A0A077Z8W6_TRITR Loading...

Eukaryotic translation initiation factor 2 subunit 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A077Z8W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 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
1M50.3Low51Low220 Ų220157.6 Ų157.6100%1.08482%0.824SS**  036.60-49.5-48.2-161.400111.5
2D40.3Very low51.2Low142 Ų142159.1 Ų159.176%0.75983%0.827SS**  27.799.7124.2-46.2-65.9000116.8
3K43.9Very low51Low195 Ų195162.8 Ų162.885%0.84883%0.833SS**  61.6115.893.6-81.7-177.6179.2171.90114
4E60.5Low51.2Low185 Ų185164.9 Ų164.986%0.86483%0.833SS**  -167.5115119.5-106.4176.3154.100112.1
5Q50.6Low50.5Low192 Ų192168.1 Ų168.190%0.89784%0.839SS**  trans-99.1105.8176.1-140.2163.37.800105.8V7Q5-V7 PolarHBondContact O-N 2.75Å
6L57.3Low50.4Low168 Ų168170.9 Ų170.988%0.8885%0.845SS**  trans-76.2105179-74.6173.3000110.3
7V49.9Very low49.8Very low131 Ų131173.1 Ų173.179%0.79485%0.848SS**  trans-75.7127.5168.8174.80000108.9Q5Q5-V7 PolarHBondContact O-N 2.75Å
8F49.3Very low49Very low186 Ų186174.7 Ų174.782%0.81685%0.85SS**  trans-88.8118.8178.6176.8-97000110.6
9D56.2Low48.8Very low139 Ų139176.2 Ų176.274%0.74385%0.851SS**  trans-100.2115.4-175.6-133.1-37.7000111.6G11D9-G11 PolarHBondContact O-N 2.81Å; D9-G11 VanDerWaalsContact O-N 3.14Å
10P50.4Low48.1Very low115 Ų115176 Ų17675%0.74785%0.849SS**  trans-90.461.3-174.535.7-32.7000112.1
11G52Low47.6Very low61 Ų61175.4 Ų175.463%0.62985%0.849SS**  trans-114-17.6-176.300000117D9 K13D9-G11 PolarHBondContact O-N 2.81Å; D9-G11 VanDerWaalsContact O-N 3.14Å; G11-K13 PolarHBondContact O-N 3.15Å
12M53.4Low46.8Very low175 Ų175171.6 Ų171.686%0.86283%0.832SS**  trans-92.790.5-166.6-64.7-17384.700113.7K14M12-K14 PolarHBondContact O-N 3.34Å
13K48.8Very low47Very low207 Ų207172.6 Ų172.690%0.984%0.836SS**  trans-60.298164-71.2177178.2171.90110.8G11 K15G11-K13 PolarHBondContact O-N 3.15Å; K13-K15 PolarHBondContact O-N 3.17Å
14K53.9Low46.9Very low193 Ų193171.7 Ų171.784%0.83984%0.835SS**  trans-78.5109.6170-80.9-179.3175.91750111.2M12 K16M12-K14 PolarHBondContact O-N 3.34Å; K14-K16 PolarHBondContact O-N 3.34Å
15K41.3Very low45.7Very low213 Ų213169 Ų16993%0.92683%0.834SS**PPolyproline II helixtrans-55.1122.9163.3-88.4173.8170.4173.90109.9K13K13-K15 PolarHBondContact O-N 3.17Å
16K47.8Very low45.2Very low213 Ų213164 Ų16493%0.92683%0.826SS**PPolyproline II helixtrans-95.7118.1168.7-109.1-179.9178.5178.60110.1K14K14-K16 PolarHBondContact O-N 3.34Å
17K40.6Very low44.1Very low208 Ų208165 Ų16590%0.90483%0.826SS**PPolyproline II helixtrans-70.4128.1177-163.1172-176.6177.60109.7
18K36.1Very low43.2Very low202 Ų202163.9 Ų163.988%0.87882%0.824SS**PPolyproline II helixtrans-77128.4174-162.3176.7-177.3-173.90107.9
19K44.1Very low42.5Very low202 Ų202159 Ų15988%0.87882%0.818SS**PPolyproline II helixtrans-101.4116.8176.6-162.8174.5-176.5-178.80107.5
20E35.7Very low41.3Very low173 Ų173161 Ų16181%0.80882%0.823SS**PPolyproline II helixtrans-68.2142.4171.4-71.5170.914200109.8
21L37Very low40.6Very low163 Ų163159.8 Ų159.885%0.85382%0.822SS**  trans-129.8105.4172.7-148.8152.2000105.8
22I33.4Very low39.7Very low141 Ų141162.7 Ų162.772%0.72383%0.828SS**  trans-87.8131.4178.1-68160000106.9
23L44.6Very low38.7Very low162 Ų162160 Ų16085%0.84882%0.821SS**  trans-145.8122164.3-151.479.7000109
24E42.8Very low38.1Very low177 Ų177156.4 Ų156.483%0.82781%0.812SS**  trans-75.4153.4-176.6-54.1-165135.500112.7
25P35Very low37.3Very low128 Ų128156 Ų15683%0.83181%0.813SS**  trans-114.6126.7161.334.2-20.8000111.7
26A39.6Very low37.3Very low88 Ų88153.9 Ų153.973%0.72781%0.806SS**  trans-102126165.100000109.9
27E33.9Very low37.1Very low188 Ų188149.3 Ų149.388%0.87980%0.798SS**  trans46137.8136.3-59.2177.4158.200119
28S30.6Very low37.3Very low107 Ų107144.3 Ų144.375%0.74879%0.787SS**  cis-178.6156.98.443.80000108.1
29A34.9Very low37.5Very low85 Ų85138.6 Ų138.670%0.70278%0.778SS**  trans60.8142.7153.300000119.6
30Q32.2Very low37.9Very low180 Ų180136.5 Ų136.584%0.84178%0.775SS**  cis-175.7149.80.6-112.5164.3-12.300106.3
31A34.8Very low38.3Very low89 Ų89134.7 Ų134.774%0.73677%0.771SS**  trans64.8137147.600000118.1
32T32.4Very low38.5Very low123 Ų123133.9 Ų133.976%0.75577%0.768SS**  cis178.3141.621.511.40000108.7
33V33.6Very low38.7Very low117 Ų117137.1 Ų137.171%0.70978%0.777SS**  trans44.3134.8147.1-119.10000119.8
34D35.2Very low38.7Very low133 Ų133134.4 Ų134.471%0.71177%0.772SS**  -174.5150.754.5-95.3-60.5000113.1
35Q38.5Very low38.5Very low185 Ų185135.9 Ų135.986%0.86478%0.775SS**  trans75.1104.6150-75.3178.3-9.700123.7
36E40.6Very low39Very low168 Ų168137.4 Ų137.479%0.78578%0.776SS**  trans-65.3176.3147.5-122.3-166.5120.900111.3
37P43.6Very low39Very low116 Ų116142.1 Ų142.175%0.75378%0.779SS**  cis-151.1-155.642.246.5-22000113.7
38P44.3Very low39.5Very low103 Ų103142.5 Ų142.567%0.66978%0.778SS**  -127.7-168.8-106.935.2-11.6000114
39A40.3Very low39.8Very low83 Ų83147.6 Ų147.669%0.68679%0.787SS**  trans95.4122.8166.100000117.1
40L52.3Low40Very low158 Ų158153.2 Ų153.283%0.82780%0.795SS**  174.292.7113.8-81.6173.1000110.1
41D44.9Very low40.1Very low135 Ų135154.4 Ų154.472%0.72280%0.798SS**  trans51.2110.8132.9-54.2-62.3000122.8
42D41.1Very low40.5Very low145 Ų145160 Ų16078%0.77581%0.805SS**  14.2124.2129.5-86.4-78.3000119.5
43F36.9Very low40.4Very low210 Ų210160 Ų16092%0.92181%0.808SS**  trans-163.9133.3134.5-110.4-78.2000111.9
44S44.7Very low40.6Very low105 Ų105163.7 Ų163.773%0.73482%0.818SS**  trans95.556.9152-49.40000120.3
45K38.3Very low40.5Very low208 Ų208165.1 Ų165.190%0.90482%0.824SS**  trans-93.581.7142-75.9177.6-179.9168.90109.9
46L47.4Very low40.1Very low160 Ų160162.9 Ų162.984%0.83882%0.818SS**  trans-142.4104.5171.2-108.5103.9000114.6
47K39.3Very low39.8Very low186 Ų186162.7 Ų162.781%0.80982%0.822SS**  trans19.7125133.6-63.7174.6173173.60118.5
48K44.2Very low39.4Very low196 Ų196164.6 Ų164.685%0.85282%0.821SS**  172.3115.7104.7-97.3167.3177.9170.80113
49K35.3Very low38.8Very low215 Ų215164.9 Ų164.994%0.93582%0.82SS**  trans-58.8129.5152.7-79.8172.4169.51750108.8
50K39.7Very low38.7Very low202 Ų202168.1 Ų168.188%0.87883%0.832SS**  trans-125.5117.9164.3-111.8-176.9176.2-176.90110.1
51K34.7Very low37.9Very low206 Ų206167.2 Ų167.290%0.89683%0.827SS**PPolyproline II helixtrans-62.4142.3166.8-82.3172.3164.6-1800109.8
52K42.4Very low37.4Very low205 Ų205164.7 Ų164.789%0.89183%0.826SS**PPolyproline II helixtrans-91.9131.8160.6-83.3-178.8173.1-177.40109
53P32.1Very low37.2Very low124 Ų124163.7 Ų163.781%0.80583%0.825SS**PPolyproline II helixtrans-84145.5166.532.5-28.6000110.9
54Q36Very low36.9Very low195 Ų195161.3 Ų161.391%0.91182%0.821SS**PPolyproline II helixtrans-76.5141.7170-71.7169.4-2900109.3
55L34.1Very low36.6Very low162 Ų162160.1 Ų160.185%0.84883%0.826SS**  trans-114.5102.6173.9-157.3131.8000106.8
56N30.7Very low36.1Very low139 Ų139155.2 Ų155.274%0.74382%0.824SS**  trans-83.9128.4166.8-103.29.2000107.5
57L33.9Very low35.3Very low163 Ų163152.8 Ų152.885%0.85383%0.827SS**  trans-122.797.3167.6-17467.5000106.7
58E34.1Very low35.2Very low157 Ų157147.8 Ų147.873%0.73483%0.828SS**  trans-117.3147.3167.4-70.1-177.3123.700108
59T31.6Very low34.4Very low108 Ų108144.2 Ų144.266%0.66383%0.828SS**  trans85.395.7158.9-34.90000117.4D61T59-D61 WeakPolarHBondContact CG2-OD2 3.32Å
60V39Very low34.3Very low152 Ų152138.4 Ų138.492%0.92182%0.82SS**  trans-128.2112.8141.9-75.40000108.5
61D35.9Very low34Very low138 Ų138133.2 Ų133.274%0.73882%0.815SS**  trans-76.8149.5-179.9-70.6-71.6000113.1T59T59-D61 WeakPolarHBondContact CG2-OD2 3.32Å
62X34.9Very low33.8Very low83 Ų83128.2 Ų128.269%0.68681%0.812SS**  trans14.5132.6146.300000120.7
63T35.3Very low33.3Very low124 Ų124122.8 Ų122.876%0.76181%0.805SS**  174.6124.8103.932.90000112.1
64D31.5Very low33.3Very low159 Ų159123.7 Ų123.785%0.8580%0.803SS**  trans36.8126.3137.8-52.4-58.2000122.2
65G37.5Very low33.2Very low80 Ų80118.9 Ų118.983%0.82581%0.807SS**  trans-178.675.8165.700000113.6
66A28.4Very low33.2Very low105 Ų105116 Ų11687%0.86880%0.796SS**  trans-70.5138.9169.200000111.9
67A30.6Very low33.6Very low110 Ų110116.2 Ų116.291%0.90980%0.802SS**  trans151.4135.2138.100000112
68G37Very low33.9Very low80 Ų80116.8 Ų116.883%0.82580%0.8SS**  trans137.369.4156.200000116.1
69S28.3Very low34.3Very low121 Ų121114.3 Ų114.385%0.84680%0.796SS**  trans-64.5139.6155.656.30000110.7
70A33.6Very low34.9Very low94 Ų94115.6 Ų115.678%0.77781%0.807SS**  trans166.5140.4131.600000112.9
71A32.9Very low35.9Very low92 Ų92113.4 Ų113.476%0.7680%0.799SS**  trans66.5107.1150.100000117.6
72A29.7Very low37.3Very low101 Ų101114 Ų11484%0.83580%0.802SS**  57.3103.577.100000112.9
73A33.1Very low39.5Very low91 Ų91115.5 Ų115.575%0.75279%0.79SS**  trans167.6127.9136.300000111.4
74D30.7Very low41.9Very low143 Ų143112.2 Ų112.277%0.76577%0.772SS**  trans5994144-66.6-26.7000120.5T76D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 VanDerWaalsContact O-CB 3.32Å; D74-T76 WeakPolarHBondContact O-CB 3.25Å; D74-T76 PolarHBondContact O-N 2.89Å; D74-T76 PolarHBondContact O-OG1 2.99Å
75G34.5Very low44.8Very low95 Ų95113.1 Ų113.198%0.97977%0.765SS**  61.616.5117.800000119.1
76T33.6Very low47.4Very low102 Ų102115.9 Ų115.963%0.62676%0.756SS**  trans-114.9100-166.3-62.80000110.9D74 E78D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 VanDerWaalsContact O-CB 3.32Å; D74-T76 WeakPolarHBondContact O-CB 3.25Å; D74-T76 PolarHBondContact O-N 2.89Å; D74-T76 PolarHBondContact O-OG1 2.99Å; T76-E78 VanDerWaalsContact O-CG 3.25Å; T76-E78 WeakPolarHBondContact O-CG 3.33Å; T76-E78 PolarHBondContact O-N 3.06Å; T76-E78 VanDerWaalsContact O-N 3.15Å
77V39.5Very low50.4Low142 Ų142115 Ų11586%0.86173%0.734SS**  trans49.155.6145.5-159.50000115.4
