtrans-55.1-46.3174.6-175.4-95.3000111.9G114 W117 V137 I139 K143 K145 I152G114-F141 VanDerWaalsContact CA-CE2 3.46Å; W117-F141 HydrophobicContact CB-CD2 3.86Å; W117-F141 HydrophobicContact CB-CE2 4.11Å; W117-F141 AromaticContact CD1-CD2 3.55Å; W117-F141 AromaticContact CD1-CG 3.92Å; W117-F141 HydrophobicContact CD2-CD2 4.49Å; W117-F141 AromaticContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CD2 3.69Å; W117-F141 HydrophobicContact CG-CE2 4.42Å; W117-F141 HydrophobicContact CG-CG 4.49Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3.11Å; I139-F141 VanDerWaalsContact C-N 3.31Å; I139-F141 PolarHBondContact O-N 3.23Å; F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.13Å; F141-K145 HydrophobicContact CD1-CD 3.65Å; F141-K145 HydrophobicContact CE1-CD 3.42Å; F141-K145 VanDerWaalsContact CE1-CD 3.42Å; F141-K145 HydrophobicContact CZ-CD 4.28Å; F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 WeakPolarHBondContact O-CD 3.25Å; F141-K145 VanDerWaalsContact O-CG 3.31Å; F141-K145 WeakPolarHBondContact O-CG 3.45Å; F141-K145 PolarHBondContact O-N 2.85Å; F141-K145 VanDerWaalsContact O-N 3.15Å; F141-I152 HydrophobicContact CD2-CD1 3.88Å; F141-I152 HydrophobicContact CD2-CG1 4.36Å; F141-I152 HydrophobicContact CD2-CG2 3.96Å; F141-I152 HydrophobicContact CE2-CB 4.17Å; F141-I152 HydrophobicContact CE2-CD1 3.78Å; F141-I152 HydrophobicContact CE2-CG1 3.76Å; F141-I152 HydrophobicContact CE2-CG2 3.51Å; F141-I152 HydrophobicContact CZ-CG2 3.88Å
142S96.4Very high94.8Very high73 Ų7370 Ų7051%0.5136%0.36SS..Hα-helixtrans-68.3-26-179.3-61.20000113.6D138 I139 V140D138-S142 WeakPolarHBondContact O-CB 3.32Å; D138-S142 PolarHBondContact O-N 3.21Å; D138-S142 PolarHBondContact O-OG 3.25Å; I139-S142 PolarHBondContact O-N 3.23Å; I139-S142 VanDerWaalsContact O-N 3.09Å; V140-S142 VanDerWaalsContact C-N 3.28Å; V140-S142 PolarHBondContact O-N 3.26Å
143K95.5Very high95Very high134 Ų13472.2 Ų72.258%0.58337%0.373SS*.Hα-helixtrans-80.3-41.9178.7-176.7177.1167.5-155.30112.9I139 V140 F141 E163I139-K143 WeakPolarHBondContact O-CB 3.32Å; I139-K143 PolarHBondContact O-N 3.19Å; V140-K143 WeakPolarHBondContact O-CB 3.44Å; V140-K143 PolarHBondContact O-N 3.36Å; V140-K143 VanDerWaalsContact O-N 3.1Å; F141-K143 VanDerWaalsContact C-N 3.25Å; F141-K143 PolarHBondContact O-N 3.13Å; K143-E163 WeakPolarHBondContact CD-OE2 3.37Å; K143-E163 WeakPolarHBondContact CE-OE1 3.39Å; K143-E163 IonicContact NZ-OE1 2.68Å; K143-E163 PolarHBondContact NZ-OE1 3.21Å; K143-E163 IonicContact NZ-OE2 3.35Å; K143-E163 PolarHBondContact NZ-OE2 3.21Å
144V95.9Very high95Very high23 Ų2371.6 Ų71.614%0.13937%0.366CS..Hα-helixtrans-80.9-28.9-177.6-58.80000113.1V140 I152 V159 A160V140-V144 HydrophobicContact CG1-CG1 4.36Å; V140-V144 WeakPolarHBondContact O-CG2 3.38Å; V140-V144 PolarHBondContact O-N 3.45Å; V144-I152 HydrophobicContact CG2-CG2 4.01Å; V144-V159 HydrophobicContact CG1-CG1 4.1Å; V144-A160 HydrophobicContact CG1-CB 4.05Å; V144-A160 HydrophobicContact CG2-CB 3.99Å
145K95.2Very high95Very high53 Ų5375.3 Ų75.323%0.2338%0.382CS..SBendtrans-71.4145.9179.877.9-167-178.1105.50110.5F141 C149 I152F141-K145 HydrophobicContact CD1-CD 3.65Å; F141-K145 HydrophobicContact CE1-CD 3.42Å; F141-K145 VanDerWaalsContact CE1-CD 3.42Å; F141-K145 HydrophobicContact CZ-CD 4.28Å; F141-K145 WeakPolarHBondContact O-CB 3.48Å; F141-K145 WeakPolarHBondContact O-CD 3.25Å; F141-K145 VanDerWaalsContact O-CG 3.31Å; F141-K145 WeakPolarHBondContact O-CG 3.45Å; F141-K145 PolarHBondContact O-N 2.85Å; F141-K145 VanDerWaalsContact O-N 3.15Å; K145-C149 PolarHBondContact NZ-O 2.83Å; K145-I152 HydrophobicContact CB-CG2 3.52Å
146K93.6Very high95Very high138 Ų13872.3 Ų72.360%0.636%0.361SS*.PPolyproline II helixtrans-60.2146.2170.3-67172.3-172.1175.10111.1S148 C149 E156K146-S148 PolarHBondContact O-N 3.44Å; K146-C149 HydrophobicContact CB-CB 4.31Å; K146-C149 WeakPolarHBondContact O-CB 3.37Å; K146-C149 PolarHBondContact O-N 3.18Å; K146-E156 WeakPolarHBondContact CE-OE1 3.48Å
147K92.6Very high95.1Very high205 Ų20571.2 Ų71.289%0.89136%0.355SS*.THydrogen-bonded Turntrans-53.4138.7175.8-68.7-162.1-68.9-176.60109.8C149K147-C149 PolarHBondContact O-N 2.94Å; K147-C149 VanDerWaalsContact O-N 3.16Å
148S90.4Very high95Very high123 Ų12375.6 Ų75.686%0.8638%0.375SS*.THydrogen-bonded Turntrans67.8-5.8-176-162.70000116.9K146K146-S148 PolarHBondContact O-N 3.44Å
149C92.7Very high95Very high50 Ų5076.3 Ų76.334%0.33838%0.381SS..  trans-79146.7173.1-69.30000111.5K145 K146 K147K145-C149 PolarHBondContact NZ-O 2.83Å; K146-C149 HydrophobicContact CB-CB 4.31Å; K146-C149 WeakPolarHBondContact O-CB 3.37Å; K146-C149 PolarHBondContact O-N 3.18Å; K147-C149 PolarHBondContact O-N 2.94Å; K147-C149 VanDerWaalsContact O-N 3.16Å
150R93.9Very high95Very high194 Ų19471.6 Ų71.673%0.73236%0.357SS*.SBendtrans-101.8-8.2176.2-67.8-175170.6107.7-1.6113.1
151T95.4Very high94.9Very high49 Ų4971 Ų7130%0.30135%0.354SS..EExtended strand (participates in β ladder)trans-130.6161.1-175.154.50000110.1D111 M112 H113D111-T151 HydrophobicContact CB-CG2 4.45Å; M112-T151 CarbonylContact O-C 3.5Å; M112-T151 WeakPolarHBondContact O-CA 3.28Å; M112-T151 WeakPolarHBondContact O-CB 3.43Å; H113-T151 HydrophobicContact CB-CG2 4.33Å
152I96.2Very high94.7Very high1 Ų170.4 Ų70.41%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-120.3148.3172.761.6178.5000110.4D111 M112 W117 F141 V144 K145 E156 F157D111-I152 CarbonylContact C-O 3.52Å; D111-I152 VanDerWaalsContact CA-O 3.26Å; D111-I152 WeakPolarHBondContact CA-O 3.42Å; M112-I152 HydrophobicContact CB-CG1 4.26Å; M112-I152 PolarHBondContact N-O 3.42Å; M112-I152 PolarHBondContact O-N 3.16Å; W117-I152 HydrophobicContact CE3-CD1 4.42Å; F141-I152 HydrophobicContact CD2-CD1 3.88Å; F141-I152 HydrophobicContact CD2-CG1 4.36Å; F141-I152 HydrophobicContact CD2-CG2 3.96Å; F141-I152 HydrophobicContact CE2-CB 4.17Å; F141-I152 HydrophobicContact CE2-CD1 3.78Å; F141-I152 HydrophobicContact CE2-CG1 3.76Å; F141-I152 HydrophobicContact CE2-CG2 3.51Å; F141-I152 HydrophobicContact CZ-CG2 3.88Å; V144-I152 HydrophobicContact CG2-CG2 4.01Å; K145-I152 HydrophobicContact CB-CG2 3.52Å; I152-E156 WeakPolarHBondContact CA-OE2 3.44Å; I152-E156 HydrophobicContact CB-CB 4.04Å; I152-E156 HydrophobicContact CG2-CB 4.47Å; I152-F157 HydrophobicContact CD1-CB 4.09Å; I152-F157 HydrophobicContact CD1-CD2 4.44Å
153T96.4Very high94.5Very high46 Ų4668.5 Ų68.528%0.28233%0.334SS..EExtended strand (participates in β ladder)trans-82172.2173.470.90000111.3E155 E156 F157T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.3Å; T153-E155 PolarHBondContact OG1-N 2.91Å; T153-E156 PolarHBondContact N-OE2 3.4Å; T153-E156 PolarHBondContact O-N 2.94Å; T153-E156 PolarHBondContact OG1-N 3.33Å; T153-F157 VanDerWaalsContact O-CB 3.32Å; T153-F157 WeakPolarHBondContact O-CB 3.37Å; T153-F157 PolarHBondContact O-N 3.26Å
154F95.1Very high94.4Very high41 Ų4162.1 Ų62.118%0.1831%0.306CS..Hα-helixtrans-61.4-33.4175.5-177.8-115.9000113.3L92 E93 F96 F157 K158L92-F154 HydrophobicContact CG-CE2 4.39Å; E93-F154 HydrophobicContact CB-CD2 4.34Å; E93-F154 HydrophobicContact CB-CE1 4.16Å; E93-F154 HydrophobicContact CB-CE2 3.75Å; E93-F154 HydrophobicContact CB-CZ 3.64Å; E93-F154 HydrophobicContact CG-CD1 4.31Å; E93-F154 HydrophobicContact CG-CD2 4.07Å; E93-F154 HydrophobicContact CG-CE1 4.23Å; E93-F154 HydrophobicContact CG-CE2 3.99Å; E93-F154 HydrophobicContact CG-CG 4.23Å; E93-F154 HydrophobicContact CG-CZ 4.07Å; F96-F154 HydrophobicContact CB-CD2 3.95Å; F96-F154 HydrophobicContact CB-CE2 4.17Å; F96-F154 HydrophobicContact CD1-CB 4.42Å; F96-F154 HydrophobicContact CD1-CD2 4.07Å; F96-F154 AromaticContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CD2-CD2 3.99Å; F96-F154 HydrophobicContact CE1-CB 4.21Å; F96-F154 AromaticContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CD2 3.74Å; F96-F154 HydrophobicContact CG-CE2 4.45Å; F96-F154 HydrophobicContact CZ-CB 4.31Å; F154-F157 AromaticContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CE1 4.5Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.21Å; F154-F157 WeakPolarHBondContact O-CB 3.44Å; F154-F157 PolarHBondContact O-N 3.18Å; F154-K158 HydrophobicContact CE1-CD 3.96Å; F154-K158 HydrophobicContact CE1-CG 4.38Å; F154-K158 HydrophobicContact CE2-CG 4.45Å; F154-K158 HydrophobicContact CZ-CD 4.09Å; F154-K158 HydrophobicContact CZ-CG 4.19Å; F154-K158 PolarHBondContact O-N 3.36Å; F154-K158 VanDerWaalsContact O-N 3.11Å
155E94.7Very high94.2Very high143 Ų14361 Ų6167%0.66830%0.3SS*.Hα-helixtrans-67.9-48.1177.7-173.4175.3-166.300111.4T153 F157 K158 V159T153-E155 VanDerWaalsContact C-N 3.26Å; T153-E155 PolarHBondContact O-N 3.3Å; T153-E155 PolarHBondContact OG1-N 2.91Å; E155-F157 PolarHBondContact O-N 3.48Å; E155-K158 PolarHBondContact O-N 3.35Å; E155-V159 PolarHBondContact O-N 3.23Å
156E95.8Very high94Very high28 Ų2864.5 Ų64.513%0.13131%0.311CS..Hα-helixtrans-62.3-34.4175.6-67168.5169.400111.3K146 I152 T153 V159 A160K146-E156 WeakPolarHBondContact CE-OE1 3.48Å; I152-E156 WeakPolarHBondContact CA-OE2 3.44Å; I152-E156 HydrophobicContact CB-CB 4.04Å; I152-E156 HydrophobicContact CG2-CB 4.47Å; T153-E156 PolarHBondContact N-OE2 3.4Å; T153-E156 PolarHBondContact O-N 2.94Å; T153-E156 PolarHBondContact OG1-N 3.33Å; E156-V159 PolarHBondContact O-N 3.44Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.13Å
157F96.1Very high93.9Very high0 Ų061.6 Ų61.60%030%0.299CS..Hα-helixtrans-62.4-44.3173.7168-97.6000113L92 F96 M112 W117 L120 I152 T153 F154 E155 V159 A160 L161 I185L92-F157 HydrophobicContact CD1-CE1 4.07Å; L92-F157 HydrophobicContact CD1-CZ 4.41Å; L92-F157 HydrophobicContact CG-CE1 4.16Å; F96-F157 HydrophobicContact CB-CE1 4.25Å; F96-F157 HydrophobicContact CB-CZ 4.49Å; F96-F157 HydrophobicContact CD2-CB 3.86Å; F96-F157 AromaticContact CD2-CD1 3.69Å; F96-F157 HydrophobicContact CD2-CD1 3.69Å; F96-F157 AromaticContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CD2 3.74Å; F96-F157 HydrophobicContact CD2-CE1 4.08Å; F96-F157 HydrophobicContact CD2-CE2 4.13Å; F96-F157 AromaticContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CG 3.49Å; F96-F157 VanDerWaalsContact CD2-CG 3.49Å; F96-F157 HydrophobicContact CD2-CZ 4.28Å; F96-F157 HydrophobicContact CE2-CB 3.68Å; F96-F157 HydrophobicContact CE2-CD1 4.39Å; F96-F157 HydrophobicContact CE2-CD2 4.13Å; F96-F157 AromaticContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CE2-CG 3.84Å; F96-F157 HydrophobicContact CG-CD1 4.47Å; M112-F157 HydrophobicContact CE-CD2 4.14Å; M112-F157 HydrophobicContact CE-CE2 4.08Å; W117-F157 AromaticContact CE3-CD2 3.67Å; W117-F157 HydrophobicContact CE3-CD2 3.67Å; W117-F157 AromaticContact CE3-CE2 3.74Å; W117-F157 HydrophobicContact CE3-CE2 3.74Å; W117-F157 AromaticContact CZ3-CD2 3.44Å; W117-F157 HydrophobicContact CZ3-CD2 3.44Å; W117-F157 VanDerWaalsContact CZ3-CD2 3.44Å; W117-F157 AromaticContact CZ3-CE2 3.43Å; W117-F157 HydrophobicContact CZ3-CE2 3.43Å; W117-F157 VanDerWaalsContact CZ3-CE2 3.43Å; L120-F157 HydrophobicContact CD1-CE2 3.73Å; L120-F157 HydrophobicContact CD1-CZ 3.93Å; L120-F157 HydrophobicContact CD2-CE2 4.15Å; L120-F157 HydrophobicContact CD2-CZ 4.4Å; I152-F157 HydrophobicContact CD1-CB 4.09Å; I152-F157 HydrophobicContact CD1-CD2 4.44Å; T153-F157 VanDerWaalsContact O-CB 3.32Å; T153-F157 WeakPolarHBondContact O-CB 3.37Å; T153-F157 PolarHBondContact O-N 3.26Å; F154-F157 AromaticContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CD1 3.92Å; F154-F157 HydrophobicContact CD2-CE1 4.5Å; F154-F157 AromaticContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CD1 3.98Å; F154-F157 HydrophobicContact CE2-CE1 4.21Å; F154-F157 WeakPolarHBondContact O-CB 3.44Å; F154-F157 PolarHBondContact O-N 3.18Å; E155-F157 PolarHBondContact O-N 3.48Å; F157-V159 VanDerWaalsContact C-N 3.32Å; F157-V159 PolarHBondContact O-N 2.88Å; F157-A160 VanDerWaalsContact O-CB 3.32Å; F157-A160 WeakPolarHBondContact O-CB 3.48Å; F157-A160 PolarHBondContact O-N 2.95Å; F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CE1-CD1 3.43Å; F157-L161 VanDerWaalsContact CE1-CD1 3.43Å; F157-L161 HydrophobicContact CE1-CG 4.28Å; F157-L161 HydrophobicContact CE2-CD1 4.14Å; F157-L161 HydrophobicContact CE2-CD2 4.4Å; F157-L161 HydrophobicContact CE2-CG 4.28Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CD2 4.41Å; F157-L161 HydrophobicContact CZ-CG 4.12Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 3.42Å; F157-I185 HydrophobicContact CZ-CG2 4.5Å
158K93.9Very high93.6Very high93 Ų9353.1 Ų53.140%0.40426%0.262SS..Hα-helixtrans-61.4-42.5175.6-70.3-173.6-62172.70111.5F154 E155 A160 L161 G162F154-K158 HydrophobicContact CE1-CD 3.96Å; F154-K158 HydrophobicContact CE1-CG 4.38Å; F154-K158 HydrophobicContact CE2-CG 4.45Å; F154-K158 HydrophobicContact CZ-CD 4.09Å; F154-K158 HydrophobicContact CZ-CG 4.19Å; F154-K158 PolarHBondContact O-N 3.36Å; F154-K158 VanDerWaalsContact O-N 3.11Å; E155-K158 PolarHBondContact O-N 3.35Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.03Å; K158-L161 PolarHBondContact O-N 3.41Å; K158-G162 PolarHBondContact O-N 2.72Å
159V95.3Very high93.5Very high83 Ų8349.8 Ų49.850%0.50323%0.231SC..Hα-helixtrans-61-42.5175.5177.80000111V144 E155 E156 F157 L161 G162 E163V144-V159 HydrophobicContact CG1-CG1 4.1Å; E155-V159 PolarHBondContact O-N 3.23Å; E156-V159 PolarHBondContact O-N 3.44Å; F157-V159 VanDerWaalsContact C-N 3.32Å; F157-V159 PolarHBondContact O-N 2.88Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 2.89Å; V159-G162 PolarHBondContact O-N 3.14Å; V159-E163 WeakPolarHBondContact O-CG 3.22Å; V159-E163 PolarHBondContact O-N 3.36Å
160A95.7Very high93Very high0 Ų054.3 Ų54.30%025%0.245CC..Hα-helixtrans-59.6-43.2176.600000112.3W117 V140 V144 E156 F157 K158 G162 E163 L164W117-A160 HydrophobicContact CH2-CB 3.51Å; W117-A160 HydrophobicContact CZ2-CB 3.76Å; W117-A160 HydrophobicContact CZ3-CB 4.2Å; V140-A160 HydrophobicContact CG1-CB 3.81Å; V144-A160 HydrophobicContact CG1-CB 4.05Å; V144-A160 HydrophobicContact CG2-CB 3.99Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 3.13Å; F157-A160 VanDerWaalsContact O-CB 3.32Å; F157-A160 WeakPolarHBondContact O-CB 3.48Å; F157-A160 PolarHBondContact O-N 2.95Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.03Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-E163 PolarHBondContact O-N 3.49Å; A160-L164 PolarHBondContact O-N 3.31Å