78E40.3Very low53.3Low176 Ų176113.8 Ų113.882%0.82271%0.712SS**  trans-109.686.1179-58.8-170.1157.900111.5T76T76-E78 VanDerWaalsContact O-CG 3.25Å; T76-E78 WeakPolarHBondContact O-CG 3.33Å; T76-E78 PolarHBondContact O-N 3.06Å; T76-E78 VanDerWaalsContact O-N 3.15Å
79T42.8Very low56Low104 Ų104112.8 Ų112.864%0.63869%0.687SS**  trans-152.20.4165.18.40000114.9
80C43.7Very low59Low135 Ų135113.1 Ų113.191%0.91268%0.676SS**SBendtrans-90.71-171.9-88.30000115.9
81S61.2Low61.7Low106 Ų106114.6 Ų114.674%0.74166%0.661SS**SBendtrans-131.20.9-167.935.60000117.5
82L64.8Low64.4Low152 Ų152113.4 Ų113.480%0.79664%0.644SS**  trans-13234.2-168.8-60.4178.7000116.8
83Y80.2Confident67.2Low114 Ų114114.4 Ų114.445%0.44763%0.627SS.*  trans-90.6114.4166.5-64.5-60.9000110.5L88 R91Y83-L88 HydrophobicContact CG-CD1 4.44Å; Y83-R91 VanDerWaalsContact CE1-CZ 3.44Å; Y83-R91 VanDerWaalsContact CZ-NH1 3.32Å
84S87.1Confident69.8Low54 Ų54111.9 Ų111.938%0.37861%0.606SS.*  trans-67.8144.8171.986.70000109.8E86 Q87 L88S84-E86 PolarHBondContact O-N 3.38Å; S84-Q87 WeakPolarHBondContact O-CB 3.43Å; S84-Q87 PolarHBondContact O-N 3.22Å; S84-Q87 WeakPolarHBondContact OG-CG 3.15Å; S84-Q87 PolarHBondContact OG-N 3.48Å; S84-L88 WeakPolarHBondContact O-CD1 3.44Å; S84-L88 PolarHBondContact O-N 3.25Å; S84-L88 VanDerWaalsContact O-N 3.17Å
85Y92.1Very high72.5Confident179 Ų179109 Ų10970%0.70259%0.59SS**Hα-helixtrans-48.5-39.8178.6172-103.9000112.6Q87 L88 L89Y85-Q87 PolarHBondContact O-N 3.44Å; Y85-L88 PolarHBondContact O-N 3.09Å; Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 WeakPolarHBondContact O-CB 3.43Å; Y85-L89 PolarHBondContact O-N 2.96Å
86E91.9Very high74.8Confident137 Ų137108.9 Ų108.964%0.6457%0.565SS**Hα-helixtrans-62.3-41.4177.6-59.3-171.5163.100112.6S84 L89 Q90S84-E86 PolarHBondContact O-N 3.38Å; E86-L89 PolarHBondContact O-N 3.41Å; E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.35Å; E86-Q90 PolarHBondContact O-N 2.93Å
87Q90.9Very high77.1Confident87 Ų87111.1 Ų111.141%0.40756%0.562SS.*Hα-helixtrans-66.2-41.5177.1-70175.21.400111.9S84 Y85 L89 Q90 R91S84-Q87 WeakPolarHBondContact O-CB 3.43Å; S84-Q87 PolarHBondContact O-N 3.22Å; S84-Q87 WeakPolarHBondContact OG-CG 3.15Å; S84-Q87 PolarHBondContact OG-N 3.48Å; Y85-Q87 PolarHBondContact O-N 3.44Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.24Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 3.31Å; Q87-R91 VanDerWaalsContact O-N 3.09Å
88L92.1Very high79.2Confident85 Ų85111.5 Ų111.545%0.44555%0.554SS.*Hα-helixtrans-62.3-42.7174.1-73.293.2000110.7Y83 S84 Y85 R91 V92Y83-L88 HydrophobicContact CG-CD1 4.44Å; S84-L88 WeakPolarHBondContact O-CD1 3.44Å; S84-L88 PolarHBondContact O-N 3.25Å; S84-L88 VanDerWaalsContact O-N 3.17Å; Y85-L88 PolarHBondContact O-N 3.09Å; L88-R91 WeakPolarHBondContact O-CB 3.48Å; L88-R91 PolarHBondContact O-N 2.96Å; L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 3.41Å
89L92.7Very high81Confident58 Ų58109.9 Ų109.930%0.30455%0.545SS..Hα-helixtrans-63.7-43.8-179-174.361000111.7Y85 E86 Q87 R91 V92 Y93Y85-L89 HydrophobicContact CE1-CD2 4.19Å; Y85-L89 WeakPolarHBondContact O-CB 3.43Å; Y85-L89 PolarHBondContact O-N 2.96Å; E86-L89 PolarHBondContact O-N 3.41Å; Q87-L89 VanDerWaalsContact C-N 3.31Å; Q87-L89 PolarHBondContact O-N 3.24Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-V92 PolarHBondContact O-N 3.14Å; L89-Y93 HydrophobicContact CD1-CD2 3.96Å; L89-Y93 HydrophobicContact CD1-CE2 3.41Å; L89-Y93 VanDerWaalsContact CD1-CE2 3.41Å; L89-Y93 HydrophobicContact CD2-CE2 4.05Å; L89-Y93 HydrophobicContact CG-CD2 3.85Å; L89-Y93 HydrophobicContact CG-CE2 3.49Å; L89-Y93 VanDerWaalsContact CG-CE2 3.49Å; L89-Y93 WeakPolarHBondContact O-CD2 3.48Å; L89-Y93 PolarHBondContact O-N 3.35Å
90Q91.4Very high82.5Confident129 Ų129106 Ų10660%0.60352%0.52SS*.Hα-helixtrans-59.8-42174.7-74175.32.400111.9E86 Q87 Y93 A94E86-Q90 VanDerWaalsContact O-CG 3.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.35Å; E86-Q90 PolarHBondContact O-N 2.93Å; Q87-Q90 PolarHBondContact O-N 3.48Å; Q90-Y93 PolarHBondContact O-N 2.91Å; Q90-A94 PolarHBondContact O-N 3.49Å
91R90.5Very high84.1Confident124 Ų124103 Ų10347%0.46850%0.499SS..Hα-helixtrans-62.7-43.9174.8-72174.2-178.7-171.5-1.9112.2Y83 Q87 L88 L89 Y93 A94 I95Y83-R91 VanDerWaalsContact CE1-CZ 3.44Å; Y83-R91 VanDerWaalsContact CZ-NH1 3.32Å; Q87-R91 WeakPolarHBondContact O-CG 3.31Å; Q87-R91 PolarHBondContact O-N 3.31Å; Q87-R91 VanDerWaalsContact O-N 3.09Å; L88-R91 WeakPolarHBondContact O-CB 3.48Å; L88-R91 PolarHBondContact O-N 2.96Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.48Å; R91-Y93 PolarHBondContact O-N 2.98Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 3.01Å; R91-I95 WeakPolarHBondContact O-CG1 3.16Å; R91-I95 PolarHBondContact O-N 3.05Å
92V89.7Confident84.4Confident68 Ų68101.6 Ų101.641%0.41248%0.483SS..Hα-helixtrans-61.2-45177.4171.90000110.9L88 L89 A94 I95 M96L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 3.41Å; L89-V92 PolarHBondContact O-N 3.14Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 3.17Å; V92-I95 PolarHBondContact O-N 3.05Å; V92-M96 HydrophobicContact CG1-CE 3.98Å; V92-M96 HydrophobicContact CG1-CG 4.34Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.33Å; V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å
93Y87.8Confident84.6Confident122 Ų12298.9 Ų98.948%0.47847%0.469SS..Hα-helixtrans-66.9-31.3176.5-75.3-59.9000113.4L89 Q90 R91 R97L89-Y93 HydrophobicContact CD1-CD2 3.96Å; L89-Y93 HydrophobicContact CD1-CE2 3.41Å; L89-Y93 VanDerWaalsContact CD1-CE2 3.41Å; L89-Y93 HydrophobicContact CD2-CE2 4.05Å; L89-Y93 HydrophobicContact CG-CD2 3.85Å; L89-Y93 HydrophobicContact CG-CE2 3.49Å; L89-Y93 VanDerWaalsContact CG-CE2 3.49Å; L89-Y93 WeakPolarHBondContact O-CD2 3.48Å; L89-Y93 PolarHBondContact O-N 3.35Å; Q90-Y93 PolarHBondContact O-N 2.91Å; R91-Y93 PolarHBondContact O-N 2.98Å; Y93-R97 WeakPolarHBondContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CG 3.18Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 VanDerWaalsContact O-N 3.08Å; Y93-R97 PolarHBondContact O-NE 3.08Å; Y93-R97 VanDerWaalsContact O-NE 3.17Å
94A88.2Confident83.9Confident37 Ų3796.9 Ų96.931%0.30647%0.468SS..Hα-helixtrans-63.8-52.7171.700000110.9Q90 R91 V92 M96 R97 E98Q90-A94 PolarHBondContact O-N 3.49Å; R91-A94 WeakPolarHBondContact O-CB 3.38Å; R91-A94 PolarHBondContact O-N 3.01Å; V92-A94 VanDerWaalsContact C-N 3.33Å; V92-A94 PolarHBondContact O-N 3.17Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 2.82Å; A94-R97 PolarHBondContact O-N 3.43Å; A94-R97 VanDerWaalsContact O-N 3.14Å; A94-E98 WeakPolarHBondContact O-CG 2.84Å; A94-E98 PolarHBondContact O-N 2.86Å
95I87Confident83.1Confident83 Ų8399 Ų9943%0.42648%0.479SS..Hα-helixtrans-61.3-40.3178.9-63.7165.4000111.5R91 V92 E98 K99R91-I95 WeakPolarHBondContact O-CG1 3.16Å; R91-I95 PolarHBondContact O-N 3.05Å; V92-I95 PolarHBondContact O-N 3.05Å; I95-E98 PolarHBondContact O-N 3.46Å; I95-K99 HydrophobicContact CG2-CD 3.94Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 PolarHBondContact O-N 3Å
96M83.5Confident81.9Confident93 Ų9393.2 Ų93.246%0.45847%0.474SS..Hα-helixtrans-65.3-38.7177.3-78.7-167.4176.600112.2V92 A94 N100V92-M96 HydrophobicContact CG1-CE 3.98Å; V92-M96 HydrophobicContact CG1-CG 4.34Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CB 3.33Å; V92-M96 WeakPolarHBondContact O-CG 3.36Å; V92-M96 PolarHBondContact O-N 3.35Å; A94-M96 VanDerWaalsContact C-N 3.32Å; A94-M96 PolarHBondContact O-N 2.82Å; M96-N100 CarbonylContact O-C 3.49Å; M96-N100 VanDerWaalsContact O-C 3.25Å; M96-N100 WeakPolarHBondContact O-CA 3.42Å; M96-N100 PolarHBondContact O-N 2.79Å
97R82.7Confident80.6Confident148 Ų14893.6 Ų93.656%0.55848%0.476SS*.Hα-helixtrans-66.4-39.8175.4-80.8-177.8-77.6-153.82112.1Y93 A94 V104Y93-R97 WeakPolarHBondContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CG 3.18Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 VanDerWaalsContact O-N 3.08Å; Y93-R97 PolarHBondContact O-NE 3.08Å; Y93-R97 VanDerWaalsContact O-NE 3.17Å; A94-R97 PolarHBondContact O-N 3.43Å; A94-R97 VanDerWaalsContact O-N 3.14Å; R97-V104 HydrophobicContact CG-CB 4.16Å; R97-V104 HydrophobicContact CG-CG1 3.9Å; R97-V104 HydrophobicContact CG-CG2 3.74Å
98E83.3Confident79.3Confident150 Ų15097.4 Ų97.470%0.70149%0.491SS*.Hα-helixtrans-65.9-48.1177.7-71.8170.1-169.600112.2A94 I95A94-E98 WeakPolarHBondContact O-CG 2.84Å; A94-E98 PolarHBondContact O-N 2.86Å; I95-E98 PolarHBondContact O-N 3.46Å
99K78.3Confident77.9Confident142 Ų142100.6 Ų100.662%0.61750%0.502SS*.Hα-helixtrans-82.2-36.2-175.3-66-177.1179.6179.80113.2I95I95-K99 HydrophobicContact CG2-CD 3.94Å; I95-K99 HydrophobicContact CG2-CG 4.43Å; I95-K99 PolarHBondContact O-N 3Å
100N74.1Confident76.7Confident23 Ų23106.8 Ų106.812%0.12353%0.526CS..  trans-137.169.6-171.1-56.3-38.8000111.1M96 D102 L103 T213M96-N100 CarbonylContact O-C 3.49Å; M96-N100 VanDerWaalsContact O-C 3.25Å; M96-N100 WeakPolarHBondContact O-CA 3.42Å; M96-N100 PolarHBondContact O-N 2.79Å; N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.16Å; N100-L103 HydrophobicContact CB-CB 4.14Å; N100-L103 HydrophobicContact CB-CD1 4.29Å; N100-L103 PolarHBondContact O-N 3.1Å; N100-L103 VanDerWaalsContact O-N 3.15Å; N100-T213 WeakPolarHBondContact OD1-CG2 3.34Å; N100-T213 PolarHBondContact OD1-O 3.03Å
101P76.9Confident75.6Confident73 Ų73104.2 Ų104.247%0.47451%0.513SS..Hα-helixtrans-56.8-35.7177.623.9-33.7000111.4L103 V104 T105P101-L103 VanDerWaalsContact C-N 3.3Å; P101-L103 PolarHBondContact O-N 2.77Å; P101-V104 PolarHBondContact O-N 2.81Å; P101-V104 VanDerWaalsContact O-N 3.16Å; P101-T105 PolarHBondContact O-N 3.03Å; P101-T105 PolarHBondContact O-OG1 2.87Å