161L94.2Very high92.5Very high0 Ų054 Ų540%025%0.251CS..Hα-helixtrans-64.9-37.7176.8-69.2-179.4000111.9L92 W117 F157 K158 V159 E163 L164 A165 V181 F182 I185L92-L161 HydrophobicContact CD1-CD1 4.23Å; W117-L161 HydrophobicContact CH2-CD2 3.68Å; W117-L161 HydrophobicContact CH2-CG 4.21Å; W117-L161 HydrophobicContact CZ3-CD2 3.73Å; W117-L161 HydrophobicContact CZ3-CG 4.2Å; F157-L161 HydrophobicContact CD1-CD1 4.07Å; F157-L161 HydrophobicContact CE1-CD1 3.43Å; F157-L161 VanDerWaalsContact CE1-CD1 3.43Å; F157-L161 HydrophobicContact CE1-CG 4.28Å; F157-L161 HydrophobicContact CE2-CD1 4.14Å; F157-L161 HydrophobicContact CE2-CD2 4.4Å; F157-L161 HydrophobicContact CE2-CG 4.28Å; F157-L161 HydrophobicContact CZ-CD1 3.49Å; F157-L161 VanDerWaalsContact CZ-CD1 3.49Å; F157-L161 HydrophobicContact CZ-CD2 4.41Å; F157-L161 HydrophobicContact CZ-CG 4.12Å; F157-L161 WeakPolarHBondContact O-CG 3.37Å; F157-L161 PolarHBondContact O-N 3.42Å; K158-L161 PolarHBondContact O-N 3.41Å; V159-L161 VanDerWaalsContact C-N 3.33Å; V159-L161 PolarHBondContact O-N 2.89Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.3Å; L161-A165 PolarHBondContact O-N 3.09Å; L161-V181 HydrophobicContact CB-CG1 4.35Å; L161-V181 HydrophobicContact CD2-CG1 3.8Å; L161-F182 HydrophobicContact CB-CD1 4.34Å; L161-F182 HydrophobicContact CB-CE1 3.69Å; L161-F182 HydrophobicContact CD1-CD1 3.67Å; L161-F182 HydrophobicContact CD1-CE1 3.54Å; L161-F182 HydrophobicContact CG-CE1 4.29Å; L161-I185 HydrophobicContact CD1-CD1 3.66Å; L161-I185 HydrophobicContact CD2-CD1 3.37Å; L161-I185 HydrophobicContact CG-CD1 4.19Å
162G92.7Very high91.9Very high1 Ų155.9 Ų55.91%0.0126%0.256CS..Hα-helixtrans-60.7-41171.500000113.3K158 V159 A160 L164 A165 R166 E178K158-G162 PolarHBondContact O-N 2.72Å; V159-G162 PolarHBondContact O-N 3.14Å; A160-G162 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 3.46Å; G162-A165 PolarHBondContact O-N 2.8Å; G162-R166 VanDerWaalsContact C-NH1 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.46Å; G162-R166 PolarHBondContact O-N 3.21Å; G162-R166 VanDerWaalsContact O-N 3.12Å; G162-R166 PolarHBondContact O-NH1 2.75Å; G162-E178 VanDerWaalsContact CA-OE1 3.25Å; G162-E178 WeakPolarHBondContact CA-OE1 3.27Å
163E93.8Very high91.3Very high34 Ų3460.1 Ų60.116%0.15928%0.281CS..Hα-helixtrans-63.1-42.4174.8-54.6-133.3139.300112.5V140 K143 V159 A160 L161 R166 K167V140-E163 HydrophobicContact CG1-CB 3.93Å; V140-E163 HydrophobicContact CG1-CG 4.34Å; V140-E163 HydrophobicContact CG2-CB 4.03Å; K143-E163 WeakPolarHBondContact CD-OE2 3.37Å; K143-E163 WeakPolarHBondContact CE-OE1 3.39Å; K143-E163 IonicContact NZ-OE1 2.68Å; K143-E163 PolarHBondContact NZ-OE1 3.21Å; K143-E163 IonicContact NZ-OE2 3.35Å; K143-E163 PolarHBondContact NZ-OE2 3.21Å; V159-E163 WeakPolarHBondContact O-CG 3.22Å; V159-E163 PolarHBondContact O-N 3.36Å; A160-E163 PolarHBondContact O-N 3.49Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E163 PolarHBondContact O-N 3.28Å; E163-R166 IonicContact OE1-NH2 3.25Å; E163-K167 PolarHBondContact O-N 3.16Å
164L92.8Very high90.5Very high0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-70-36.9177-68.3-176.6000112.3W117 V126 V132 V137 V140 A160 L161 G162 K167 K168W117-L164 HydrophobicContact CH2-CD1 3.7Å; W117-L164 HydrophobicContact CZ2-CD1 3.44Å; W117-L164 VanDerWaalsContact CZ2-CD1 3.44Å; W117-L164 HydrophobicContact CZ2-CG 4.29Å; V126-L164 HydrophobicContact CG1-CB 4.31Å; V126-L164 HydrophobicContact CG1-CD1 3.83Å; V132-L164 HydrophobicContact CG1-CD2 3.9Å; V137-L164 HydrophobicContact CG2-CD1 4.2Å; V137-L164 HydrophobicContact CG2-CD2 4.29Å; V140-L164 HydrophobicContact CB-CD2 4.34Å; V140-L164 HydrophobicContact CG1-CG 4.41Å; V140-L164 HydrophobicContact CG2-CD2 3.88Å; V140-L164 HydrophobicContact CG2-CG 4.45Å; A160-L164 PolarHBondContact O-N 3.31Å; L161-L164 PolarHBondContact O-N 3.01Å; G162-L164 PolarHBondContact O-N 3.46Å; L164-K167 PolarHBondContact O-N 3.13Å; L164-K168 VanDerWaalsContact O-CB 3.28Å; L164-K168 WeakPolarHBondContact O-CB 3.24Å; L164-K168 PolarHBondContact O-N 2.91Å
165A92.6Very high90Very high0 Ų065.5 Ų65.50%031%0.313CS..Hα-helixtrans-60.6-4917800000111.4L161 G162 K167 K168 Y169 A177 E178 V181L161-A165 VanDerWaalsContact O-CB 3.24Å; L161-A165 WeakPolarHBondContact O-CB 3.3Å; L161-A165 PolarHBondContact O-N 3.09Å; G162-A165 PolarHBondContact O-N 2.8Å; A165-K167 PolarHBondContact O-N 3.43Å; A165-K168 PolarHBondContact O-N 2.78Å; A165-Y169 PolarHBondContact O-N 3.04Å; A165-A177 HydrophobicContact CB-CB 4.01Å; A165-E178 HydrophobicContact CB-CB 4.42Å; A165-E178 HydrophobicContact CB-CG 3.73Å; A165-V181 HydrophobicContact CB-CB 4.48Å; A165-V181 HydrophobicContact CB-CG2 3.85Å
166R90.8Very high89.6Confident126 Ų12663.3 Ų63.348%0.47531%0.306SS..Hα-helixtrans-60.2-35.1175.5-67.5-172.1-57-89.56.1112.6G162 E163 E178G162-R166 VanDerWaalsContact C-NH1 3.34Å; G162-R166 WeakPolarHBondContact O-CG 3.46Å; G162-R166 PolarHBondContact O-N 3.21Å; G162-R166 VanDerWaalsContact O-N 3.12Å; G162-R166 PolarHBondContact O-NH1 2.75Å; E163-R166 IonicContact OE1-NH2 3.25Å; R166-E178 IonicContact NH1-OE1 2.94Å
167K90.1Very high89.3Confident77 Ų7762 Ų6234%0.33530%0.3SS..Hα-helixtrans-75.1-36.7178-171.4163.5179.9148.10112.4N131 V132 D136 E163 L164 A165N131-K167 WeakPolarHBondContact CB-O 3.26Å; N131-K167 WeakPolarHBondContact O-CE 3.46Å; V132-K167 HydrophobicContact CG2-CB 4.22Å; V132-K167 HydrophobicContact CG2-CG 4.16Å; D136-K167 HydrophobicContact CB-CD 4.32Å; D136-K167 WeakPolarHBondContact OD1-CE 3.43Å; D136-K167 IonicContact OD1-NZ 2.62Å; D136-K167 PolarHBondContact OD1-NZ 3.12Å; D136-K167 WeakPolarHBondContact OD2-CE 3.27Å; D136-K167 IonicContact OD2-NZ 3.4Å; D136-K167 PolarHBondContact OD2-NZ 3.22Å; E163-K167 PolarHBondContact O-N 3.16Å; L164-K167 PolarHBondContact O-N 3.13Å; A165-K167 PolarHBondContact O-N 3.43Å
168K87.9Confident89Confident27 Ų2764.7 Ų64.712%0.11731%0.313CS..Hα-helixtrans-75.9-43.2-179-172.4172-178.9161.30112.9G125 V126 V132 L164 A165G125-K168 PolarHBondContact O-NZ 3.41Å; V126-K168 PolarHBondContact O-NZ 2.99Å; V126-K168 VanDerWaalsContact O-NZ 3.08Å; V132-K168 HydrophobicContact CG2-CB 3.79Å; V132-K168 HydrophobicContact CG2-CG 4.45Å; L164-K168 VanDerWaalsContact O-CB 3.28Å; L164-K168 WeakPolarHBondContact O-CB 3.24Å; L164-K168 PolarHBondContact O-N 2.91Å; A165-K168 PolarHBondContact O-N 2.78Å
169Y87.7Confident88.8Confident53 Ų5362.9 Ų62.921%0.20832%0.315CS..  trans-115.871.8-175.5-59.1-75.5000110.9A165 E171 K172 A177 E180 V181A165-Y169 PolarHBondContact O-N 3.04Å; Y169-E171 PolarHBondContact O-N 3.29Å; Y169-K172 HydrophobicContact CD1-CD 4.09Å; Y169-K172 HydrophobicContact CG-CD 4.28Å; Y169-K172 PolarHBondContact O-N 3.19Å; Y169-A177 HydrophobicContact CD2-CB 3.9Å; Y169-A177 HydrophobicContact CG-CB 4.19Å; Y169-E180 HydrophobicContact CE2-CB 3.85Å; Y169-V181 HydrophobicContact CD2-CG2 4.43Å; Y169-V181 HydrophobicContact CE2-CG2 3.9Å
170K82.8Confident88.6Confident144 Ų14462.3 Ų62.363%0.62631%0.307SS*.THydrogen-bonded Turntrans-63.8-24.2-179.2-63.7179.7-177.71720114.1
171E81.8Confident88.4Confident187 Ų18762.3 Ų62.387%0.87431%0.307SS*.THydrogen-bonded Turntrans-93.4-5.8-176.1-53.7-59.9149.900113.6Y169Y169-E171 PolarHBondContact O-N 3.29Å
172K83.7Confident88.3Confident90 Ų9064.3 Ų64.339%0.39132%0.316SS..SBendtrans-105.5158.3-178.9-65.2-172.1177.2-1730111Y169 A177 E180Y169-K172 HydrophobicContact CD1-CD 4.09Å; Y169-K172 HydrophobicContact CG-CD 4.28Å; Y169-K172 PolarHBondContact O-N 3.19Å; K172-A177 HydrophobicContact CB-CB 4.49Å; K172-E180 IonicContact NZ-OE1 2.67Å; K172-E180 PolarHBondContact NZ-OE1 2.86Å
173T82.9Confident88.3Confident89 Ų8971.5 Ų71.555%0.54635%0.347SS..  trans-60.2144166.4410000110E175 D176 A177T173-E175 PolarHBondContact O-N 3.47Å; T173-D176 PolarHBondContact O-N 3.32Å; T173-D176 PolarHBondContact OG1-OD2 2.93Å; T173-A177 WeakPolarHBondContact O-CB 3.27Å; T173-A177 PolarHBondContact O-N 3.04Å
174G80.2Confident88.2Confident35 Ų3572.7 Ų72.736%0.36135%0.354SS..Hα-helixtrans-57.2-36.1-173.400000113.7E178G174-E178 VanDerWaalsContact O-CG 3.32Å; G174-E178 WeakPolarHBondContact O-CG 3.42Å; G174-E178 PolarHBondContact O-N 3Å; G174-E178 VanDerWaalsContact O-N 3.08Å