102D67.9Low74.8Confident75 Ų75104.5 Ų104.540%0.40153%0.528SS..Hα-helixtrans-65.3-26.9-178-67-16.3000114.3N100 K109N100-D102 PolarHBondContact O-N 2.92Å; N100-D102 VanDerWaalsContact O-N 3.16Å; D102-K109 WeakPolarHBondContact OD1-CE 3.38Å; D102-K109 IonicContact OD1-NZ 2.67Å; D102-K109 PolarHBondContact OD1-NZ 3.05Å; D102-K109 WeakPolarHBondContact OD2-CE 3.36Å; D102-K109 IonicContact OD2-NZ 2.8Å; D102-K109 PolarHBondContact OD2-NZ 2.81Å
103L68.5Low74.2Confident95 Ų95103.6 Ų103.650%0.49752%0.52SS..Hα-helixtrans-76.5-32.1176.6-10178.6000111.7N100 P101 G106 C193N100-L103 HydrophobicContact CB-CB 4.14Å; N100-L103 HydrophobicContact CB-CD1 4.29Å; N100-L103 PolarHBondContact O-N 3.1Å; N100-L103 VanDerWaalsContact O-N 3.15Å; P101-L103 VanDerWaalsContact C-N 3.3Å; P101-L103 PolarHBondContact O-N 2.77Å; L103-G106 PolarHBondContact O-N 3.16Å; L103-C193 HydrophobicContact CD1-CB 4.16Å
104V66.1Low74.1Confident72 Ų72101.8 Ų101.844%0.43652%0.515SS..Hα-helixtrans-77.2-33.6-174.4-176.60000111.3R97 P101 G106R97-V104 HydrophobicContact CG-CB 4.16Å; R97-V104 HydrophobicContact CG-CG1 3.9Å; R97-V104 HydrophobicContact CG-CG2 3.74Å; P101-V104 PolarHBondContact O-N 2.81Å; P101-V104 VanDerWaalsContact O-N 3.16Å; V104-G106 PolarHBondContact O-N 3.17Å
105T69Low74.1Confident98 Ų98103.9 Ų103.960%0.60153%0.525SS*.THydrogen-bonded Turntrans-69.3-11.7176-49.50000112.7P101 E107P101-T105 PolarHBondContact O-N 3.03Å; P101-T105 PolarHBondContact O-OG1 2.87Å; T105-E107 HydrophobicContact CG2-CB 4.5Å; T105-E107 HydrophobicContact CG2-CG 4.26Å; T105-E107 PolarHBondContact O-N 3.34Å
106G67.8Low74.2Confident59 Ų59100.1 Ų100.161%0.60851%0.506SS*.  trans71.7-13.3177.900000114.7L103 V104 K108L103-G106 PolarHBondContact O-N 3.16Å; V104-G106 PolarHBondContact O-N 3.17Å; G106-K108 PolarHBondContact O-N 3Å
107E63.7Low74.6Confident144 Ų14499.8 Ų99.867%0.67350%0.504SS*.  trans-76.792.4173.7-65.2-172.6168.600110.1T105 K109T105-E107 HydrophobicContact CG2-CB 4.5Å; T105-E107 HydrophobicContact CG2-CG 4.26Å; T105-E107 PolarHBondContact O-N 3.34Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.08Å
108K64.2Low75.1Confident168 Ų16894.5 Ų94.573%0.7349%0.488SS*.  trans-57.799165.8-65.8169.3-173.9157.70107.8G106 K110G106-K108 PolarHBondContact O-N 3Å; K108-K110 PolarHBondContact O-N 3.16Å
109K63.5Low75.5Confident151 Ų15191.9 Ų91.966%0.65748%0.478SS*.  trans-53.1105.7174.3-72.3-179.6-177.4164.30107.9D102 E107 F111D102-K109 WeakPolarHBondContact OD1-CE 3.38Å; D102-K109 IonicContact OD1-NZ 2.67Å; D102-K109 PolarHBondContact OD1-NZ 3.05Å; D102-K109 WeakPolarHBondContact OD2-CE 3.36Å; D102-K109 IonicContact OD2-NZ 2.8Å; D102-K109 PolarHBondContact OD2-NZ 2.81Å; E107-K109 VanDerWaalsContact C-N 3.33Å; E107-K109 PolarHBondContact O-N 3.08Å; K109-F111 PolarHBondContact O-N 3.29Å; K109-F111 VanDerWaalsContact O-N 3.12Å
110K66.7Low76.1Confident189 Ų18994.4 Ų94.482%0.82248%0.484SS*.  trans-66.3115.4171.4-67.2176.3-174.9172.30104.9K108 V112K108-K110 PolarHBondContact O-N 3.16Å; K110-V112 PolarHBondContact O-N 3.33Å
111F69.3Low76.7Confident75 Ų7596.7 Ų96.733%0.32950%0.498SS..  trans-57.1108.3174.1-177.6-100.8000108.8K109 M113 L137 L138 I184 A196K109-F111 PolarHBondContact O-N 3.29Å; K109-F111 VanDerWaalsContact O-N 3.12Å; F111-M113 HydrophobicContact CD1-CB 4.06Å; F111-M113 HydrophobicContact CE1-CB 3.99Å; F111-M113 HydrophobicContact CE1-CG 4.45Å; F111-M113 PolarHBondContact O-N 3.34Å; F111-L137 HydrophobicContact CE1-CD2 3.86Å; F111-L137 HydrophobicContact CE2-CD2 3.53Å; F111-L137 HydrophobicContact CZ-CD2 3.03Å; F111-L138 HydrophobicContact CE1-CD2 3.61Å; F111-L138 HydrophobicContact CZ-CD2 3.46Å; F111-L138 VanDerWaalsContact CZ-CD2 3.46Å; F111-L138 HydrophobicContact CZ-CG 4.38Å; F111-I184 HydrophobicContact CD1-CD1 4.26Å; F111-I184 HydrophobicContact CE1-CD1 4.19Å; F111-A196 HydrophobicContact CD2-CB 3.94Å; F111-A196 HydrophobicContact CE2-CB 4.18Å
112V72.9Confident77.3Confident130 Ų13096.1 Ų96.179%0.78851%0.506SS*.  trans-81.1102.7178.3-177.40000106.9K110K110-V112 PolarHBondContact O-N 3.33Å
113M78Confident78.4Confident48 Ų4896 Ų9624%0.23651%0.51CS..PPolyproline II helixtrans-92.3140.1176.6180174.7164.300109.9F111 I134 L180 I184F111-M113 HydrophobicContact CD1-CB 4.06Å; F111-M113 HydrophobicContact CE1-CB 3.99Å; F111-M113 HydrophobicContact CE1-CG 4.45Å; F111-M113 PolarHBondContact O-N 3.34Å; M113-I134 HydrophobicContact CE-CB 4.47Å; M113-I134 HydrophobicContact CE-CD1 3.67Å; M113-I134 HydrophobicContact CE-CG1 4.02Å; M113-I134 HydrophobicContact CE-CG2 3.62Å; M113-L180 HydrophobicContact CE-CB 4.05Å; M113-L180 HydrophobicContact CE-CD1 3.47Å; M113-L180 VanDerWaalsContact CE-CD1 3.47Å; M113-L180 HydrophobicContact CE-CD2 4.41Å; M113-L180 HydrophobicContact CE-CG 4.15Å; M113-L180 HydrophobicContact SD-CB 4.44Å; M113-I184 HydrophobicContact SD-CD1 3.76Å
114K83.8Confident79.4Confident84 Ų8499.4 Ų99.437%0.36552%0.521SS..PPolyproline II helixtrans-63.2130.8168.8-170.4178.4178.8-1720109.1E117 N130 E133K114-E117 IonicContact NZ-OE1 3.9Å; K114-N130 WeakPolarHBondContact CE-ND2 3.21Å; K114-N130 PolarHBondContact NZ-ND2 3.43Å; K114-E133 IonicContact NZ-OE1 3.85Å; K114-E133 IonicContact NZ-OE2 2.72Å; K114-E133 PolarHBondContact NZ-OE2 3.42Å
115P88.1Confident80.6Confident81 Ų81101.5 Ų101.553%0.52652%0.524SS..PPolyproline II helixtrans-60.5140.7179.624.7-33.7000110.7E117P115-E117 PolarHBondContact O-N 2.95Å
116P90.6Very high81.8Confident4 Ų497 Ų973%0.02650%0.497CS..PPolyproline II helixtrans-71.4119.4-176.626.1-31.8000110.7F128 Q173 F176 E177 L180P116-F128 HydrophobicContact CB-CD2 4.26Å; P116-F128 HydrophobicContact CB-CE2 3.37Å; P116-F128 HydrophobicContact CB-CZ 3.54Å; P116-Q173 HydrophobicContact CG-CG 3.98Å; P116-Q173 VanDerWaalsContact O-CG 3.26Å; P116-Q173 WeakPolarHBondContact O-CG 3.48Å; P116-Q173 PolarHBondContact O-NE2 3.16Å; P116-F176 HydrophobicContact CB-CB 4.3Å; P116-F176 HydrophobicContact CG-CB 4.2Å; P116-E177 HydrophobicContact CG-CB 4.45Å; P116-L180 HydrophobicContact CB-CD1 4.24Å; P116-L180 HydrophobicContact CG-CD1 4.44Å
117E91.8Very high83.1Confident87 Ų8794.1 Ų94.141%0.40747%0.468SS..PPolyproline II helixtrans-84.2117.8177.7-74.6172.4-139.200111K114 P115 F128 A129 N130K114-E117 IonicContact NZ-OE1 3.9Å; P115-E117 PolarHBondContact O-N 2.95Å; E117-F128 WeakPolarHBondContact O-CD2 3.42Å; E117-A129 HydrophobicContact CB-CB 4.32Å; E117-A129 PolarHBondContact O-N 3.46Å; E117-N130 WeakPolarHBondContact CG-ND2 3.44Å; E117-N130 PolarHBondContact OE1-ND2 3.12Å
118V92.5Very high84.5Confident37 Ų3787.3 Ų87.322%0.22444%0.436CS..EExtended strand (participates in β ladder)trans-114.4113.6-173.7-178.20000109.7T126 A127 Q173 F176V118-T126 HydrophobicContact CG1-CG2 3.14Å; V118-A127 CarbonylContact C-O 3.25Å; V118-A127 WeakPolarHBondContact CA-O 3.44Å; V118-Q173 HydrophobicContact CG2-CB 4.26Å; V118-Q173 HydrophobicContact CG2-CG 4.37Å; V118-F176 HydrophobicContact CB-CE2 4.41Å; V118-F176 HydrophobicContact CG1-CD2 4.43Å; V118-F176 HydrophobicContact CG1-CE2 3.81Å; V118-F176 HydrophobicContact CG2-CD2 3.51Å; V118-F176 HydrophobicContact CG2-CE2 3.61Å; V118-F176 HydrophobicContact CG2-CG 4.31Å; V118-F176 HydrophobicContact CG2-CZ 4.46Å
119L92Very high85.9Confident94 Ų9480.1 Ų80.149%0.49241%0.408SS..EExtended strand (participates in β ladder)trans-102.2146.2176.5-63.2177.8000110.2A127 A129L119-A127 HydrophobicContact CB-CB 4.38Å; L119-A127 PolarHBondContact N-O 3.25Å; L119-A127 PolarHBondContact O-N 2.7Å; L119-A127 VanDerWaalsContact O-O 3.09Å; L119-A129 HydrophobicContact CD1-CB 4.25Å
120R90.1Very high87.2Confident196 Ų19673.5 Ų73.574%0.7438%0.379SS*.EExtended strand (participates in β ladder)trans-94.6114.4175.4-67.2-175.2-180179.63109.4G122R120-G122 PolarHBondContact O-N 2.73Å
121V88.4Confident88.5Confident71 Ų7164.6 Ų64.643%0.4334%0.341SS..  trans-98.481.4174.4-178.20000107.6K125 A127V121-K125 CarbonylContact C-O 3.59Å; V121-K125 PolarHBondContact N-O 3.09Å; V121-K125 VanDerWaalsContact N-O 3.15Å; V121-K125 WeakPolarHBondContact O-CB 3.32Å; V121-A127 HydrophobicContact CG2-CB 3.44Å; V121-A127 VanDerWaalsContact CG2-CB 3.44Å
122G89.1Confident89.6Confident61 Ų6161.7 Ų61.763%0.62933%0.331SS*.SBendtrans78.1-161.7-175.400000114.4R120R120-G122 PolarHBondContact O-N 2.73Å
123S89.4Confident90.5Very high72 Ų7259.8 Ų59.850%0.50331%0.313SS..SBendtrans-82.2-28.8-169.7179.30000114R170S123-R170 WeakPolarHBondContact O-CG 3.44Å; S123-R170 PolarHBondContact O-NE 3.05Å; S123-R170 PolarHBondContact O-NH2 2.61Å; S123-R170 PolarHBondContact OG-NH2 3.19Å
124K89.9Confident91.2Very high167 Ų16757.7 Ų57.773%0.72630%0.303SS*.SBendtrans-1244.9-171.9-63.1-179.3-178175.30113.7G169K124-G169 PolarHBondContact O-N 2.93Å
125K93Very high91.6Very high115 Ų11553.9 Ų53.950%0.529%0.287SS..EExtended strand (participates in β ladder)trans-125.5143.7176.7-48.2176.7179.1178.60109.9V121 I166 M167 G169V121-K125 CarbonylContact C-O 3.59Å; V121-K125 PolarHBondContact N-O 3.09Å; V121-K125 VanDerWaalsContact N-O 3.15Å; V121-K125 WeakPolarHBondContact O-CB 3.32Å; K125-I166 HydrophobicContact CB-CG2 4.23Å; K125-I166 HydrophobicContact CD-CG2 4.25Å; K125-M167 WeakPolarHBondContact CA-O 3.4Å; K125-G169 CarbonylContact C-O 3.59Å
126T94Very high91.8Very high3 Ų358 Ų582%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-122.7128.2177.3-55.30000107.4V118 M167 G169 F171 F176V118-T126 HydrophobicContact CG1-CG2 3.14Å; T126-M167 PolarHBondContact N-O 3.01Å; T126-M167 PolarHBondContact O-N 3.3Å; T126-G169 PolarHBondContact N-O 3.05Å; T126-G169 PolarHBondContact OG1-O 3.28Å; T126-F171 HydrophobicContact CG2-CB 4.32Å; T126-F171 PolarHBondContact OG1-N 3.45Å; T126-F171 VanDerWaalsContact OG1-N 3.15Å; T126-F176 HydrophobicContact CG2-CE2 4.15Å; T126-F176 HydrophobicContact CG2-CZ 4.35Å