175E84.3Confident88.2Confident165 Ų16572.7 Ų72.777%0.77135%0.354SS*.Hα-helixtrans-69.1-45179.6-66.2170.8177.900112.2T173 A177 E178 A179T173-E175 PolarHBondContact O-N 3.47Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.04Å; E175-E178 PolarHBondContact O-N 2.75Å; E175-A179 PolarHBondContact O-N 2.86Å
176D87.2Confident88.2Confident98 Ų9876.8 Ų76.852%0.52437%0.373SS..Hα-helixtrans-66.3-36.9176.5-76.7-9.6000111.6T173 E178 A179 E180T173-D176 PolarHBondContact O-N 3.32Å; T173-D176 PolarHBondContact OG1-OD2 2.93Å; D176-E178 VanDerWaalsContact C-N 3.33Å; D176-A179 PolarHBondContact O-N 2.93Å; D176-E180 VanDerWaalsContact O-CG 3.27Å; D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 3.5Å; D176-E180 VanDerWaalsContact O-N 3.13Å
177A89.6Confident88Confident0 Ų073 Ų730%037%0.373CS..Hα-helixtrans-62.1-41.5175.100000111.7A165 Y169 K172 T173 E175 V181A165-A177 HydrophobicContact CB-CB 4.01Å; Y169-A177 HydrophobicContact CD2-CB 3.9Å; Y169-A177 HydrophobicContact CG-CB 4.19Å; K172-A177 HydrophobicContact CB-CB 4.49Å; T173-A177 WeakPolarHBondContact O-CB 3.27Å; T173-A177 PolarHBondContact O-N 3.04Å; E175-A177 VanDerWaalsContact C-N 3.32Å; E175-A177 PolarHBondContact O-N 3.04Å; A177-V181 WeakPolarHBondContact O-CG2 3.29Å; A177-V181 PolarHBondContact O-N 3.38Å
178E89.6Confident88.1Confident57 Ų5774.3 Ų74.327%0.26638%0.379SS..Hα-helixtrans-66.3-45.3178-78.9177.7-160.800111.7G162 A165 R166 G174 E175 D176 E180 V181 F182G162-E178 VanDerWaalsContact CA-OE1 3.25Å; G162-E178 WeakPolarHBondContact CA-OE1 3.27Å; A165-E178 HydrophobicContact CB-CB 4.42Å; A165-E178 HydrophobicContact CB-CG 3.73Å; R166-E178 IonicContact NH1-OE1 2.94Å; G174-E178 VanDerWaalsContact O-CG 3.32Å; G174-E178 WeakPolarHBondContact O-CG 3.42Å; G174-E178 PolarHBondContact O-N 3Å; G174-E178 VanDerWaalsContact O-N 3.08Å; E175-E178 PolarHBondContact O-N 2.75Å; D176-E178 VanDerWaalsContact C-N 3.33Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.88Å; E178-V181 PolarHBondContact O-N 3.47Å; E178-V181 VanDerWaalsContact O-N 3.14Å; E178-F182 HydrophobicContact CB-CZ 4.45Å; E178-F182 WeakPolarHBondContact O-CD1 3.5Å; E178-F182 VanDerWaalsContact O-CG 3.3Å; E178-F182 WeakPolarHBondContact O-CG 3.35Å; E178-F182 PolarHBondContact O-N 2.91Å
179A90.3Very high88.3Confident55 Ų5575.2 Ų75.246%0.45539%0.391SS..Hα-helixtrans-58.8-40.5177.100000112.5E175 D176 F182 K183E175-A179 PolarHBondContact O-N 2.86Å; D176-A179 PolarHBondContact O-N 2.93Å; A179-F182 PolarHBondContact O-N 3.16Å; A179-K183 WeakPolarHBondContact O-CB 3.44Å; A179-K183 PolarHBondContact O-N 3.21Å
180E90.6Very high88.5Confident70 Ų7073.8 Ų73.833%0.32739%0.389SS..Hα-helixtrans-64-41.6175.8-70.7-84.2-153.400112.1Y169 K172 D176 E178 K183 L184Y169-E180 HydrophobicContact CE2-CB 3.85Å; K172-E180 IonicContact NZ-OE1 2.67Å; K172-E180 PolarHBondContact NZ-OE1 2.86Å; D176-E180 VanDerWaalsContact O-CG 3.27Å; D176-E180 WeakPolarHBondContact O-CG 3.45Å; D176-E180 PolarHBondContact O-N 3.5Å; D176-E180 VanDerWaalsContact O-N 3.13Å; E178-E180 VanDerWaalsContact C-N 3.31Å; E178-E180 PolarHBondContact O-N 2.88Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.31Å
181V91.1Very high88.9Confident0 Ų070.7 Ų70.70%038%0.382CS..Hα-helixtrans-67.1-40.3176.1175.20000111.2V126 L161 A165 Y169 A177 E178 L184 I185V126-V181 HydrophobicContact CG1-CG1 4.42Å; V126-V181 HydrophobicContact CG2-CG1 4.35Å; L161-V181 HydrophobicContact CB-CG1 4.35Å; L161-V181 HydrophobicContact CD2-CG1 3.8Å; A165-V181 HydrophobicContact CB-CB 4.48Å; A165-V181 HydrophobicContact CB-CG2 3.85Å; Y169-V181 HydrophobicContact CD2-CG2 4.43Å; Y169-V181 HydrophobicContact CE2-CG2 3.9Å; A177-V181 WeakPolarHBondContact O-CG2 3.29Å; A177-V181 PolarHBondContact O-N 3.38Å; E178-V181 PolarHBondContact O-N 3.47Å; E178-V181 VanDerWaalsContact O-N 3.14Å; V181-L184 WeakPolarHBondContact O-CB 3.49Å; V181-L184 PolarHBondContact O-N 3.11Å; V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 WeakPolarHBondContact O-CD1 3.4Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.28Å
182F92Very high89.1Confident43 Ų4367 Ų6719%0.18937%0.367CS..Hα-helixtrans-61.1-46.7176.2-65.8-11000111.1L92 L161 E178 A179 L184 I185 E186L92-F182 HydrophobicContact CD1-CD1 4.35Å; L92-F182 HydrophobicContact CD2-CB 4.34Å; L92-F182 HydrophobicContact CD2-CD1 3.71Å; L92-F182 HydrophobicContact CD2-CD2 4.15Å; L92-F182 HydrophobicContact CD2-CE1 3.98Å; L92-F182 HydrophobicContact CD2-CE2 4.41Å; L92-F182 HydrophobicContact CD2-CG 3.8Å; L92-F182 HydrophobicContact CD2-CZ 4.33Å; L161-F182 HydrophobicContact CB-CD1 4.34Å; L161-F182 HydrophobicContact CB-CE1 3.69Å; L161-F182 HydrophobicContact CD1-CD1 3.67Å; L161-F182 HydrophobicContact CD1-CE1 3.54Å; L161-F182 HydrophobicContact CG-CE1 4.29Å; E178-F182 HydrophobicContact CB-CZ 4.45Å; E178-F182 WeakPolarHBondContact O-CD1 3.5Å; E178-F182 VanDerWaalsContact O-CG 3.3Å; E178-F182 WeakPolarHBondContact O-CG 3.35Å; E178-F182 PolarHBondContact O-N 2.91Å; A179-F182 PolarHBondContact O-N 3.16Å; F182-L184 PolarHBondContact O-N 3.05Å; F182-I185 PolarHBondContact O-N 3.48Å; F182-E186 VanDerWaalsContact O-CG 3.3Å; F182-E186 WeakPolarHBondContact O-CG 3.3Å; F182-E186 PolarHBondContact O-N 3.26Å
183K92.3Very high89Confident152 Ų15266.8 Ų66.866%0.66138%0.382SS*.Hα-helixtrans-58.9-31.8177.1-171.6176.6-178.3179.50113.6A179 E180 I185A179-K183 WeakPolarHBondContact O-CB 3.44Å; A179-K183 PolarHBondContact O-N 3.21Å; E180-K183 PolarHBondContact O-N 3.24Å; K183-I185 VanDerWaalsContact C-N 3.3Å
184L91.7Very high88.9Confident58 Ų5866.9 Ų66.930%0.30440%0.401SS..Hα-helixtrans-69.1-29.4174.9-72.2173.4000112.9E180 V181 F182 K188E180-L184 WeakPolarHBondContact O-CG 3.49Å; E180-L184 PolarHBondContact O-N 3.31Å; V181-L184 WeakPolarHBondContact O-CB 3.49Å; V181-L184 PolarHBondContact O-N 3.11Å; F182-L184 PolarHBondContact O-N 3.05Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å
185I93.1Very high88.9Confident0 Ų069.9 Ų69.90%041%0.412CS..Hα-helixtrans-95.5-35.4-173.5-62.2162.5000111.3L92 S95 L120 C124 V126 F157 L161 V181 F182 K183 G187 K188L92-I185 HydrophobicContact CD1-CB 3.9Å; L92-I185 HydrophobicContact CD1-CG2 3.72Å; S95-I185 WeakPolarHBondContact CB-O 3.22Å; S95-I185 PolarHBondContact OG-O 3.29Å; L120-I185 HydrophobicContact CD1-CG2 4.19Å; L120-I185 HydrophobicContact CD2-CD1 3.82Å; L120-I185 HydrophobicContact CD2-CG1 3.95Å; L120-I185 HydrophobicContact CD2-CG2 4.1Å; L120-I185 HydrophobicContact CG-CG2 4.33Å; C124-I185 HydrophobicContact CB-CG1 3.8Å; V126-I185 HydrophobicContact CG2-CD1 4.1Å; V126-I185 HydrophobicContact CG2-CG1 4.15Å; F157-I185 HydrophobicContact CZ-CG2 4.5Å; L161-I185 HydrophobicContact CD1-CD1 3.66Å; L161-I185 HydrophobicContact CD2-CD1 3.37Å; L161-I185 HydrophobicContact CG-CD1 4.19Å; V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 WeakPolarHBondContact O-CD1 3.4Å; V181-I185 WeakPolarHBondContact O-CG1 3.35Å; V181-I185 PolarHBondContact O-N 3.28Å; F182-I185 PolarHBondContact O-N 3.48Å; K183-I185 VanDerWaalsContact C-N 3.3Å; I185-G187 PolarHBondContact O-N 2.68Å; I185-K188 VanDerWaalsContact O-CB 3.27Å; I185-K188 WeakPolarHBondContact O-CB 3.38Å; I185-K188 WeakPolarHBondContact O-CG 3.29Å; I185-K188 PolarHBondContact O-N 3.28Å
186E91.7Very high88.8Confident86 Ų8668.5 Ų68.540%0.40242%0.415SS..THydrogen-bonded Turntrans-52.8130.5-179.8-77.5173.8-177.800112.2A91 L92 F182 K188A91-E186 HydrophobicContact CB-CB 4.09Å; A91-E186 HydrophobicContact CB-CG 4.01Å; L92-E186 HydrophobicContact CB-CG 3.92Å; L92-E186 HydrophobicContact CD1-CG 4.49Å; F182-E186 VanDerWaalsContact O-CG 3.3Å; F182-E186 WeakPolarHBondContact O-CG 3.3Å; F182-E186 PolarHBondContact O-N 3.26Å; E186-K188 PolarHBondContact O-N 3.37Å