127A93.9Very high91.8Very high0 Ų061.8 Ų61.80%031%0.312CS..EExtended strand (participates in β ladder)trans-99.2136.4173.300000110.1V118 L119 V121 L165V118-A127 CarbonylContact C-O 3.25Å; V118-A127 WeakPolarHBondContact CA-O 3.44Å; L119-A127 HydrophobicContact CB-CB 4.38Å; L119-A127 PolarHBondContact N-O 3.25Å; L119-A127 PolarHBondContact O-N 2.7Å; L119-A127 VanDerWaalsContact O-O 3.09Å; V121-A127 HydrophobicContact CG2-CB 3.44Å; V121-A127 VanDerWaalsContact CG2-CB 3.44Å; A127-L165 CarbonylContact C-O 3.58Å; A127-L165 WeakPolarHBondContact CA-O 3.27Å
128F94.1Very high91.8Very high0 Ų057.9 Ų57.90%029%0.293CS..EExtended strand (participates in β ladder)trans-106.5104.7172178.4-166.4000107.6P116 E117 N130 F131 I134 Q164 L165 F176 L180P116-F128 HydrophobicContact CB-CD2 4.26Å; P116-F128 HydrophobicContact CB-CE2 3.37Å; P116-F128 HydrophobicContact CB-CZ 3.54Å; E117-F128 WeakPolarHBondContact O-CD2 3.42Å; F128-N130 HydrophobicContact CE2-CB 4.35Å; F128-F131 HydrophobicContact CD1-CB 4.02Å; F128-F131 AromaticContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CG 4.4Å; F128-F131 HydrophobicContact CE1-CB 4.32Å; F128-F131 AromaticContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CG-CB 4.26Å; F128-I134 HydrophobicContact CE2-CD1 3.8Å; F128-I134 HydrophobicContact CZ-CD1 3.41Å; F128-I134 VanDerWaalsContact CZ-CD1 3.41Å; F128-Q164 WeakPolarHBondContact O-CA 3.4Å; F128-L165 HydrophobicContact CB-CB 4.19Å; F128-L165 HydrophobicContact CD1-CD2 4.47Å; F128-L165 PolarHBondContact N-O 3.15Å; F128-L165 PolarHBondContact O-N 2.91Å; F128-F176 HydrophobicContact CB-CE1 4.1Å; F128-F176 HydrophobicContact CB-CZ 4.2Å; F128-F176 HydrophobicContact CD1-CD1 4Å; F128-F176 AromaticContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CE1-CD1 4.31Å; F128-F176 HydrophobicContact CG-CD1 4.5Å; F128-F176 HydrophobicContact CG-CE1 4.23Å; F128-L180 HydrophobicContact CE1-CD1 4.21Å; F128-L180 HydrophobicContact CZ-CD1 4.05Å
129A92.5Very high91.7Very high18 Ų1862.6 Ų62.615%0.14931%0.311CS..THydrogen-bonded Turntrans-69.3-49.8-170.600000112.1E117 L119 F131E117-A129 HydrophobicContact CB-CB 4.32Å; E117-A129 PolarHBondContact O-N 3.46Å; L119-A129 HydrophobicContact CD1-CB 4.25Å; A129-F131 PolarHBondContact O-N 2.86Å
130N91.5Very high91.8Very high11 Ų1159.1 Ų59.16%0.05929%0.291CS..THydrogen-bonded Turntrans-8426.8-172.9-61.9-9.3000114.3K114 E117 F128 I134K114-N130 WeakPolarHBondContact CE-ND2 3.21Å; K114-N130 PolarHBondContact NZ-ND2 3.43Å; E117-N130 WeakPolarHBondContact CG-ND2 3.44Å; E117-N130 PolarHBondContact OE1-ND2 3.12Å; F128-N130 HydrophobicContact CE2-CB 4.35Å; N130-I134 HydrophobicContact CB-CD1 4.26Å; N130-I134 WeakPolarHBondContact O-CD1 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.3Å; N130-I134 PolarHBondContact O-N 3.44Å
131F93.4Very high91.9Very high3 Ų354.1 Ų54.11%0.01328%0.282CS..Hα-helixtrans-65-48.7-173.2178.2-108000112.2F128 A129 E133 I134 C135 P142 V145 L146 L149 I159 L165F128-F131 HydrophobicContact CD1-CB 4.02Å; F128-F131 AromaticContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CD2 3.88Å; F128-F131 HydrophobicContact CD1-CG 4.4Å; F128-F131 HydrophobicContact CE1-CB 4.32Å; F128-F131 AromaticContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CE1-CD2 3.85Å; F128-F131 HydrophobicContact CG-CB 4.26Å; A129-F131 PolarHBondContact O-N 2.86Å; F131-E133 PolarHBondContact O-N 3.4Å; F131-I134 PolarHBondContact O-N 3.4Å; F131-C135 VanDerWaalsContact CZ-SG 3.59Å; F131-C135 PolarHBondContact O-N 2.8Å; F131-C135 PolarHBondContact O-SG 3.23Å; F131-P142 HydrophobicContact CE1-CB 3.86Å; F131-P142 HydrophobicContact CZ-CB 4.41Å; F131-V145 HydrophobicContact CE2-CB 4.15Å; F131-V145 HydrophobicContact CE2-CG1 3.76Å; F131-V145 HydrophobicContact CZ-CB 4.09Å; F131-V145 HydrophobicContact CZ-CG1 4.22Å; F131-L146 HydrophobicContact CZ-CB 4.19Å; F131-L149 HydrophobicContact CD2-CD1 4.14Å; F131-L149 HydrophobicContact CE2-CD1 3.62Å; F131-I159 HydrophobicContact CD1-CD1 4.5Å; F131-I159 HydrophobicContact CD1-CG1 4.4Å; F131-I159 HydrophobicContact CE1-CD1 3.83Å; F131-I159 HydrophobicContact CE1-CG1 4.07Å; F131-L165 HydrophobicContact CB-CB 3.97Å; F131-L165 HydrophobicContact CD1-CB 4.12Å; F131-L165 HydrophobicContact CD2-CB 4.23Å; F131-L165 HydrophobicContact CD2-CD2 4.03Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CB 3.83Å; F131-L165 HydrophobicContact CG-CD2 4.45Å
132A92.4Very high92.2Very high14 Ų1453.4 Ų53.412%0.11628%0.279CS..Hα-helixtrans-65.3-39.7-179.900000112.8I134 C135 R136 D163A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.08Å; A132-C135 PolarHBondContact O-N 2.67Å; A132-R136 VanDerWaalsContact O-CG 3.3Å; A132-R136 WeakPolarHBondContact O-CG 3.45Å; A132-R136 PolarHBondContact O-N 3.15Å; A132-D163 HydrophobicContact CB-CB 3.63Å
133E92.2Very high92.3Very high89 Ų8958.8 Ų58.842%0.41629%0.285SS..Hα-helixtrans-58.7-45.9176.5-64.2-178.1-179.800111.6K114 F131 C135 R136 L137K114-E133 IonicContact NZ-OE1 3.85Å; K114-E133 IonicContact NZ-OE2 2.72Å; K114-E133 PolarHBondContact NZ-OE2 3.42Å; F131-E133 PolarHBondContact O-N 3.4Å; E133-C135 VanDerWaalsContact C-N 3.35Å; E133-C135 PolarHBondContact O-N 3.44Å; E133-R136 PolarHBondContact O-N 3.39Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 3.18Å
134I92.8Very high92.5Very high4 Ų456.1 Ų56.12%0.02127%0.265CS..Hα-helixtrans-65.7-39.7179-71164.6000110.8M113 F128 N130 F131 A132 R136 L137 L138M113-I134 HydrophobicContact CE-CB 4.47Å; M113-I134 HydrophobicContact CE-CD1 3.67Å; M113-I134 HydrophobicContact CE-CG1 4.02Å; M113-I134 HydrophobicContact CE-CG2 3.62Å; F128-I134 HydrophobicContact CE2-CD1 3.8Å; F128-I134 HydrophobicContact CZ-CD1 3.41Å; F128-I134 VanDerWaalsContact CZ-CD1 3.41Å; N130-I134 HydrophobicContact CB-CD1 4.26Å; N130-I134 WeakPolarHBondContact O-CD1 3.45Å; N130-I134 WeakPolarHBondContact O-CG1 3.3Å; N130-I134 PolarHBondContact O-N 3.44Å; F131-I134 PolarHBondContact O-N 3.4Å; A132-I134 VanDerWaalsContact C-N 3.33Å; A132-I134 PolarHBondContact O-N 3.08Å; I134-R136 PolarHBondContact O-N 3.25Å; I134-L137 PolarHBondContact O-N 3.21Å; I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.5Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.43Å
135C92.6Very high92.7Very high4 Ų448.2 Ų48.23%0.02723%0.23CC..Hα-helixtrans-63.1-41175.8-65.30000112.2F131 A132 E133 L138 K139 R140F131-C135 VanDerWaalsContact CZ-SG 3.59Å; F131-C135 PolarHBondContact O-N 2.8Å; F131-C135 PolarHBondContact O-SG 3.23Å; A132-C135 PolarHBondContact O-N 2.67Å; E133-C135 VanDerWaalsContact C-N 3.35Å; E133-C135 PolarHBondContact O-N 3.44Å; C135-L138 PolarHBondContact O-N 3.13Å; C135-K139 PolarHBondContact O-N 2.94Å; C135-K139 VanDerWaalsContact O-N 3.15Å; C135-R140 PolarHBondContact O-N 3.49Å; C135-R140 VanDerWaalsContact O-N 3.12Å
136R91.6Very high92.8Very high169 Ų16944 Ų4464%0.63821%0.214SC*.Hα-helixtrans-64.4-44.6176.3-69.3173.2-162.6162.88.5111.2A132 E133 I134 L138 K139 D163A132-R136 VanDerWaalsContact O-CG 3.3Å; A132-R136 WeakPolarHBondContact O-CG 3.45Å; A132-R136 PolarHBondContact O-N 3.15Å; E133-R136 PolarHBondContact O-N 3.39Å; I134-R136 PolarHBondContact O-N 3.25Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.1Å; R136-K139 PolarHBondContact O-N 3.08Å; R136-K139 VanDerWaalsContact O-N 3.08Å; R136-D163 IonicContact NH2-OD2 3.03Å; R136-D163 PolarHBondContact NH2-OD2 3.39Å
137L91.4Very high92.7Very high83 Ų8346 Ų4644%0.43523%0.23SC..Hα-helixtrans-62.8-39.2178.4-161161.2000111.7F111 E133 I134 K139F111-L137 HydrophobicContact CE1-CD2 3.86Å; F111-L137 HydrophobicContact CE2-CD2 3.53Å; F111-L137 HydrophobicContact CZ-CD2 3.03Å; E133-L137 WeakPolarHBondContact O-CB 3.18Å; E133-L137 PolarHBondContact O-N 3.18Å; I134-L137 PolarHBondContact O-N 3.21Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.87Å
138L91Very high92.8Very high4 Ų446.2 Ų46.22%0.02123%0.231CC..THydrogen-bonded Turntrans-77.1-6.6176.2-65.5168.9000113.9F111 I134 C135 R136 R140 Y183 I184 V188F111-L138 HydrophobicContact CE1-CD2 3.61Å; F111-L138 HydrophobicContact CZ-CD2 3.46Å; F111-L138 VanDerWaalsContact CZ-CD2 3.46Å; F111-L138 HydrophobicContact CZ-CG 4.38Å; I134-L138 HydrophobicContact CG2-CD1 3.75Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 WeakPolarHBondContact O-CB 3.5Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 3.43Å; C135-L138 PolarHBondContact O-N 3.13Å; R136-L138 VanDerWaalsContact C-N 3.32Å; R136-L138 PolarHBondContact O-N 3.1Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 HydrophobicContact CB-CG 4.33Å; L138-R140 PolarHBondContact O-N 3.23Å; L138-Y183 HydrophobicContact CD1-CD1 4.4Å; L138-Y183 HydrophobicContact CD1-CE1 4.37Å; L138-I184 HydrophobicContact CD2-CD1 4.2Å; L138-I184 HydrophobicContact CD2-CG1 3.9Å; L138-V188 HydrophobicContact CD2-CG1 4.06Å; L138-V188 HydrophobicContact CD2-CG2 4.17Å
139K91.6Very high92.8Very high137 Ų13746.3 Ų46.360%0.59623%0.231SC*.THydrogen-bonded Turntrans53.147-174-54171.8-174.4170.50111.7C135 R136 L137 D197C135-K139 PolarHBondContact O-N 2.94Å; C135-K139 VanDerWaalsContact O-N 3.15Å; R136-K139 PolarHBondContact O-N 3.08Å; R136-K139 VanDerWaalsContact O-N 3.08Å; L137-K139 VanDerWaalsContact C-N 3.26Å; L137-K139 PolarHBondContact O-N 2.87Å; K139-D197 IonicContact NZ-OD1 2.81Å; K139-D197 PolarHBondContact NZ-OD1 2.82Å
140R92.9Very high92.8Very high21 Ų2147 Ų478%0.07923%0.232CC..  trans-128.2153.2180-68.3-64.9178.2-91.31.9111.9C135 L138 V145 Y183 Y187 V188 T198C135-R140 PolarHBondContact O-N 3.49Å; C135-R140 VanDerWaalsContact O-N 3.12Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 HydrophobicContact CB-CG 4.33Å; L138-R140 PolarHBondContact O-N 3.23Å; R140-V145 HydrophobicContact CB-CG2 4.09Å; R140-Y183 HydrophobicContact CG-CE1 4.46Å; R140-Y187 PolarHBondContact NE-O 2.88Å; R140-Y187 PolarHBondContact NH2-O 3.01Å; R140-V188 HydrophobicContact CG-CG2 4.47Å; R140-T198 PolarHBondContact NH1-O 3.39Å; R140-T198 PolarHBondContact NH2-O 3.13Å; R140-T198 VanDerWaalsContact NH2-O 3.09Å; R140-T198 PolarHBondContact NH2-OG1 3.11Å