187G88.1Confident88.2Confident47 Ų4774.6 Ų74.649%0.48543%0.43SS..THydrogen-bonded Turntrans74.3-4-17900000115.4S95 R98 I185S95-G187 PolarHBondContact OG-N 2.88Å; R98-G187 PolarHBondContact NH1-O 2.81Å; I185-G187 PolarHBondContact O-N 2.68Å
188K91.6Very high87.6Confident104 Ų10479.8 Ų79.845%0.45247%0.473SS..  trans-77.5159.9179.2-60.7-66.7-177.8174.40111.9F99 L184 I185 E186F99-K188 HydrophobicContact CE2-CB 4.36Å; L184-K188 VanDerWaalsContact O-CG 3.27Å; L184-K188 WeakPolarHBondContact O-CG 3.48Å; I185-K188 VanDerWaalsContact O-CB 3.27Å; I185-K188 WeakPolarHBondContact O-CB 3.38Å; I185-K188 WeakPolarHBondContact O-CG 3.29Å; I185-K188 PolarHBondContact O-N 3.28Å; E186-K188 PolarHBondContact O-N 3.37Å
189A91.6Very high87.1Confident46 Ų4682.7 Ų82.738%0.3849%0.494SS..  trans-138156.5176.100000109.8F99 V191F99-A189 VanDerWaalsContact CZ-C 3.43Å; A189-V191 PolarHBondContact O-N 3.21Å
190P92.6Very high86.6Confident23 Ų2384.4 Ų84.415%0.14951%0.509CS..  trans-54122.2177.3-23.730.6000112.2R98 F99 H102 I192R98-P190 WeakPolarHBondContact O-CG 3.25Å; F99-P190 HydrophobicContact CB-CG 4.41Å; F99-P190 HydrophobicContact CD1-CB 4.09Å; F99-P190 HydrophobicContact CD1-CG 3.64Å; F99-P190 HydrophobicContact CD2-CG 4.25Å; F99-P190 VanDerWaalsContact CE1-CA 3.49Å; F99-P190 HydrophobicContact CE1-CB 3.96Å; F99-P190 HydrophobicContact CE1-CG 3.89Å; F99-P190 HydrophobicContact CE2-CG 4.47Å; F99-P190 HydrophobicContact CG-CG 3.83Å; F99-P190 HydrophobicContact CZ-CG 4.3Å; H102-P190 HydrophobicContact CB-CB 4.21Å; H102-P190 HydrophobicContact CB-CG 3.78Å; H102-P190 WeakPolarHBondContact ND1-CB 3.41Å; P190-I192 PolarHBondContact O-N 2.83Å
191V90.3Very high86.5Confident79 Ų7982.7 Ų82.748%0.47951%0.505SS..  trans-81115.1179-179.90000109.2K119 D123 A189 A193K119-V191 PolarHBondContact NZ-O 2.9Å; D123-V191 HydrophobicContact CB-CG2 4.09Å; D123-V191 PolarHBondContact OD2-N 3.15Å; A189-V191 PolarHBondContact O-N 3.21Å; V191-A193 HydrophobicContact CG1-CB 4.46Å; V191-A193 PolarHBondContact O-N 2.98Å
192I86.9Confident86.4Confident111 Ų11188.1 Ų88.157%0.56954%0.54SS*.  trans-96.386.4175.5-57.4164.7000107.6P190 V195P190-I192 PolarHBondContact O-N 2.83Å; I192-V195 HydrophobicContact CG2-CB 3.65Å; I192-V195 HydrophobicContact CG2-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG2 3.5Å
193A81.5Confident86.3Confident84 Ų8490 Ų9069%0.69456%0.555SS**  trans-86.4143.5176.400000111.1V191 V195V191-A193 HydrophobicContact CG1-CB 4.46Å; V191-A193 PolarHBondContact O-N 2.98Å; A193-V195 VanDerWaalsContact C-N 3.29Å; A193-V195 PolarHBondContact O-N 2.98Å
194G80.5Confident86.2Confident92 Ų9286.2 Ų86.295%0.94854%0.544SS*.SBendtrans74.79171.400000116
195V80.3Confident86.1Confident98 Ų9886.8 Ų86.859%0.59455%0.553SS**  trans-105.1130.6177.3-172.20000110I192 A193 R197I192-V195 HydrophobicContact CG2-CB 3.65Å; I192-V195 HydrophobicContact CG2-CG1 4.46Å; I192-V195 HydrophobicContact CG2-CG2 3.5Å; A193-V195 VanDerWaalsContact C-N 3.29Å; A193-V195 PolarHBondContact O-N 2.98Å; V195-R197 PolarHBondContact O-N 2.78Å
196T81.3Confident85.9Confident135 Ų13594.9 Ų94.983%0.82858%0.584SS**  trans-62.5118.9169.235.20000109.8A198T196-A198 PolarHBondContact O-N 3.02Å
197R75Confident85.8Confident227 Ų22796.5 Ų96.586%0.85759%0.594SS**  trans-57.6128.4172.3-73.417965.7-1670.2108.8V195 V199V195-R197 PolarHBondContact O-N 2.78Å; R197-V199 PolarHBondContact O-N 3.02Å
198A76.9Confident85.9Confident109 Ų10998.6 Ų98.690%0.90160%0.598SS**  trans-63.5109.7171.200000108.3T196T196-A198 PolarHBondContact O-N 3.02Å
199V79.6Confident85.8Confident117 Ų11795.5 Ų95.571%0.70959%0.586SS**  trans-93120.9173.6178.20000107.3R197 S201R197-V199 PolarHBondContact O-N 3.02Å; V199-S201 PolarHBondContact O-N 3.02Å
200A79.9Confident85.9Confident91 Ų9194.5 Ų94.575%0.75258%0.576SS**  trans-69.482.2166.400000108.1
201S88.1Confident85.7Confident35 Ų3598.3 Ų98.325%0.24560%0.599CS.*  trans-65.1146.3178.270.70000109.7V199 T203 V204 S205V199-S201 PolarHBondContact O-N 3.02Å; S201-T203 PolarHBondContact O-N 3.23Å; S201-T203 VanDerWaalsContact O-N 3.14Å; S201-V204 PolarHBondContact O-N 3.12Å; S201-V204 WeakPolarHBondContact OG-CB 3.49Å; S201-V204 WeakPolarHBondContact OG-CG2 3.45Å; S201-V204 PolarHBondContact OG-N 2.8Å; S201-V204 VanDerWaalsContact OG-N 3.1Å; S201-S205 PolarHBondContact O-N 3.43Å
202P89.8Confident85.7Confident114 Ų114100.8 Ų100.874%0.7460%0.603SS**Hα-helixtrans-54-34.6175.3-26.834.5000112.4R206P202-R206 WeakPolarHBondContact O-CB 3.19Å; P202-R206 PolarHBondContact O-N 3.4Å
203T89.8Confident86Confident81 Ų8198 Ų9850%0.49759%0.587SS.*Hα-helixtrans-63.9-49.8175.7-54.20000111.9S201 R206 L207S201-T203 PolarHBondContact O-N 3.23Å; S201-T203 VanDerWaalsContact O-N 3.14Å; T203-R206 PolarHBondContact O-N 3.38Å; T203-L207 HydrophobicContact CG2-CD1 4.01Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.43Å; T203-L207 PolarHBondContact O-N 2.94Å
204V90.1Very high86.5Confident73 Ų7399.5 Ų99.544%0.44259%0.588SS.*Hα-helixtrans-63.3-44.5178172.60000110.2S201 R206 L207 T208S201-V204 PolarHBondContact O-N 3.12Å; S201-V204 WeakPolarHBondContact OG-CB 3.49Å; S201-V204 WeakPolarHBondContact OG-CG2 3.45Å; S201-V204 PolarHBondContact OG-N 2.8Å; S201-V204 VanDerWaalsContact OG-N 3.1Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 2.77Å; V204-L207 CarbonylContact O-C 3.59Å; V204-L207 PolarHBondContact O-N 3.07Å; V204-T208 HydrophobicContact CG1-CG2 4.07Å; V204-T208 WeakPolarHBondContact O-CG2 3.34Å; V204-T208 PolarHBondContact O-N 2.93Å; V204-T208 PolarHBondContact O-OG1 2.83Å
205S89.5Confident86.9Confident71 Ų7198 Ų9850%0.49757%0.572SS.*Hα-helixtrans-54.2-47.5176.5179.50000111.8S201 L207 T208 D209S201-S205 PolarHBondContact O-N 3.43Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 2.67Å; S205-T208 PolarHBondContact O-N 3.1Å; S205-D209 WeakPolarHBondContact O-CB 3.41Å; S205-D209 PolarHBondContact O-N 3.48Å; S205-D209 VanDerWaalsContact O-N 3.08Å
206R89.6Confident87.3Confident170 Ų17097.7 Ų97.764%0.64257%0.574SS**Hα-helixtrans-63.9-36.3176.2-175.9173.162.9149.7-0.9113.2P202 T203 V204P202-R206 WeakPolarHBondContact O-CB 3.19Å; P202-R206 PolarHBondContact O-N 3.4Å; T203-R206 PolarHBondContact O-N 3.38Å; V204-R206 VanDerWaalsContact C-N 3.32Å; V204-R206 PolarHBondContact O-N 2.77Å
207L89.1Confident87.7Confident119 Ų11995 Ų9562%0.62355%0.552SS**Hα-helixtrans-77.8-22.5-179.3-69.1172.8000113.3T203 V204 S205T203-L207 HydrophobicContact CG2-CD1 4.01Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.43Å; T203-L207 PolarHBondContact O-N 2.94Å; V204-L207 CarbonylContact O-C 3.59Å; V204-L207 PolarHBondContact O-N 3.07Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 2.67Å
208T89.3Confident88.6Confident91 Ų9189.9 Ų89.956%0.55854%0.536SS*.Hα-helixtrans-106.90.1-177.960.20000114.3V204 S205 T210V204-T208 HydrophobicContact CG1-CG2 4.07Å; V204-T208 WeakPolarHBondContact O-CG2 3.34Å; V204-T208 PolarHBondContact O-N 2.93Å; V204-T208 PolarHBondContact O-OG1 2.83Å; S205-T208 PolarHBondContact O-N 3.1Å; T208-T210 PolarHBondContact O-N 2.93Å; T208-T210 VanDerWaalsContact O-N 3.15Å