141T92.6Very high92.9Very high90 Ų9047.6 Ų47.655%0.55224%0.239SC*.  trans-70135.8176.261.50000110.2K143 H144 V145T141-K143 PolarHBondContact O-N 3.5Å; T141-H144 PolarHBondContact O-N 3.25Å; T141-H144 VanDerWaalsContact O-N 3.13Å; T141-H144 WeakPolarHBondContact OG1-CB 3.38Å; T141-V145 PolarHBondContact O-N 3.09Å
142P93.6Very high92.9Very high56 Ų5651.3 Ų51.336%0.36426%0.256SS..Hα-helixtrans-63.3-30-177.223.7-33.3000112F131 H144 V145 L146 I159F131-P142 HydrophobicContact CE1-CB 3.86Å; F131-P142 HydrophobicContact CZ-CB 4.41Å; P142-H144 VanDerWaalsContact C-N 3.34Å; P142-H144 PolarHBondContact O-N 3.06Å; P142-V145 PolarHBondContact O-N 3.04Å; P142-L146 WeakPolarHBondContact O-CB 3.48Å; P142-L146 PolarHBondContact O-N 3.03Å; P142-I159 HydrophobicContact CB-CD1 4.21Å
143K92.8Very high92.8Very high174 Ų17452.1 Ų52.176%0.75726%0.258SS*.Hα-helixtrans-60.7-40.6175.8-66.1-177.3179.2176.60112.5T141 A147T141-K143 PolarHBondContact O-N 3.5Å; K143-A147 PolarHBondContact O-N 3.18Å; K143-A147 VanDerWaalsContact O-N 3.08Å
144H93.7Very high92.7Very high16 Ų1649.6 Ų49.67%0.07426%0.257CS..Hα-helixtrans-70.6-46.3-179.4-174-93.3000111.5T141 P142 L146 A147 F148 Y183 Y187 I223T141-H144 PolarHBondContact O-N 3.25Å; T141-H144 VanDerWaalsContact O-N 3.13Å; T141-H144 WeakPolarHBondContact OG1-CB 3.38Å; P142-H144 VanDerWaalsContact C-N 3.34Å; P142-H144 PolarHBondContact O-N 3.06Å; H144-L146 VanDerWaalsContact C-N 3.32Å; H144-L146 PolarHBondContact O-N 2.94Å; H144-A147 PolarHBondContact O-N 2.98Å; H144-F148 PolarHBondContact O-N 2.94Å; H144-F148 VanDerWaalsContact O-N 3.14Å; H144-Y183 AromaticContact CE1-CE2 3.87Å; H144-Y183 AromaticContact ND1-CE2 3.65Å; H144-Y183 AromaticContact ND1-CZ 3.7Å; H144-Y183 PolarHBondContact ND1-OH 3.49Å; H144-Y187 AromaticContact CE1-CD1 3.45Å; H144-Y187 VanDerWaalsContact CE1-CD1 3.45Å; H144-Y187 WeakPolarHBondContact CE1-CD1 3.43Å; H144-Y187 AromaticContact CE1-CE1 3.75Å; H144-Y187 AromaticContact CE1-CG 3.92Å; H144-I223 WeakPolarHBondContact NE2-CD1 3.24Å; H144-I223 WeakPolarHBondContact O-CD1 3.34Å
145V93.8Very high92.5Very high1 Ų150.8 Ų50.81%0.00626%0.264CS..Hα-helixtrans-62.5-41.7176.9-173.40000110.7F131 R140 T141 P142 F148 L149 Y183F131-V145 HydrophobicContact CE2-CB 4.15Å; F131-V145 HydrophobicContact CE2-CG1 3.76Å; F131-V145 HydrophobicContact CZ-CB 4.09Å; F131-V145 HydrophobicContact CZ-CG1 4.22Å; R140-V145 HydrophobicContact CB-CG2 4.09Å; T141-V145 PolarHBondContact O-N 3.09Å; P142-V145 PolarHBondContact O-N 3.04Å; V145-F148 PolarHBondContact O-N 3.49Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.17Å; V145-Y183 HydrophobicContact CG2-CE1 3.88Å; V145-Y183 WeakPolarHBondContact CG2-OH 3.16Å
146L93.9Very high92.4Very high28 Ų2853.3 Ų53.315%0.14728%0.282CS..Hα-helixtrans-57.9-50.6176.2177.665.3000111.4F131 P142 H144 F148 L149 L150 I159 L165F131-L146 HydrophobicContact CZ-CB 4.19Å; P142-L146 WeakPolarHBondContact O-CB 3.48Å; P142-L146 PolarHBondContact O-N 3.03Å; H144-L146 VanDerWaalsContact C-N 3.32Å; H144-L146 PolarHBondContact O-N 2.94Å; L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.29Å; L146-L149 PolarHBondContact O-N 3.44Å; L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.12Å; L146-L150 HydrophobicContact CG-CD1 4.05Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.38Å; L146-I159 HydrophobicContact CD2-CD1 4Å; L146-I159 HydrophobicContact CD2-CG1 4.09Å; L146-L165 HydrophobicContact CD1-CD1 3.27Å; L146-L165 HydrophobicContact CD1-CD2 3.83Å; L146-L165 HydrophobicContact CD1-CG 4.19Å
147A93.4Very high92.5Very high43 Ų4346.3 Ų46.336%0.35526%0.262SS..Hα-helixtrans-57.7-40.8179.200000111.8K143 H144 A151 I223K143-A147 PolarHBondContact O-N 3.18Å; K143-A147 VanDerWaalsContact O-N 3.08Å; H144-A147 PolarHBondContact O-N 2.98Å; A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.38Å; A147-I223 HydrophobicContact CB-CD1 4.17Å; A147-I223 HydrophobicContact CB-CG2 4.48Å
148F94.8Very high92.5Very high6 Ų645.9 Ų45.93%0.02627%0.266CS..Hα-helixtrans-65.6-46.4177.1-175.4-98.7000112.4H144 V145 L146 L150 A151 E152 V179 K182 Y183 Y187 I223H144-F148 PolarHBondContact O-N 2.94Å; H144-F148 VanDerWaalsContact O-N 3.14Å; V145-F148 PolarHBondContact O-N 3.49Å; L146-F148 VanDerWaalsContact C-N 3.26Å; L146-F148 PolarHBondContact O-N 3.29Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.49Å; F148-A151 PolarHBondContact O-N 2.81Å; F148-E152 HydrophobicContact CD1-CG 4.2Å; F148-E152 HydrophobicContact CD2-CG 4.49Å; F148-E152 HydrophobicContact CE1-CG 3.72Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 HydrophobicContact CZ-CG 3.63Å; F148-E152 PolarHBondContact O-N 3.07Å; F148-V179 HydrophobicContact CD1-CG1 3.97Å; F148-V179 HydrophobicContact CE1-CG1 3.65Å; F148-K182 HydrophobicContact CZ-CB 4.26Å; F148-Y183 HydrophobicContact CB-CD2 3.87Å; F148-Y183 HydrophobicContact CB-CE2 4.05Å; F148-Y183 AromaticContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CD2 3.44Å; F148-Y183 VanDerWaalsContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CE2 4.43Å; F148-Y183 AromaticContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD2-CD2 4.08Å; F148-Y183 AromaticContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CG 4.21Å; F148-Y183 AromaticContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CE2 4.15Å; F148-Y183 HydrophobicContact CG-CG 4.47Å; F148-Y183 HydrophobicContact CZ-CD2 4.44Å; F148-Y187 HydrophobicContact CD2-CD2 4.41Å; F148-Y187 AromaticContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CE2-CD2 4.39Å; F148-Y187 AromaticContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CZ-CE2 4.37Å; F148-I223 HydrophobicContact CB-CD1 3.81Å; F148-I223 HydrophobicContact CB-CG1 4.4Å; F148-I223 HydrophobicContact CD2-CG1 4.25Å
149L93.9Very high92.6Very high1 Ų148.7 Ų48.71%0.00528%0.28CS..Hα-helixtrans-60-42.8178.4-73.6172.4000112F131 V145 L146 L153 L165 V179 L180F131-L149 HydrophobicContact CD2-CD1 4.14Å; F131-L149 HydrophobicContact CE2-CD1 3.62Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.41Å; V145-L149 WeakPolarHBondContact O-CG 3.44Å; V145-L149 PolarHBondContact O-N 3.17Å; L146-L149 PolarHBondContact O-N 3.44Å; L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 2.89Å; L149-L165 HydrophobicContact CD1-CD2 3.71Å; L149-V179 HydrophobicContact CD2-CB 4.22Å; L149-V179 HydrophobicContact CD2-CG1 3.67Å; L149-L180 HydrophobicContact CD2-CD2 4.35Å
150L93.2Very high92.6Very high33 Ų3345.1 Ų45.117%0.17327%0.268CS..Hα-helixtrans-67.7-37.9178.6-64.4-179.3000112.1L146 F148 G154 T155 G157L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CD2 4.49Å; L146-L150 HydrophobicContact CD1-CG 4.12Å; L146-L150 HydrophobicContact CG-CD1 4.05Å; L146-L150 HydrophobicContact CG-CG 4.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.29Å; L146-L150 PolarHBondContact O-N 3.38Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.49Å; L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 3.12Å; L150-T155 WeakPolarHBondContact CB-O 3.41Å; L150-T155 WeakPolarHBondContact CD2-O 3.36Å; L150-T155 PolarHBondContact O-N 2.84Å; L150-G157 VanDerWaalsContact CD2-N 3.34Å
151A93.6Very high92.3Very high24 Ų2447.7 Ų47.720%0.19830%0.301CS..Hα-helixtrans-66.1-46.5176.900000112.1A147 F148 I223A147-A151 WeakPolarHBondContact O-CB 3.48Å; A147-A151 PolarHBondContact O-N 3.38Å; F148-A151 PolarHBondContact O-N 2.81Å; A151-I223 HydrophobicContact CB-CG2 3.92Å
152E92.8Very high92.1Very high80 Ų8049 Ų4937%0.37431%0.305SS..Hα-helixtrans-71.6-38.9-179-77.1-74.4134.600113.1F148 G154 V179 K182F148-E152 HydrophobicContact CD1-CG 4.2Å; F148-E152 HydrophobicContact CD2-CG 4.49Å; F148-E152 HydrophobicContact CE1-CG 3.72Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 HydrophobicContact CZ-CG 3.63Å; F148-E152 PolarHBondContact O-N 3.07Å; E152-G154 VanDerWaalsContact C-N 3.33Å; E152-V179 HydrophobicContact CB-CG1 3.65Å; E152-V179 HydrophobicContact CB-CG2 4.06Å; E152-V179 HydrophobicContact CG-CG1 3.91Å; E152-K182 WeakPolarHBondContact OE2-CD 3.5Å; E152-K182 IonicContact OE2-NZ 2.76Å; E152-K182 PolarHBondContact OE2-NZ 3.31Å
153L91.4Very high91.8Very high31 Ų3150.1 Ų50.116%0.16231%0.307CS..Hα-helixtrans-82.9-12.7178.9-65.2176.5000112.9L149 T155 M167 F171 H175 F176 V179L149-L153 VanDerWaalsContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 2.89Å; L153-T155 VanDerWaalsContact C-N 3.28Å; L153-T155 PolarHBondContact O-N 3.28Å; L153-M167 HydrophobicContact CD1-CE 3.3Å; L153-M167 HydrophobicContact CD1-SD 3.79Å; L153-F171 HydrophobicContact CB-CE1 4.26Å; L153-F171 HydrophobicContact CB-CZ 4.07Å; L153-F171 HydrophobicContact CD1-CE1 4.36Å; L153-F171 HydrophobicContact CD1-CZ 4.35Å; L153-F171 HydrophobicContact CD2-CD1 4.18Å; L153-F171 HydrophobicContact CD2-CE1 3.88Å; L153-F171 HydrophobicContact CD2-CZ 4.5Å; L153-F171 HydrophobicContact CG-CE1 4.41Å; L153-H175 HydrophobicContact CD2-CB 4.46Å; L153-F176 HydrophobicContact CD1-CE1 4.5Å; L153-V179 HydrophobicContact CD2-CG2 3.89Å; L153-V179 HydrophobicContact CG-CG2 4.3Å
154G89.7Confident91.7Very high37 Ų3744.5 Ų44.538%0.38128%0.284SS..THydrogen-bonded Turntrans62.734.4-177.400000113L150 E152L150-G154 WeakPolarHBondContact O-CA 3.49Å; L150-G154 PolarHBondContact O-N 3.12Å; E152-G154 VanDerWaalsContact C-N 3.33Å
155T89.1Confident91.7Very high29 Ų2943.7 Ų43.718%0.17828%0.28CS..  trans-126.5172-177.555.20000112.5L150 L153 K168 F171L150-T155 WeakPolarHBondContact CB-O 3.41Å; L150-T155 WeakPolarHBondContact CD2-O 3.36Å; L150-T155 PolarHBondContact O-N 2.84Å; L153-T155 VanDerWaalsContact C-N 3.28Å; L153-T155 PolarHBondContact O-N 3.28Å; T155-K168 WeakPolarHBondContact CB-O 3.48Å; T155-K168 VanDerWaalsContact CG2-O 3.3Å; T155-K168 WeakPolarHBondContact CG2-O 3.43Å; T155-F171 HydrophobicContact CG2-CE2 3.82Å; T155-F171 HydrophobicContact CG2-CZ 3.49Å; T155-F171 VanDerWaalsContact CG2-CZ 3.49Å