209D91.1Very high89.2Confident39 Ų3989.9 Ų89.921%0.20952%0.517CS..  trans-74.5100.1178.1-179.92.8000111.2S205 T211 K212S205-D209 WeakPolarHBondContact O-CB 3.41Å; S205-D209 PolarHBondContact O-N 3.48Å; S205-D209 VanDerWaalsContact O-N 3.08Å; D209-T211 PolarHBondContact O-N 3.15Å; D209-T211 WeakPolarHBondContact OD1-CB 3.46Å; D209-T211 PolarHBondContact OD1-N 3.03Å; D209-T211 PolarHBondContact OD1-OG1 3.48Å; D209-T211 PolarHBondContact OD2-OG1 3.34Å; D209-K212 HydrophobicContact CB-CD 4.36Å; D209-K212 PolarHBondContact O-N 3.29Å; D209-K212 VanDerWaalsContact OD2-CD 3.28Å; D209-K212 WeakPolarHBondContact OD2-CD 3.48Å; D209-K212 WeakPolarHBondContact OD2-CE 3.22Å; D209-K212 WeakPolarHBondContact OD2-CG 3.23Å; D209-K212 IonicContact OD2-NZ 3.29Å; D209-K212 PolarHBondContact OD2-NZ 3.48Å
210T91.9Very high89.8Confident25 Ų2588.7 Ų88.715%0.15350%0.5CS..G310 helixtrans-68.2-18.7-178.955.60000113.4T208 K212 F213 F221 G225T208-T210 PolarHBondContact O-N 2.93Å; T208-T210 VanDerWaalsContact O-N 3.15Å; T210-K212 PolarHBondContact O-N 3.15Å; T210-F213 HydrophobicContact CG2-CD2 4.11Å; T210-F213 HydrophobicContact CG2-CE2 3.72Å; T210-F213 WeakPolarHBondContact O-CB 3.47Å; T210-F213 PolarHBondContact O-N 3.32Å; T210-F221 HydrophobicContact CG2-CB 4.29Å; T210-F221 HydrophobicContact CG2-CD1 3.69Å; T210-F221 HydrophobicContact CG2-CD2 4.3Å; T210-F221 HydrophobicContact CG2-CE1 4.05Å; T210-F221 HydrophobicContact CG2-CG 3.82Å; T210-G225 WeakPolarHBondContact OG1-CA 3.05Å
211T90.2Very high90.4Very high103 Ų10386.8 Ų86.863%0.63248%0.475SS*.G310 helixtrans-70-25.1-17972.10000112.1D209 F213D209-T211 PolarHBondContact O-N 3.15Å; D209-T211 WeakPolarHBondContact OD1-CB 3.46Å; D209-T211 PolarHBondContact OD1-N 3.03Å; D209-T211 PolarHBondContact OD1-OG1 3.48Å; D209-T211 PolarHBondContact OD2-OG1 3.34Å; T211-F213 VanDerWaalsContact C-N 3.31Å
212K90.5Very high90.6Very high132 Ų13287.9 Ų87.957%0.57448%0.478SS*.G310 helixtrans-83-6.3176.6-68.3176.5-178.21560113.5D209 T210D209-K212 HydrophobicContact CB-CD 4.36Å; D209-K212 PolarHBondContact O-N 3.29Å; D209-K212 VanDerWaalsContact OD2-CD 3.28Å; D209-K212 WeakPolarHBondContact OD2-CD 3.48Å; D209-K212 WeakPolarHBondContact OD2-CE 3.22Å; D209-K212 WeakPolarHBondContact OD2-CG 3.23Å; D209-K212 IonicContact OD2-NZ 3.29Å; D209-K212 PolarHBondContact OD2-NZ 3.48Å; T210-K212 PolarHBondContact O-N 3.15Å
213F91.7Very high90.5Very high51 Ų5192 Ų9222%0.22449%0.488CS..  trans-72.2136.8175.3-61.1-20.4000110.5T210 T211 H217 K218 F221T210-F213 HydrophobicContact CG2-CD2 4.11Å; T210-F213 HydrophobicContact CG2-CE2 3.72Å; T210-F213 WeakPolarHBondContact O-CB 3.47Å; T210-F213 PolarHBondContact O-N 3.32Å; T211-F213 VanDerWaalsContact C-N 3.31Å; F213-H217 HydrophobicContact CB-CB 4.42Å; F213-H217 AromaticContact CD1-ND1 3.84Å; F213-H217 AromaticContact CD2-CE1 3.41Å; F213-H217 VanDerWaalsContact CD2-CE1 3.41Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.4Å; F213-H217 AromaticContact CD2-ND1 3.05Å; F213-H217 WeakPolarHBondContact CD2-ND1 3.3Å; F213-H217 AromaticContact CE2-CE1 3.34Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.13Å; F213-H217 AromaticContact CE2-ND1 3.53Å; F213-H217 AromaticContact CG-CE1 3.91Å; F213-H217 AromaticContact CG-ND1 3.23Å; F213-H217 WeakPolarHBondContact CG-ND1 3.41Å; F213-H217 AromaticContact CZ-CE1 3.82Å; F213-K218 WeakPolarHBondContact O-CB 3.45Å; F213-F221 AromaticContact CD2-CD2 3.71Å; F213-F221 HydrophobicContact CD2-CD2 3.71Å; F213-F221 AromaticContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CZ 4.29Å; F213-F221 HydrophobicContact CE2-CD2 4.08Å; F213-F221 AromaticContact CE2-CE2 3.58Å; F213-F221 HydrophobicContact CE2-CE2 3.58Å; F213-F221 AromaticContact CE2-CZ 3.86Å; F213-F221 HydrophobicContact CE2-CZ 3.86Å
214T92.4Very high90.4Very high117 Ų11793.2 Ų93.272%0.71850%0.495SS*.  trans-118.2168.7-178.761.20000110.9H217T214-H217 PolarHBondContact O-N 3.2Å
215G90.1Very high90.3Very high59 Ų5990.8 Ų90.861%0.60849%0.485SS*.Hα-helixtrans57.4-145.3178.800000113.4H217 K218G215-H217 PolarHBondContact O-N 2.82Å; G215-H217 VanDerWaalsContact O-N 3.16Å; G215-K218 WeakPolarHBondContact O-CB 3.28Å; G215-K218 PolarHBondContact O-N 3.03Å; G215-K218 VanDerWaalsContact O-N 3.11Å
216S88.3Confident90.3Very high93 Ų9393 Ų9365%0.6548%0.482SS*.Hα-helixtrans-63.4-19.6-179.162.80000114K218 E219S216-K218 VanDerWaalsContact C-N 3.34Å; S216-E219 PolarHBondContact O-N 2.78Å
217H90.1Very high90.5Very high78 Ų7887.3 Ų87.336%0.36148%0.477SS..Hα-helixtrans-71.9-31.8176.3-159.2-100.2000111.7F213 T214 G215 E219 R220 F221F213-H217 HydrophobicContact CB-CB 4.42Å; F213-H217 AromaticContact CD1-ND1 3.84Å; F213-H217 AromaticContact CD2-CE1 3.41Å; F213-H217 VanDerWaalsContact CD2-CE1 3.41Å; F213-H217 WeakPolarHBondContact CD2-CE1 3.4Å; F213-H217 AromaticContact CD2-ND1 3.05Å; F213-H217 WeakPolarHBondContact CD2-ND1 3.3Å; F213-H217 AromaticContact CE2-CE1 3.34Å; F213-H217 WeakPolarHBondContact CE2-CE1 3.13Å; F213-H217 AromaticContact CE2-ND1 3.53Å; F213-H217 AromaticContact CG-CE1 3.91Å; F213-H217 AromaticContact CG-ND1 3.23Å; F213-H217 WeakPolarHBondContact CG-ND1 3.41Å; F213-H217 AromaticContact CZ-CE1 3.82Å; T214-H217 PolarHBondContact O-N 3.2Å; G215-H217 PolarHBondContact O-N 2.82Å; G215-H217 VanDerWaalsContact O-N 3.16Å; H217-E219 VanDerWaalsContact C-N 3.32Å; H217-E219 PolarHBondContact O-N 2.89Å; H217-R220 WeakPolarHBondContact O-CB 3.3Å; H217-R220 PolarHBondContact O-N 3.36Å; H217-F221 AromaticContact CE1-CE2 3.46Å; H217-F221 VanDerWaalsContact CE1-CE2 3.46Å; H217-F221 WeakPolarHBondContact CE1-CE2 3.04Å; H217-F221 AromaticContact CE1-CZ 3.98Å; H217-F221 AromaticContact ND1-CE2 3.72Å; H217-F221 VanDerWaalsContact O-CD2 3.3Å; H217-F221 WeakPolarHBondContact O-CD2 3.24Å
218K92Very high90.5Very high120 Ų12086 Ų8652%0.52247%0.466SS..Hα-helixtrans-61.7-41.2174.1-168.5176.6178.1178.50111.7F213 G215 S216 R220 F221F213-K218 WeakPolarHBondContact O-CB 3.45Å; G215-K218 WeakPolarHBondContact O-CB 3.28Å; G215-K218 PolarHBondContact O-N 3.03Å; G215-K218 VanDerWaalsContact O-N 3.11Å; S216-K218 VanDerWaalsContact C-N 3.34Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-R220 VanDerWaalsContact O-N 3.15Å; K218-F221 PolarHBondContact O-N 2.98Å
219E90.9Very high90.6Very high108 Ų10883.3 Ų83.351%0.50546%0.456SS..Hα-helixtrans-64.6-20.8-178.9-65.9-51.8137.100113.4S216 H217 F221 K228 G232S216-E219 PolarHBondContact O-N 2.78Å; H217-E219 VanDerWaalsContact C-N 3.32Å; H217-E219 PolarHBondContact O-N 2.89Å; E219-F221 PolarHBondContact O-N 3.16Å; E219-K228 WeakPolarHBondContact O-CD 3.33Å; E219-K228 PolarHBondContact O-NZ 2.66Å; E219-K228 IonicContact OE2-NZ 2.75Å; E219-G232 CarbonylContact C-O 3.45Å; E219-G232 WeakPolarHBondContact O-CA 3.14Å
220R91.8Very high90.4Very high92 Ų9289.1 Ų89.135%0.34748%0.479SS..THydrogen-bonded Turntrans-70.8-18179.2-65.1175-179.9-137.7-4.9113.6H217 K218 G227 K228 G232 R233H217-R220 WeakPolarHBondContact O-CB 3.3Å; H217-R220 PolarHBondContact O-N 3.36Å; K218-R220 PolarHBondContact O-N 3.44Å; K218-R220 VanDerWaalsContact O-N 3.15Å; R220-G227 CarbonylContact O-C 3.49Å; R220-G227 VanDerWaalsContact O-CA 3.25Å; R220-G227 WeakPolarHBondContact O-CA 3.36Å; R220-K228 PolarHBondContact O-N 3.14Å; R220-G232 WeakPolarHBondContact CA-O 3.34Å; R220-G232 WeakPolarHBondContact CG-O 2.99Å; R220-G232 PolarHBondContact N-O 3.08Å; R220-R233 HydrophobicContact CG-CG 4.24Å