156S90.6Very high91.7Very high57 Ų5745.7 Ų45.740%0.39929%0.29SS..  trans-110144.6170490000109.9K168S156-K168 PolarHBondContact O-N 3.39Å; S156-K168 WeakPolarHBondContact OG-CD 3.2Å; S156-K168 PolarHBondContact OG-NZ 3.38Å
157G92.1Very high91.7Very high22 Ų2244.4 Ų44.423%0.22728%0.283CS..EExtended strand (participates in β ladder)trans-160.4162.9-179.400000111.1L150 I166L150-G157 VanDerWaalsContact CD2-N 3.34Å; G157-I166 CarbonylContact C-O 3.56Å; G157-I166 WeakPolarHBondContact CA-O 3.35Å
158S93Very high91.6Very high73 Ų7347.9 Ų47.951%0.5129%0.291SS..EExtended strand (participates in β ladder)trans-136.8151.1179.256.40000109.4L165 I166S158-L165 WeakPolarHBondContact O-CD1 3.43Å; S158-I166 PolarHBondContact N-O 3.14Å; S158-I166 PolarHBondContact O-N 3.33Å
159I93Very high91.4Very high63 Ų6348.7 Ų48.732%0.32330%0.301SS..EExtended strand (participates in β ladder)trans-79.6129.2171-60.1165000107F131 P142 L146F131-I159 HydrophobicContact CD1-CD1 4.5Å; F131-I159 HydrophobicContact CD1-CG1 4.4Å; F131-I159 HydrophobicContact CE1-CD1 3.83Å; F131-I159 HydrophobicContact CE1-CG1 4.07Å; P142-I159 HydrophobicContact CB-CD1 4.21Å; L146-I159 HydrophobicContact CD2-CD1 4Å; L146-I159 HydrophobicContact CD2-CG1 4.09Å
160D90.4Very high91.3Very high62 Ų6257.4 Ų57.433%0.33233%0.334SS..  trans-79.5162.7174.1-173.539.1000110.9N162 D163 Q164 I166D160-N162 PolarHBondContact O-N 3Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 PolarHBondContact OD2-ND2 3.45Å; D160-D163 PolarHBondContact O-N 2.96Å; D160-D163 VanDerWaalsContact O-N 3.12Å; D160-Q164 WeakPolarHBondContact CB-O 3.42Å; D160-Q164 PolarHBondContact N-O 3.27Å; D160-I166 HydrophobicContact CB-CD1 3.86Å; D160-I166 HydrophobicContact CB-CG1 4.25Å
161G86.8Confident91.2Very high75 Ų7557.3 Ų57.377%0.77333%0.332SS*.THydrogen-bonded Turntrans-59.3-23.2176.400000113.6D163G161-D163 PolarHBondContact O-N 3.28Å
162N87.9Confident91.1Very high119 Ų11961.5 Ų61.564%0.63635%0.347SS*.THydrogen-bonded Turntrans-84.918.9177.6-58.1-50.6000114D160 Q164D160-N162 PolarHBondContact O-N 3Å; D160-N162 VanDerWaalsContact O-N 3.12Å; D160-N162 PolarHBondContact OD2-ND2 3.45Å; N162-Q164 HydrophobicContact CB-CG 4.23Å; N162-Q164 WeakPolarHBondContact O-CG 3.44Å; N162-Q164 PolarHBondContact O-N 3.22Å; N162-Q164 VanDerWaalsContact O-N 3.08Å
163D87.4Confident91.1Very high78 Ų7862 Ų6242%0.41735%0.349SS..SBendtrans62.313.6-178.1-84-16.5000114.9A132 R136 D160 G161A132-D163 HydrophobicContact CB-CB 3.63Å; R136-D163 IonicContact NH2-OD2 3.03Å; R136-D163 PolarHBondContact NH2-OD2 3.39Å; D160-D163 PolarHBondContact O-N 2.96Å; D160-D163 VanDerWaalsContact O-N 3.12Å; G161-D163 PolarHBondContact O-N 3.28Å
164Q91.8Very high91.2Very high56 Ų5668 Ų6826%0.26237%0.374SS..PPolyproline II helixtrans-94.8140.4177.1-51.1-17210.900110.7F128 D160 N162F128-Q164 WeakPolarHBondContact O-CA 3.4Å; D160-Q164 WeakPolarHBondContact CB-O 3.42Å; D160-Q164 PolarHBondContact N-O 3.27Å; N162-Q164 HydrophobicContact CB-CG 4.23Å; N162-Q164 WeakPolarHBondContact O-CG 3.44Å; N162-Q164 PolarHBondContact O-N 3.22Å; N162-Q164 VanDerWaalsContact O-N 3.08Å
165L93.9Very high91.3Very high0 Ų070.3 Ų70.30%038%0.375CS..EExtended strand (participates in β ladder)trans-90.2116.3176.3168.757.9000110.5A127 F128 F131 L146 L149 S158 M167A127-L165 CarbonylContact C-O 3.58Å; A127-L165 WeakPolarHBondContact CA-O 3.27Å; F128-L165 HydrophobicContact CB-CB 4.19Å; F128-L165 HydrophobicContact CD1-CD2 4.47Å; F128-L165 PolarHBondContact N-O 3.15Å; F128-L165 PolarHBondContact O-N 2.91Å; F131-L165 HydrophobicContact CB-CB 3.97Å; F131-L165 HydrophobicContact CD1-CB 4.12Å; F131-L165 HydrophobicContact CD2-CB 4.23Å; F131-L165 HydrophobicContact CD2-CD2 4.03Å; F131-L165 HydrophobicContact CE2-CD2 4.08Å; F131-L165 HydrophobicContact CG-CB 3.83Å; F131-L165 HydrophobicContact CG-CD2 4.45Å; L146-L165 HydrophobicContact CD1-CD1 3.27Å; L146-L165 HydrophobicContact CD1-CD2 3.83Å; L146-L165 HydrophobicContact CD1-CG 4.19Å; L149-L165 HydrophobicContact CD1-CD2 3.71Å; S158-L165 WeakPolarHBondContact O-CD1 3.43Å; L165-M167 HydrophobicContact CD1-CG 4.1Å; L165-M167 HydrophobicContact CD2-CG 4.13Å; L165-M167 HydrophobicContact CD2-SD 3.97Å; L165-M167 HydrophobicContact CG-CG 3.8Å; L165-M167 HydrophobicContact CG-SD 4.3Å
166I93.9Very high91.5Very high42 Ų4268.9 Ų68.922%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-95.9120.6174.3-57.1174.4000109.2K125 G157 S158 D160K125-I166 HydrophobicContact CB-CG2 4.23Å; K125-I166 HydrophobicContact CD-CG2 4.25Å; G157-I166 CarbonylContact C-O 3.56Å; G157-I166 WeakPolarHBondContact CA-O 3.35Å; S158-I166 PolarHBondContact N-O 3.14Å; S158-I166 PolarHBondContact O-N 3.33Å; D160-I166 HydrophobicContact CB-CD1 3.86Å; D160-I166 HydrophobicContact CB-CG1 4.25Å
167M93.5Very high91.6Very high1 Ų169.7 Ų69.71%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-114.9144.5177-53.3-168.1-40.200111.4K125 T126 L153 L165 G169 F171 F176K125-M167 WeakPolarHBondContact CA-O 3.4Å; T126-M167 PolarHBondContact N-O 3.01Å; T126-M167 PolarHBondContact O-N 3.3Å; L153-M167 HydrophobicContact CD1-CE 3.3Å; L153-M167 HydrophobicContact CD1-SD 3.79Å; L165-M167 HydrophobicContact CD1-CG 4.1Å; L165-M167 HydrophobicContact CD2-CG 4.13Å; L165-M167 HydrophobicContact CD2-SD 3.97Å; L165-M167 HydrophobicContact CG-CG 3.8Å; L165-M167 HydrophobicContact CG-SD 4.3Å; M167-G169 PolarHBondContact O-N 3.17Å; M167-F171 HydrophobicContact CE-CB 4.49Å; M167-F171 HydrophobicContact CE-CD2 3.42Å; M167-F171 VanDerWaalsContact CE-CD2 3.42Å; M167-F171 HydrophobicContact CE-CE2 3.77Å; M167-F171 HydrophobicContact CE-CG 4.02Å; M167-F176 HydrophobicContact CE-CD1 4.24Å; M167-F176 HydrophobicContact CE-CE1 3.15Å; M167-F176 HydrophobicContact CE-CE2 4.08Å; M167-F176 HydrophobicContact CE-CZ 3.08Å; M167-F176 HydrophobicContact SD-CE1 3.72Å; M167-F176 HydrophobicContact SD-CZ 4.14Å
168K91.5Very high91.6Very high117 Ų11771.6 Ų71.651%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-77.3121.8170.8-62-176.9-165.2157.20108.9T155 S156T155-K168 WeakPolarHBondContact CB-O 3.48Å; T155-K168 VanDerWaalsContact CG2-O 3.3Å; T155-K168 WeakPolarHBondContact CG2-O 3.43Å; S156-K168 PolarHBondContact O-N 3.39Å; S156-K168 WeakPolarHBondContact OG-CD 3.2Å; S156-K168 PolarHBondContact OG-NZ 3.38Å
169G90.3Very high91.7Very high23 Ų2368.5 Ų68.524%0.23735%0.352CS..SBendtrans132.1169.5-179.200000112.3K124 K125 T126 M167K124-G169 PolarHBondContact O-N 2.93Å; K125-G169 CarbonylContact C-O 3.59Å; T126-G169 PolarHBondContact N-O 3.05Å; T126-G169 PolarHBondContact OG1-O 3.28Å; M167-G169 PolarHBondContact O-N 3.17Å
170R91Very high91.7Very high184 Ų18465.6 Ų65.669%0.69434%0.337SS*.  trans-101.9107.4171.7-68.2-178.5175.4-158.7-2.3107.8S123S123-R170 WeakPolarHBondContact O-CG 3.44Å; S123-R170 PolarHBondContact O-NE 3.05Å; S123-R170 PolarHBondContact O-NH2 2.61Å; S123-R170 PolarHBondContact OG-NH2 3.19Å
171F92.3Very high91.8Very high31 Ų3170.3 Ų70.314%0.13635%0.35CS..  trans-116.7134.9178.3-67-71.4000110.6T126 L153 T155 M167 H175 F176T126-F171 HydrophobicContact CG2-CB 4.32Å; T126-F171 PolarHBondContact OG1-N 3.45Å; T126-F171 VanDerWaalsContact OG1-N 3.15Å; L153-F171 HydrophobicContact CB-CE1 4.26Å; L153-F171 HydrophobicContact CB-CZ 4.07Å; L153-F171 HydrophobicContact CD1-CE1 4.36Å; L153-F171 HydrophobicContact CD1-CZ 4.35Å; L153-F171 HydrophobicContact CD2-CD1 4.18Å; L153-F171 HydrophobicContact CD2-CE1 3.88Å; L153-F171 HydrophobicContact CD2-CZ 4.5Å; L153-F171 HydrophobicContact CG-CE1 4.41Å; T155-F171 HydrophobicContact CG2-CE2 3.82Å; T155-F171 HydrophobicContact CG2-CZ 3.49Å; T155-F171 VanDerWaalsContact CG2-CZ 3.49Å; M167-F171 HydrophobicContact CE-CB 4.49Å; M167-F171 HydrophobicContact CE-CD2 3.42Å; M167-F171 VanDerWaalsContact CE-CD2 3.42Å; M167-F171 HydrophobicContact CE-CE2 3.77Å; M167-F171 HydrophobicContact CE-CG 4.02Å; F171-H175 HydrophobicContact CD1-CB 4.36Å; F171-F176 HydrophobicContact CB-CD2 4.28Å; F171-F176 HydrophobicContact CB-CE2 3.6Å; F171-F176 HydrophobicContact CB-CZ 4.22Å
172Q91.9Very high92.1Very high111 Ų11171 Ų7152%0.51933%0.332SS..  trans-87.7155168.4-56.6-179.6-2.400109.5K174 H175Q172-K174 PolarHBondContact O-N 3.27Å; Q172-K174 VanDerWaalsContact O-N 3.09Å; Q172-H175 PolarHBondContact N-ND1 3.05Å; Q172-H175 WeakPolarHBondContact O-CB 3.5Å; Q172-H175 PolarHBondContact O-N 3.31Å; Q172-H175 PolarHBondContact O-ND1 2.72Å
173Q92.2Very high92.4Very high90 Ų9065.4 Ų65.442%0.42130%0.302SS..Hα-helixtrans-48.2-39.5177.2-169.2176.127.800113.9P116 V118 H175 F176 E177P116-Q173 HydrophobicContact CG-CG 3.98Å; P116-Q173 VanDerWaalsContact O-CG 3.26Å; P116-Q173 WeakPolarHBondContact O-CG 3.48Å; P116-Q173 PolarHBondContact O-NE2 3.16Å; V118-Q173 HydrophobicContact CG2-CB 4.26Å; V118-Q173 HydrophobicContact CG2-CG 4.37Å; Q173-H175 PolarHBondContact O-N 3.12Å; Q173-F176 PolarHBondContact O-N 3.12Å; Q173-E177 PolarHBondContact O-N 3.08Å
174K92.2Very high92.7Very high157 Ų15762.7 Ų62.768%0.68329%0.287SS*.Hα-helixtrans-56-33.1178.4-64-176.2178.5-179.50113.9Q172 S178Q172-K174 PolarHBondContact O-N 3.27Å; Q172-K174 VanDerWaalsContact O-N 3.09Å; K174-S178 WeakPolarHBondContact O-CB 3.44Å; K174-S178 PolarHBondContact O-N 2.93Å; K174-S178 VanDerWaalsContact O-N 3.08Å
175H92.2Very high92.6Very high86 Ų8667.4 Ų67.440%0.39831%0.307SS..Hα-helixtrans-70.5-46.3-178.9-60.575.4000110.2L153 F171 Q172 Q173 E177 S178 V179L153-H175 HydrophobicContact CD2-CB 4.46Å; F171-H175 HydrophobicContact CD1-CB 4.36Å; Q172-H175 PolarHBondContact N-ND1 3.05Å; Q172-H175 WeakPolarHBondContact O-CB 3.5Å; Q172-H175 PolarHBondContact O-N 3.31Å; Q172-H175 PolarHBondContact O-ND1 2.72Å; Q173-H175 PolarHBondContact O-N 3.12Å; H175-E177 VanDerWaalsContact C-N 3.34Å; H175-E177 PolarHBondContact O-N 2.83Å; H175-S178 PolarHBondContact O-N 2.92Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.41Å; H175-V179 VanDerWaalsContact O-N 3.1Å
176F93.3Very high92.5Very high0 Ų071.3 Ų71.30%033%0.325CS..Hα-helixtrans-61.7-43.3175.7-70.6-84.7000112P116 V118 T126 F128 L153 M167 F171 Q173 S178 V179 L180P116-F176 HydrophobicContact CB-CB 4.3Å; P116-F176 HydrophobicContact CG-CB 4.2Å; V118-F176 HydrophobicContact CB-CE2 4.41Å; V118-F176 HydrophobicContact CG1-CD2 4.43Å; V118-F176 HydrophobicContact CG1-CE2 3.81Å; V118-F176 HydrophobicContact CG2-CD2 3.51Å; V118-F176 HydrophobicContact CG2-CE2 3.61Å; V118-F176 HydrophobicContact CG2-CG 4.31Å; V118-F176 HydrophobicContact CG2-CZ 4.46Å; T126-F176 HydrophobicContact CG2-CE2 4.15Å; T126-F176 HydrophobicContact CG2-CZ 4.35Å; F128-F176 HydrophobicContact CB-CE1 4.1Å; F128-F176 HydrophobicContact CB-CZ 4.2Å; F128-F176 HydrophobicContact CD1-CD1 4Å; F128-F176 AromaticContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CD1-CE1 3.93Å; F128-F176 HydrophobicContact CE1-CD1 4.31Å; F128-F176 HydrophobicContact CG-CD1 4.5Å; F128-F176 HydrophobicContact CG-CE1 4.23Å; L153-F176 HydrophobicContact CD1-CE1 4.5Å; M167-F176 HydrophobicContact CE-CD1 4.24Å; M167-F176 HydrophobicContact CE-CE1 3.15Å; M167-F176 HydrophobicContact CE-CE2 4.08Å; M167-F176 HydrophobicContact CE-CZ 3.08Å; M167-F176 HydrophobicContact SD-CE1 3.72Å; M167-F176 HydrophobicContact SD-CZ 4.14Å; F171-F176 HydrophobicContact CB-CD2 4.28Å; F171-F176 HydrophobicContact CB-CE2 3.6Å; F171-F176 HydrophobicContact CB-CZ 4.22Å; Q173-F176 PolarHBondContact O-N 3.12Å; F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 2.98Å; F176-V179 PolarHBondContact O-N 3.47Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.23Å; F176-L180 WeakPolarHBondContact O-CD1 3.43Å; F176-L180 WeakPolarHBondContact O-CG 3.44Å; F176-L180 PolarHBondContact O-N 3.4Å
177E92.6Very high92.5Very high73 Ų7369.5 Ų69.534%0.34132%0.315SS..Hα-helixtrans-60.3-45.1178.3-167.3-166.6151.100111.7P116 Q173 H175 V179 L180 R181P116-E177 HydrophobicContact CG-CB 4.45Å; Q173-E177 PolarHBondContact O-N 3.08Å; H175-E177 VanDerWaalsContact C-N 3.34Å; H175-E177 PolarHBondContact O-N 2.83Å; E177-V179 PolarHBondContact O-N 2.85Å; E177-L180 PolarHBondContact O-N 3.18Å; E177-R181 WeakPolarHBondContact O-CB 3.3Å; E177-R181 VanDerWaalsContact O-CG 3.23Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 3.39Å; E177-R181 IonicContact OE1-CZ 3.19Å; E177-R181 IonicContact OE1-NE 2.89Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.66Å; E177-R181 PolarHBondContact OE1-NH2 3.24Å
178S93.7Very high92.4Very high63 Ų6369.5 Ų69.544%0.44132%0.316SS..Hα-helixtrans-58.7-47.2176.7-176.80000111.8K174 H175 F176 R181 K182K174-S178 WeakPolarHBondContact O-CB 3.44Å; K174-S178 PolarHBondContact O-N 2.93Å; K174-S178 VanDerWaalsContact O-N 3.08Å; H175-S178 PolarHBondContact O-N 2.92Å; F176-S178 VanDerWaalsContact C-N 3.35Å; F176-S178 PolarHBondContact O-N 2.98Å; S178-R181 PolarHBondContact O-N 3.26Å; S178-K182 WeakPolarHBondContact O-CG 3.46Å; S178-K182 PolarHBondContact O-N 3.25Å
179V93.9Very high92.4Very high8 Ų865.5 Ų65.55%0.04830%0.301CS..Hα-helixtrans-67.3-42.4-1801800000111.5F148 L149 E152 L153 H175 F176 E177 R181 K182 Y183F148-V179 HydrophobicContact CD1-CG1 3.97Å; F148-V179 HydrophobicContact CE1-CG1 3.65Å; L149-V179 HydrophobicContact CD2-CB 4.22Å; L149-V179 HydrophobicContact CD2-CG1 3.67Å; E152-V179 HydrophobicContact CB-CG1 3.65Å; E152-V179 HydrophobicContact CB-CG2 4.06Å; E152-V179 HydrophobicContact CG-CG1 3.91Å; L153-V179 HydrophobicContact CD2-CG2 3.89Å; L153-V179 HydrophobicContact CG-CG2 4.3Å; H175-V179 WeakPolarHBondContact O-CG2 3.35Å; H175-V179 PolarHBondContact O-N 3.41Å; H175-V179 VanDerWaalsContact O-N 3.1Å; F176-V179 PolarHBondContact O-N 3.47Å; E177-V179 PolarHBondContact O-N 2.85Å; V179-R181 VanDerWaalsContact C-N 3.31Å; V179-R181 PolarHBondContact O-N 3.4Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 3.13Å; V179-K182 VanDerWaalsContact O-N 3.13Å; V179-Y183 PolarHBondContact O-N 3Å
180L93.4Very high92.5Very high2 Ų264.4 Ų64.41%0.0129%0.289CS..Hα-helixtrans-64-36.7177.8-70.1163.5000111.6M113 P116 F128 L149 F176 E177 K182 Y183 I184M113-L180 HydrophobicContact CE-CB 4.05Å; M113-L180 HydrophobicContact CE-CD1 3.47Å; M113-L180 VanDerWaalsContact CE-CD1 3.47Å; M113-L180 HydrophobicContact CE-CD2 4.41Å; M113-L180 HydrophobicContact CE-CG 4.15Å; M113-L180 HydrophobicContact SD-CB 4.44Å; P116-L180 HydrophobicContact CB-CD1 4.24Å; P116-L180 HydrophobicContact CG-CD1 4.44Å; F128-L180 HydrophobicContact CE1-CD1 4.21Å; F128-L180 HydrophobicContact CZ-CD1 4.05Å; L149-L180 HydrophobicContact CD2-CD2 4.35Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.23Å; F176-L180 WeakPolarHBondContact O-CD1 3.43Å; F176-L180 WeakPolarHBondContact O-CG 3.44Å; F176-L180 PolarHBondContact O-N 3.4Å; E177-L180 PolarHBondContact O-N 3.18Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.94Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.41Å; L180-I184 PolarHBondContact O-N 3.22Å
181R91.8Very high92.4Very high161 Ų16160.5 Ų60.561%0.60828%0.279SS*.Hα-helixtrans-61.7-40.4172.7-74.1172.9-178.2-70.40.5112.2E177 S178 V179 K185E177-R181 WeakPolarHBondContact O-CB 3.3Å; E177-R181 VanDerWaalsContact O-CG 3.23Å; E177-R181 WeakPolarHBondContact O-CG 3.37Å; E177-R181 PolarHBondContact O-N 3.39Å; E177-R181 IonicContact OE1-CZ 3.19Å; E177-R181 IonicContact OE1-NE 2.89Å; E177-R181 PolarHBondContact OE1-NE 2.95Å; E177-R181 IonicContact OE1-NH2 2.66Å; E177-R181 PolarHBondContact OE1-NH2 3.24Å; S178-R181 PolarHBondContact O-N 3.26Å; V179-R181 VanDerWaalsContact C-N 3.31Å; V179-R181 PolarHBondContact O-N 3.4Å; R181-K185 PolarHBondContact O-N 3.17Å
182K93.2Very high92.2Very high90 Ų9063.8 Ų63.839%0.39130%0.301SS..Hα-helixtrans-64.4-46.4173.3-64-178.9-169.6179.50111.2F148 E152 S178 V179 L180 I184 K185 E186F148-K182 HydrophobicContact CZ-CB 4.26Å; E152-K182 WeakPolarHBondContact OE2-CD 3.5Å; E152-K182 IonicContact OE2-NZ 2.76Å; E152-K182 PolarHBondContact OE2-NZ 3.31Å; S178-K182 WeakPolarHBondContact O-CG 3.46Å; S178-K182 PolarHBondContact O-N 3.25Å; V179-K182 WeakPolarHBondContact O-CB 3.43Å; V179-K182 PolarHBondContact O-N 3.13Å; V179-K182 VanDerWaalsContact O-N 3.13Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 2.94Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-I184 PolarHBondContact O-N 3.15Å; K182-K185 WeakPolarHBondContact O-CB 3.35Å; K182-K185 PolarHBondContact O-N 3.3Å; K182-K185 VanDerWaalsContact O-N 3.17Å; K182-E186 PolarHBondContact O-N 2.97Å
183Y94.4Very high91.9Very high0 Ų059.3 Ų59.30%028%0.282CS..Hα-helixtrans-57.1-46.8179.2-175.8-103.7000112.3L138 R140 H144 V145 F148 V179 L180 K185 E186 Y187 V188L138-Y183 HydrophobicContact CD1-CD1 4.4Å; L138-Y183 HydrophobicContact CD1-CE1 4.37Å; R140-Y183 HydrophobicContact CG-CE1 4.46Å; H144-Y183 AromaticContact CE1-CE2 3.87Å; H144-Y183 AromaticContact ND1-CE2 3.65Å; H144-Y183 AromaticContact ND1-CZ 3.7Å; H144-Y183 PolarHBondContact ND1-OH 3.49Å; V145-Y183 HydrophobicContact CG2-CE1 3.88Å; V145-Y183 WeakPolarHBondContact CG2-OH 3.16Å; F148-Y183 HydrophobicContact CB-CD2 3.87Å; F148-Y183 HydrophobicContact CB-CE2 4.05Å; F148-Y183 AromaticContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CD2 3.44Å; F148-Y183 VanDerWaalsContact CD1-CD2 3.44Å; F148-Y183 HydrophobicContact CD1-CE2 4.43Å; F148-Y183 AromaticContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD1-CG 3.98Å; F148-Y183 HydrophobicContact CD2-CD2 4.08Å; F148-Y183 AromaticContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CD2 3.94Å; F148-Y183 HydrophobicContact CE1-CG 4.21Å; F148-Y183 AromaticContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CD2 3.51Å; F148-Y183 HydrophobicContact CG-CE2 4.15Å; F148-Y183 HydrophobicContact CG-CG 4.47Å; F148-Y183 HydrophobicContact CZ-CD2 4.44Å; V179-Y183 PolarHBondContact O-N 3Å; L180-Y183 WeakPolarHBondContact O-CB 3.39Å; L180-Y183 PolarHBondContact O-N 3Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 2.97Å; Y183-E186 PolarHBondContact O-N 2.76Å; Y183-Y187 AromaticContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CD2 3.45Å; Y183-Y187 VanDerWaalsContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CE2 4.12Å; Y183-Y187 HydrophobicContact CD2-CG 4.09Å; Y183-Y187 AromaticContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CE2 4.35Å; Y183-Y187 AromaticContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CG-CD2 4.28Å; Y183-Y187 PolarHBondContact O-N 3.09Å; Y183-V188 HydrophobicContact CD1-CG2 4.1Å; Y183-V188 HydrophobicContact CE1-CG2 3.82Å
184I93Very high91.6Very high22 Ų2261.8 Ų61.811%0.11329%0.292CS..Hα-helixtrans-60.8-42.4-180-70.7166.5000110.6F111 M113 L138 L180 K182 E186 V188 T189F111-I184 HydrophobicContact CD1-CD1 4.26Å; F111-I184 HydrophobicContact CE1-CD1 4.19Å; M113-I184 HydrophobicContact SD-CD1 3.76Å; L138-I184 HydrophobicContact CD2-CD1 4.2Å; L138-I184 HydrophobicContact CD2-CG1 3.9Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.41Å; L180-I184 PolarHBondContact O-N 3.22Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-I184 PolarHBondContact O-N 3.15Å; I184-E186 VanDerWaalsContact C-N 3.3Å; I184-E186 PolarHBondContact O-N 2.91Å; I184-V188 HydrophobicContact CG2-CB 4.38Å; I184-V188 PolarHBondContact O-N 2.89Å; I184-T189 HydrophobicContact CG2-CG2 3.73Å; I184-T189 PolarHBondContact O-N 3.36Å; I184-T189 PolarHBondContact O-OG1 2.78Å; I184-T189 VanDerWaalsContact O-OG1 3.13Å