221F93.3Very high90.1Very high51 Ų5191.4 Ų91.422%0.22450%0.501CS..BIsolated β-bridgetrans-119.4151.2-174.9-57.2-89.2000111.8T210 F213 H217 K218 E219 G225 R226 K228T210-F221 HydrophobicContact CG2-CB 4.29Å; T210-F221 HydrophobicContact CG2-CD1 3.69Å; T210-F221 HydrophobicContact CG2-CD2 4.3Å; T210-F221 HydrophobicContact CG2-CE1 4.05Å; T210-F221 HydrophobicContact CG2-CG 3.82Å; F213-F221 AromaticContact CD2-CD2 3.71Å; F213-F221 HydrophobicContact CD2-CD2 3.71Å; F213-F221 AromaticContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CE2 3.54Å; F213-F221 HydrophobicContact CD2-CZ 4.29Å; F213-F221 HydrophobicContact CE2-CD2 4.08Å; F213-F221 AromaticContact CE2-CE2 3.58Å; F213-F221 HydrophobicContact CE2-CE2 3.58Å; F213-F221 AromaticContact CE2-CZ 3.86Å; F213-F221 HydrophobicContact CE2-CZ 3.86Å; H217-F221 AromaticContact CE1-CE2 3.46Å; H217-F221 VanDerWaalsContact CE1-CE2 3.46Å; H217-F221 WeakPolarHBondContact CE1-CE2 3.04Å; H217-F221 AromaticContact CE1-CZ 3.98Å; H217-F221 AromaticContact ND1-CE2 3.72Å; H217-F221 VanDerWaalsContact O-CD2 3.3Å; H217-F221 WeakPolarHBondContact O-CD2 3.24Å; K218-F221 PolarHBondContact O-N 2.98Å; E219-F221 PolarHBondContact O-N 3.16Å; F221-G225 WeakPolarHBondContact CD1-O 3.42Å; F221-R226 CarbonylContact C-O 3.58Å; F221-R226 VanDerWaalsContact CA-O 3.28Å; F221-R226 WeakPolarHBondContact CA-O 3.47Å; F221-K228 WeakPolarHBondContact O-CE 3.38Å; F221-K228 PolarHBondContact O-NZ 3.24Å
222D90.6Very high90Very high58 Ų5887 Ų8731%0.3148%0.476SS..  trans-83.8176.3168.469.917.5000111.3T224 G225 R226 K228D222-T224 VanDerWaalsContact CG-OG1 3.28Å; D222-T224 PolarHBondContact O-N 2.97Å; D222-T224 VanDerWaalsContact O-N 3.16Å; D222-T224 VanDerWaalsContact OD1-CA 3.3Å; D222-T224 WeakPolarHBondContact OD1-CA 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.1Å; D222-T224 PolarHBondContact OD1-N 3.04Å; D222-T224 PolarHBondContact OD1-OG1 3.15Å; D222-T224 PolarHBondContact OD2-OG1 2.75Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3.03Å; D222-R226 PolarHBondContact N-O 3.06Å; D222-R226 PolarHBondContact OD1-N 3.34Å; D222-K228 HydrophobicContact CB-CG 4.2Å
223Q87.7Confident89.8Confident202 Ų20287.9 Ų87.994%0.94448%0.476SS*.THydrogen-bonded Turntrans-62.9-19.5179.5-64.8176.72.700113G225Q223-G225 VanDerWaalsContact C-N 3.31Å
224T88.3Confident89.4Confident105 Ų10588.8 Ų88.864%0.64449%0.485SS*.THydrogen-bonded Turntrans-88.70.2176.375.60000112.8D222 R226D222-T224 VanDerWaalsContact CG-OG1 3.28Å; D222-T224 PolarHBondContact O-N 2.97Å; D222-T224 VanDerWaalsContact O-N 3.16Å; D222-T224 VanDerWaalsContact OD1-CA 3.3Å; D222-T224 WeakPolarHBondContact OD1-CA 3.28Å; D222-T224 WeakPolarHBondContact OD1-CB 3.1Å; D222-T224 PolarHBondContact OD1-N 3.04Å; D222-T224 PolarHBondContact OD1-OG1 3.15Å; D222-T224 PolarHBondContact OD2-OG1 2.75Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 WeakPolarHBondContact OG1-CG 3.4Å
225G88.3Confident88.8Confident23 Ų2389.9 Ų89.924%0.23749%0.486CS..SBendtrans76.712-176.200000114.5T210 F221 D222 Q223T210-G225 WeakPolarHBondContact OG1-CA 3.05Å; F221-G225 WeakPolarHBondContact CD1-O 3.42Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3.03Å; Q223-G225 VanDerWaalsContact C-N 3.31Å
226R89.9Confident88Confident116 Ų11693.4 Ų93.444%0.43849%0.49SS..  trans-85.7142.8172.7-65.3179.7179.1-1770.5110.2F221 D222 T224 K228F221-R226 CarbonylContact C-O 3.58Å; F221-R226 VanDerWaalsContact CA-O 3.28Å; F221-R226 WeakPolarHBondContact CA-O 3.47Å; D222-R226 PolarHBondContact N-O 3.06Å; D222-R226 PolarHBondContact OD1-N 3.34Å; T224-R226 VanDerWaalsContact C-N 3.31Å; T224-R226 WeakPolarHBondContact OG1-CG 3.4Å; R226-K228 PolarHBondContact O-N 3.01Å
227G92.3Very high87.4Confident52 Ų5294.1 Ų94.154%0.53649%0.491SS..BIsolated β-bridgetrans-66.5130178.800000112.3R220 G229R220-G227 CarbonylContact O-C 3.49Å; R220-G227 VanDerWaalsContact O-CA 3.25Å; R220-G227 WeakPolarHBondContact O-CA 3.36Å; G227-G229 PolarHBondContact O-N 3.37Å; G227-G229 VanDerWaalsContact O-N 3.12Å
228K90.8Very high86.7Confident92 Ų9294.9 Ų94.940%0.450%0.498SS..  trans-72.76.7175-65.4-175.7-173.5145.30114.2E219 R220 F221 D222 R226 K230 A231E219-K228 WeakPolarHBondContact O-CD 3.33Å; E219-K228 PolarHBondContact O-NZ 2.66Å; E219-K228 IonicContact OE2-NZ 2.75Å; R220-K228 PolarHBondContact O-N 3.14Å; F221-K228 WeakPolarHBondContact O-CE 3.38Å; F221-K228 PolarHBondContact O-NZ 3.24Å; D222-K228 HydrophobicContact CB-CG 4.2Å; R226-K228 PolarHBondContact O-N 3.01Å; K228-K230 PolarHBondContact O-N 3.16Å; K228-A231 PolarHBondContact O-N 3.28Å
229G90.4Very high86Confident33 Ų3395.7 Ų95.734%0.3451%0.513SS..THydrogen-bonded Turntrans62.1-130.3-179.800000112.8G227 R233G227-G229 PolarHBondContact O-N 3.37Å; G227-G229 VanDerWaalsContact O-N 3.12Å; G229-R233 VanDerWaalsContact C-NH1 3.34Å; G229-R233 PolarHBondContact O-NH1 2.89Å
230K86.3Confident85.3Confident161 Ų16193.1 Ų93.170%0.751%0.507SS*.THydrogen-bonded Turntrans-65.6-38.9-179.1-171.7177.4179.8-177.80112.2K228 G232 R233 V234K228-K230 PolarHBondContact O-N 3.16Å; K230-G232 PolarHBondContact O-N 3.39Å; K230-R233 PolarHBondContact O-N 3.36Å; K230-V234 HydrophobicContact CG-CB 4.46Å; K230-V234 HydrophobicContact CG-CG2 4Å; K230-V234 PolarHBondContact O-N 3.33Å
231A86.5Confident84.4Confident74 Ų7492.3 Ų92.361%0.61253%0.527SS*.THydrogen-bonded Turntrans-62.8-27.7-176.700000113.5K228K228-A231 PolarHBondContact O-N 3.28Å
232G87.2Confident83.5Confident9 Ų993 Ų939%0.09353%0.528CS..THydrogen-bonded Turntrans-91.70.3176.100000114.8E219 R220 K230E219-G232 CarbonylContact C-O 3.45Å; E219-G232 WeakPolarHBondContact O-CA 3.14Å; R220-G232 WeakPolarHBondContact CA-O 3.34Å; R220-G232 WeakPolarHBondContact CG-O 2.99Å; R220-G232 PolarHBondContact N-O 3.08Å; K230-G232 PolarHBondContact O-N 3.39Å
233R86.1Confident83Confident152 Ų15295.2 Ų95.257%0.57454%0.544SS*.THydrogen-bonded Turntrans-117.2-25.9-177.7-71.1-177.6-179.482.3-6.3113.4R220 G229 K230R220-R233 HydrophobicContact CG-CG 4.24Å; G229-R233 VanDerWaalsContact C-NH1 3.34Å; G229-R233 PolarHBondContact O-NH1 2.89Å; K230-R233 PolarHBondContact O-N 3.36Å
234V85.3Confident82.2Confident70 Ų7092 Ų9242%0.42454%0.543SS..SBendtrans-119126.5-175.3-177.20000108.1K230 L236K230-V234 HydrophobicContact CG-CB 4.46Å; K230-V234 HydrophobicContact CG-CG2 4Å; K230-V234 PolarHBondContact O-N 3.33Å; V234-L236 PolarHBondContact O-N 2.93Å
235D79Confident81.6Confident139 Ų13989.9 Ų89.974%0.74354%0.542SS*.  trans-73113.8166.8-171.517.5000108.4V237D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å
236L73.1Confident81Confident133 Ų13395.2 Ų95.270%0.69656%0.556SS**  trans-79.887.6176.5-69.2176000107.7V234 D238V234-L236 PolarHBondContact O-N 2.93Å; L236-D238 PolarHBondContact O-N 3.21Å
237V75.7Confident80.4Confident108 Ų10898.8 Ų98.866%0.65558%0.575SS**  trans-62.2130.7170.8-177.80000108.6D235 T239D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.48Å; V237-T239 PolarHBondContact O-N 3.39Å
238D74.6Confident79.5Confident95 Ų95101.3 Ų101.351%0.50857%0.573SS.*  trans-62.6109.7174.9-178.710.8000109.9L236 S240L236-D238 PolarHBondContact O-N 3.21Å; D238-S240 PolarHBondContact O-N 3.11Å; D238-S240 WeakPolarHBondContact OD1-CB 2.88Å; D238-S240 PolarHBondContact OD1-N 2.6Å; D238-S240 PolarHBondContact OD1-OG 3.31Å; D238-S240 PolarHBondContact OD2-OG 2.97Å
239T77.3Confident78.6Confident136 Ų136104.3 Ų104.383%0.83458%0.582SS**  trans-839.7178.461.60000112.8V237 G241V237-T239 PolarHBondContact O-N 3.39Å; T239-G241 PolarHBondContact O-N 2.99Å
240S76.2Confident77.7Confident55 Ų55105.5 Ų105.539%0.38559%0.594SS.*SBendtrans-66.73.2-179.573.70000114.6D238 Y242D238-S240 PolarHBondContact O-N 3.11Å; D238-S240 WeakPolarHBondContact OD1-CB 2.88Å; D238-S240 PolarHBondContact OD1-N 2.6Å; D238-S240 PolarHBondContact OD1-OG 3.31Å; D238-S240 PolarHBondContact OD2-OG 2.97Å; S240-Y242 PolarHBondContact O-N 2.8Å; S240-Y242 VanDerWaalsContact O-N 3.15Å; S240-Y242 VanDerWaalsContact OG-CB 3.24Å; S240-Y242 WeakPolarHBondContact OG-CB 3.39Å
241G73.6Confident77.1Confident74 Ų74100.6 Ų100.676%0.76358%0.577SS**  trans68.85.8-176.500000112.9T239T239-G241 PolarHBondContact O-N 2.99Å
242Y74.6Confident76.2Confident66 Ų66105.8 Ų105.826%0.25958%0.582SS.*  trans-85.8126.2-174-170.2-99.4000110.2S240 S244 Y246 H248 R249S240-Y242 PolarHBondContact O-N 2.8Å; S240-Y242 VanDerWaalsContact O-N 3.15Å; S240-Y242 VanDerWaalsContact OG-CB 3.24Å; S240-Y242 WeakPolarHBondContact OG-CB 3.39Å; Y242-S244 PolarHBondContact O-N 2.73Å; Y242-Y246 WeakPolarHBondContact CE1-O 3.21Å; Y242-Y246 AromaticContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CE1 4.46Å; Y242-Y246 AromaticContact CZ-CD1 3.51Å; Y242-Y246 VanDerWaalsContact CZ-O 3.25Å; Y242-Y246 WeakPolarHBondContact OH-CD1 3.49Å; Y242-Y246 PolarHBondContact OH-O 3.33Å; Y242-H248 PolarHBondContact OH-N 3.14Å; Y242-R249 HydrophobicContact CD1-CB 4.34Å; Y242-R249 HydrophobicContact CD1-CG 4.08Å; Y242-R249 HydrophobicContact CD2-CG 3.93Å; Y242-R249 HydrophobicContact CE1-CB 3.61Å; Y242-R249 HydrophobicContact CE1-CG 3.83Å; Y242-R249 HydrophobicContact CE2-CB 3.85Å; Y242-R249 HydrophobicContact CE2-CG 3.69Å; Y242-R249 HydrophobicContact CG-CG 4.12Å; Y242-R249 WeakPolarHBondContact OH-CA 3.08Å; Y242-R249 WeakPolarHBondContact OH-CB 3.28Å; Y242-R249 PolarHBondContact OH-N 3.24Å
243V79.4Confident75.2Confident104 Ų104112.6 Ų112.663%0.6361%0.612SS**  trans-62.9125.2-173178.40000110.2G245 Y246V243-G245 PolarHBondContact O-N 3.27Å; V243-Y246 PolarHBondContact O-N 3.29Å
244S71.8Confident74.2Confident134 Ų134114.1 Ų114.194%0.93762%0.622SS**THydrogen-bonded Turntrans-59.4-18.1-171.871.60000115Y242Y242-S244 PolarHBondContact O-N 2.73Å
245G75.4Confident73.2Confident61 Ų61118.8 Ų118.863%0.62964%0.637SS**THydrogen-bonded Turntrans-93.4-10.2177.200000115.6V243V243-G245 PolarHBondContact O-N 3.27Å
246Y76.4Confident72.5Confident135 Ų135116.7 Ų116.753%0.52963%0.629SS.*  trans-90.4114.6-172.9-166.7-125.6000111.2Y242 V243 H248Y242-Y246 WeakPolarHBondContact CE1-O 3.21Å; Y242-Y246 AromaticContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CD1 3.73Å; Y242-Y246 HydrophobicContact CE2-CE1 4.46Å; Y242-Y246 AromaticContact CZ-CD1 3.51Å; Y242-Y246 VanDerWaalsContact CZ-O 3.25Å; Y242-Y246 WeakPolarHBondContact OH-CD1 3.49Å; Y242-Y246 PolarHBondContact OH-O 3.33Å; V243-Y246 PolarHBondContact O-N 3.29Å; Y246-H248 HydrophobicContact CE1-CB 3.82Å; Y246-H248 HydrophobicContact CE2-CB 4.22Å; Y246-H248 AromaticContact CE2-CD2 3.89Å; Y246-H248 PolarHBondContact O-N 3.33Å
247K77.1Confident71.9Confident192 Ų192117.2 Ų117.284%0.83563%0.632SS**  trans-87.20.2-171.3-63-178.1-179.5178.60115.1
248H72.9Confident71.1Confident105 Ų105120.3 Ų120.349%0.48664%0.637SS.*  trans-10630.7-166.9-62-29.8000113.7Y242 Y246 G250 T251Y242-H248 PolarHBondContact OH-N 3.14Å; Y246-H248 HydrophobicContact CE1-CB 3.82Å; Y246-H248 HydrophobicContact CE2-CB 4.22Å; Y246-H248 AromaticContact CE2-CD2 3.89Å; Y246-H248 PolarHBondContact O-N 3.33Å; H248-G250 PolarHBondContact O-N 3.42Å; H248-T251 HydrophobicContact CB-CG2 4.22Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 WeakPolarHBondContact O-CB 3.41Å; H248-T251 PolarHBondContact O-N 3.29Å; H248-T251 VanDerWaalsContact O-N 3.14Å; H248-T251 PolarHBondContact O-OG1 2.95Å
249R70.9Confident70.2Confident155 Ų155120.9 Ų120.959%0.58565%0.646SS**THydrogen-bonded Turntrans-61.5125.2-178-160175.3178.2-811.7109.1Y242 T251Y242-R249 HydrophobicContact CD1-CB 4.34Å; Y242-R249 HydrophobicContact CD1-CG 4.08Å; Y242-R249 HydrophobicContact CD2-CG 3.93Å; Y242-R249 HydrophobicContact CE1-CB 3.61Å; Y242-R249 HydrophobicContact CE1-CG 3.83Å; Y242-R249 HydrophobicContact CE2-CB 3.85Å; Y242-R249 HydrophobicContact CE2-CG 3.69Å; Y242-R249 HydrophobicContact CG-CG 4.12Å; Y242-R249 WeakPolarHBondContact OH-CA 3.08Å; Y242-R249 WeakPolarHBondContact OH-CB 3.28Å; Y242-R249 PolarHBondContact OH-N 3.24Å; R249-T251 VanDerWaalsContact C-N 3.27Å; R249-T251 PolarHBondContact O-N 3.33Å
250G72.4Confident69.2Low57 Ų57121 Ų12159%0.58865%0.646SS**THydrogen-bonded Turntrans71.413.1179.100000115.5H248H248-G250 PolarHBondContact O-N 3.42Å
251T74Confident68.2Low58 Ų58125.5 Ų125.536%0.35667%0.666SS.*  trans-87-16177.362.10000114.1H248 R249 K255H248-T251 HydrophobicContact CB-CG2 4.22Å; H248-T251 WeakPolarHBondContact CB-OG1 3.46Å; H248-T251 WeakPolarHBondContact O-CB 3.41Å; H248-T251 PolarHBondContact O-N 3.29Å; H248-T251 VanDerWaalsContact O-N 3.14Å; H248-T251 PolarHBondContact O-OG1 2.95Å; R249-T251 VanDerWaalsContact C-N 3.27Å; R249-T251 PolarHBondContact O-N 3.33Å; T251-K255 PolarHBondContact O-N 2.96Å
252Y67.8Low67.2Low183 Ų183125.3 Ų125.372%0.71867%0.665SS**Hα-helixtrans-64.7-49.9-179.1-172.8-102.1000111.4K254 K255 V256Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.21Å; Y252-K255 PolarHBondContact O-N 3.22Å; Y252-V256 HydrophobicContact CE1-CG1 4.44Å; Y252-V256 WeakPolarHBondContact O-CG2 3.45Å; Y252-V256 PolarHBondContact O-N 3.43Å
253E66.3Low65.9Low152 Ų152133.5 Ų133.571%0.7170%0.695SS**Hα-helixtrans-60.3-33.3-179.2-66172179.300112.9K255 V256 N257E253-K255 VanDerWaalsContact C-N 3.31Å; E253-K255 PolarHBondContact O-N 3.26Å; E253-V256 WeakPolarHBondContact O-CG2 3.39Å; E253-N257 PolarHBondContact O-N 3.41Å
254K64.4Low64.8Low184 Ų184134.4 Ų134.480%0.870%0.703SS**Hα-helixtrans-67.5-25.5174.1-98.7-179.5177.4174.70114.1Y252Y252-K254 VanDerWaalsContact C-N 3.26Å; Y252-K254 PolarHBondContact O-N 3.21Å
255K63.8Low63.9Low169 Ų169140.5 Ų140.574%0.73572%0.72SS**Hα-helixtrans-85.7-30179.2-82.1-177.9175.4179.60112.9T251 Y252 E253T251-K255 PolarHBondContact O-N 2.96Å; Y252-K255 PolarHBondContact O-N 3.22Å; E253-K255 VanDerWaalsContact C-N 3.31Å; E253-K255 PolarHBondContact O-N 3.26Å
256V64.4Low63.3Low95 Ų95144.5 Ų144.558%0.57672%0.724SS**Hα-helixtrans-83.9-25.9-180-82.50000113.5Y252 E253 K258Y252-V256 HydrophobicContact CE1-CG1 4.44Å; Y252-V256 WeakPolarHBondContact O-CG2 3.45Å; Y252-V256 PolarHBondContact O-N 3.43Å; E253-V256 WeakPolarHBondContact O-CG2 3.39Å; V256-K258 PolarHBondContact O-N 2.7Å
257N60Low62.6Low143 Ų143144.9 Ų144.977%0.76574%0.735SS**  trans-93.171.3173-115.90.9000111E253E253-N257 PolarHBondContact O-N 3.41Å
258K58.9Low61.8Low174 Ų174142.3 Ų142.376%0.75773%0.729SS**  trans-80.2124.7162.7-87.3-175.5175-177.40108.4V256 T260V256-K258 PolarHBondContact O-N 2.7Å; K258-T260 PolarHBondContact O-N 3.5Å
259P56.8Low61.2Low106 Ų106144.5 Ų144.569%0.68874%0.744SS**  trans-62.6122.3165.926.7-30.5000107.8D261P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.96Å
260T56.4Low60.6Low138 Ų138143.9 Ų143.985%0.84775%0.753SS**  trans-72.484.2172.5500000108.2K258 G262K258-T260 PolarHBondContact O-N 3.5Å; T260-G262 PolarHBondContact O-N 3.32Å
261D55.1Low59.8Low150 Ų150149.7 Ų149.780%0.80276%0.764SS**PPolyproline II helixtrans-66.6122.1167.4-80.4-32.2000108.9P259P259-D261 VanDerWaalsContact C-N 3.26Å; P259-D261 PolarHBondContact O-N 2.96Å
262G52.2Low58.8Low71 Ų71156.2 Ų156.273%0.73279%0.794SS**PPolyproline II helixtrans-59.5140.4-174.600000112.9T260T260-G262 PolarHBondContact O-N 3.32Å
263R46.8Very low58.1Low238 Ų238154.2 Ų154.290%0.89880%0.8SS**PPolyproline II helixtrans-72.4123.6173.8-159.6-175.3-64.5-134.83.2108.5
264P56.3Low57.4Low123 Ų123154.3 Ų154.380%0.79981%0.807SS**PPolyproline II helixtrans-74.4137.2172.629.5-30.3000109.7
265M53.3Low56.7Low261 Ų261151.6 Ų151.6100%1.28681%0.808SS**  trans-84.90169.7-68-79.1-93.300109.9

Retrieved 265 of 265 residues in 59.8 ms (Link to these results)