185K90.9Very high91.3Very high155 Ų15555.3 Ų55.367%0.67427%0.266SS*.Hα-helixtrans-63.5-34.6-179.3-170.4-179.4177.7-172.30113.1R181 K182 Y183 T189R181-K185 PolarHBondContact O-N 3.17Å; K182-K185 WeakPolarHBondContact O-CB 3.35Å; K182-K185 PolarHBondContact O-N 3.3Å; K182-K185 VanDerWaalsContact O-N 3.17Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 2.97Å; K185-T189 WeakPolarHBondContact CA-OG1 3.21Å; K185-T189 PolarHBondContact O-OG1 3Å; K185-T189 VanDerWaalsContact O-OG1 3.11Å
186E91.9Very high91.1Very high81 Ų8152.8 Ų52.838%0.37926%0.26SS..Hα-helixtrans-93.7-43.5-174.7-69.6178.8-176.900113.4K182 Y183 I184K182-E186 PolarHBondContact O-N 2.97Å; Y183-E186 PolarHBondContact O-N 2.76Å; I184-E186 VanDerWaalsContact C-N 3.3Å; I184-E186 PolarHBondContact O-N 2.91Å
187Y93.5Very high90.9Very high5 Ų556.3 Ų56.32%0.0228%0.279CS..Hα-helixtrans-112.6-6.1-167.6-60.4-85.7000114.9R140 H144 F148 Y183 L209 V220 A221 I223R140-Y187 PolarHBondContact NE-O 2.88Å; R140-Y187 PolarHBondContact NH2-O 3.01Å; H144-Y187 AromaticContact CE1-CD1 3.45Å; H144-Y187 VanDerWaalsContact CE1-CD1 3.45Å; H144-Y187 WeakPolarHBondContact CE1-CD1 3.43Å; H144-Y187 AromaticContact CE1-CE1 3.75Å; H144-Y187 AromaticContact CE1-CG 3.92Å; F148-Y187 HydrophobicContact CD2-CD2 4.41Å; F148-Y187 AromaticContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CD2-CE2 3.63Å; F148-Y187 HydrophobicContact CE2-CD2 4.39Å; F148-Y187 AromaticContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CE2-CE2 3.55Å; F148-Y187 HydrophobicContact CZ-CE2 4.37Å; Y183-Y187 AromaticContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CD2 3.45Å; Y183-Y187 VanDerWaalsContact CD2-CD2 3.45Å; Y183-Y187 HydrophobicContact CD2-CE2 4.12Å; Y183-Y187 HydrophobicContact CD2-CG 4.09Å; Y183-Y187 AromaticContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CD2 3.59Å; Y183-Y187 HydrophobicContact CE2-CE2 4.35Å; Y183-Y187 AromaticContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CE2-CG 3.78Å; Y183-Y187 HydrophobicContact CG-CD2 4.28Å; Y183-Y187 PolarHBondContact O-N 3.09Å; Y187-L209 WeakPolarHBondContact O-CD1 3.38Å; Y187-V220 HydrophobicContact CD1-CB 4.35Å; Y187-V220 HydrophobicContact CD1-CG1 3.43Å; Y187-V220 VanDerWaalsContact CD1-CG1 3.43Å; Y187-V220 HydrophobicContact CE1-CB 4.39Å; Y187-V220 HydrophobicContact CE1-CG1 3.37Å; Y187-V220 HydrophobicContact CG-CG1 4.2Å; Y187-A221 WeakPolarHBondContact CE1-O 3.24Å; Y187-A221 PolarHBondContact OH-O 3.15Å; Y187-A221 VanDerWaalsContact OH-O 3.09Å; Y187-I223 HydrophobicContact CE1-CG1 4.31Å
188V92.1Very high90.9Very high1 Ų153 Ų531%0.00626%0.264CS..THydrogen-bonded Turntrans-123.8-49.1-174.4-175.50000111.6L138 R140 Y183 I184 C190 A196 T198L138-V188 HydrophobicContact CD2-CG1 4.06Å; L138-V188 HydrophobicContact CD2-CG2 4.17Å; R140-V188 HydrophobicContact CG-CG2 4.47Å; Y183-V188 HydrophobicContact CD1-CG2 4.1Å; Y183-V188 HydrophobicContact CE1-CG2 3.82Å; I184-V188 HydrophobicContact CG2-CB 4.38Å; I184-V188 PolarHBondContact O-N 2.89Å; V188-C190 PolarHBondContact O-N 2.79Å; V188-A196 HydrophobicContact CG1-CB 4.5Å; V188-T198 VanDerWaalsContact O-CG2 3.27Å; V188-T198 WeakPolarHBondContact O-CG2 3.26Å; V188-T198 PolarHBondContact O-OG1 3.5Å
189T91.2Very high90.9Very high32 Ų3252.7 Ų52.720%0.19626%0.259CS..SBendtrans-77.2128.5178.857.40000110.7I184 K185 S195I184-T189 HydrophobicContact CG2-CG2 3.73Å; I184-T189 PolarHBondContact O-N 3.36Å; I184-T189 PolarHBondContact O-OG1 2.78Å; I184-T189 VanDerWaalsContact O-OG1 3.13Å; K185-T189 WeakPolarHBondContact CA-OG1 3.21Å; K185-T189 PolarHBondContact O-OG1 3Å; K185-T189 VanDerWaalsContact O-OG1 3.11Å; T189-S195 WeakPolarHBondContact CA-O 3.4Å
190C91.4Very high90.9Very high0 Ų053.9 Ų53.90%027%0.265CS..  trans-62.8137.9170.8-177.70000110.9V188 T192 K194 S195 T198 C211 C214 S216V188-C190 PolarHBondContact O-N 2.79Å; C190-T192 VanDerWaalsContact C-N 3.27Å; C190-T192 PolarHBondContact O-N 3.28Å; C190-T192 PolarHBondContact SG-OG1 2.86Å; C190-K194 WeakPolarHBondContact O-CA 3.36Å; C190-K194 PolarHBondContact O-N 2.73Å; C190-S195 PolarHBondContact N-O 2.66Å; C190-S195 VanDerWaalsContact N-O 3.1Å; C190-T198 HydrophobicContact CB-CG2 3.82Å; C190-C211 HydrophobicContact CB-CB 4.04Å; C190-C214 VanDerWaalsContact SG-SG 3.67Å; C190-S216 PolarHBondContact SG-OG 3.14Å; C190-S216 VanDerWaalsContact SG-OG 3.34Å
191H88.5Confident90.9Very high103 Ų10357.2 Ų57.248%0.47728%0.283SS..THydrogen-bonded Turntrans-68.4-26.7178.8-60.3-43000113.3
192T88.8Confident90.8Very high99 Ų9956.7 Ų56.761%0.60729%0.285SS*.THydrogen-bonded Turntrans-85.3-57.4-174.8-19.40000111.9C190 S216C190-T192 VanDerWaalsContact C-N 3.27Å; C190-T192 PolarHBondContact O-N 3.28Å; C190-T192 PolarHBondContact SG-OG1 2.86Å; T192-S216 PolarHBondContact OG1-OG 2.99Å
193C85.4Confident90.7Very high17 Ų1756.8 Ų56.812%0.11529%0.29CS..THydrogen-bonded Turntrans-105.8-9-173.961.50000114.2L103 S195 C211 C214L103-C193 HydrophobicContact CD1-CB 4.16Å; C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 PolarHBondContact SG-OG 3.3Å; C193-C211 VanDerWaalsContact SG-SG 3.62Å; C193-C214 HydrophobicContact CB-CB 4.39Å
194K86.3Confident90.5Very high142 Ų14262.4 Ų62.462%0.61732%0.324SS*.  trans59.517.5-177.2-56.7175.9-179.4173.80115.1C190C190-K194 WeakPolarHBondContact O-CA 3.36Å; C190-K194 PolarHBondContact O-N 2.73Å
195S85.5Confident90.4Very high22 Ų2271.9 Ų71.915%0.15436%0.359CS..  trans-70.6152.5170.7680000110.9T189 C190 C193 C211 T213T189-S195 WeakPolarHBondContact CA-O 3.4Å; C190-S195 PolarHBondContact N-O 2.66Å; C190-S195 VanDerWaalsContact N-O 3.1Å; C193-S195 PolarHBondContact O-N 2.89Å; C193-S195 PolarHBondContact SG-OG 3.3Å; S195-C211 PolarHBondContact OG-SG 3.49Å; S195-T213 PolarHBondContact OG-OG1 2.89Å; S195-T213 VanDerWaalsContact OG-OG1 3.05Å
196A87.4Confident90.4Very high32 Ų3268.5 Ų68.526%0.26435%0.348SS..SBendtrans-86.8-8.7175.500000112.7F111 V188 T198F111-A196 HydrophobicContact CD2-CB 3.94Å; F111-A196 HydrophobicContact CE2-CB 4.18Å; V188-A196 HydrophobicContact CG1-CB 4.5Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.95Å
197D89.6Confident90.5Very high75 Ų7566.6 Ų66.640%0.40134%0.338SS..  trans-83.877.7-179.7-66-52.2000111.1K139 Q212K139-D197 IonicContact NZ-OD1 2.81Å; K139-D197 PolarHBondContact NZ-OD1 2.82Å; D197-Q212 PolarHBondContact O-N 2.97Å
198T93.1Very high90.5Very high3 Ų369.4 Ų69.42%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-129.6150.8178.463.40000109.7R140 V188 C190 A196 L209 Q210 C211R140-T198 PolarHBondContact NH1-O 3.39Å; R140-T198 PolarHBondContact NH2-O 3.13Å; R140-T198 VanDerWaalsContact NH2-O 3.09Å; R140-T198 PolarHBondContact NH2-OG1 3.11Å; V188-T198 VanDerWaalsContact O-CG2 3.27Å; V188-T198 WeakPolarHBondContact O-CG2 3.26Å; V188-T198 PolarHBondContact O-OG1 3.5Å; C190-T198 HydrophobicContact CB-CG2 3.82Å; A196-T198 VanDerWaalsContact C-N 3.32Å; A196-T198 PolarHBondContact O-N 2.95Å; T198-L209 HydrophobicContact CG2-CD2 3.65Å; T198-L209 HydrophobicContact CG2-CG 4.31Å; T198-Q210 CarbonylContact C-O 3.53Å; T198-Q210 VanDerWaalsContact CA-O 3.31Å; T198-Q210 WeakPolarHBondContact CA-O 3.35Å; T198-C211 HydrophobicContact CG2-CB 4.06Å
199V93.9Very high90.6Very high57 Ų5769.4 Ų69.435%0.34535%0.35SS..EExtended strand (participates in β ladder)trans-114.6141.2174.5-1800000108L209 Q210 Q212V199-L209 WeakPolarHBondContact O-CA 3.03Å; V199-Q210 PolarHBondContact N-O 3.34Å; V199-Q210 PolarHBondContact O-N 3.4Å; V199-Q212 HydrophobicContact CG2-CG 4.33Å
200L93.4Very high90.8Very high33 Ų3369.9 Ų69.917%0.17335%0.351CS..EExtended strand (participates in β ladder)trans-104.9107.6177.9-168.676000108.9F207 L209L200-F207 HydrophobicContact CD1-CB 4.07Å; L200-F207 HydrophobicContact CD2-CD1 4.14Å; L200-F207 HydrophobicContact CG-CB 4.43Å; L200-F207 HydrophobicContact CG-CD1 4.26Å; L200-L209 HydrophobicContact CD1-CB 4.36Å
201D93.2Very high90.9Very high72 Ų7270 Ų7039%0.38535%0.351SS..EExtended strand (participates in β ladder)trans-99.8142.2176.9-63.7-40.4000109.6F207 F208D201-F207 WeakPolarHBondContact O-CA 3.39Å; D201-F208 PolarHBondContact N-O 3.35Å; D201-F208 PolarHBondContact O-N 3.3Å
202K91Very high91Very high149 Ų14970.8 Ų70.865%0.64836%0.355SS*.EExtended strand (participates in β ladder)trans-105116175.7-170.7-175.5179.4-161.80108.1F207K202-F207 HydrophobicContact CB-CD1 3.91Å; K202-F207 HydrophobicContact CB-CE1 3.82Å; K202-F207 HydrophobicContact CD-CE1 3.79Å; K202-F207 HydrophobicContact CD-CZ 4.06Å; K202-F207 HydrophobicContact CG-CD1 3.95Å; K202-F207 HydrophobicContact CG-CE1 3.65Å; K202-F207 HydrophobicContact CG-CZ 4.2Å
203D91.1Very high90.9Very high92 Ų9268.1 Ų68.149%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-121.3118.9176.5-1725.8000108.8R205 L206 F208D203-R205 PolarHBondContact O-N 3.1Å; D203-L206 PolarHBondContact N-O 3.45Å; D203-L206 VanDerWaalsContact N-O 3.08Å; D203-L206 PolarHBondContact O-N 3.47Å; D203-F208 HydrophobicContact CB-CD2 3.58Å; D203-F208 HydrophobicContact CB-CE2 3.65Å
204T89.7Confident91Very high118 Ų11869.7 Ų69.772%0.72435%0.349SS*.THydrogen-bonded Turntrans49-103.5-171.3650000113.7
205R89.8Confident91Very high221 Ų22165.3 Ų65.383%0.83435%0.345SS*.THydrogen-bonded Turntrans-103.6-17.1-176.2-62.1-179.1-178.5-176.40.7112.9D203 T222D203-R205 PolarHBondContact O-N 3.1Å; R205-T222 VanDerWaalsContact O-CG2 3.32Å; R205-T222 WeakPolarHBondContact O-CG2 3.47Å
206L92.3Very high91.3Very high85 Ų8565.6 Ų65.645%0.44535%0.347SS..EExtended strand (participates in β ladder)trans-107.5155.3-173.5-61.6175.5000110.6D203 T222D203-L206 PolarHBondContact N-O 3.45Å; D203-L206 VanDerWaalsContact N-O 3.08Å; D203-L206 PolarHBondContact O-N 3.47Å; L206-T222 HydrophobicContact CD2-CG2 4.26Å
207F93.4Very high91.6Very high40 Ų4072.9 Ų72.918%0.17537%0.367CS..EExtended strand (participates in β ladder)trans-100.3133.1170.4-67.9-82.3000108.9L200 D201 K202 V220 T222L200-F207 HydrophobicContact CD1-CB 4.07Å; L200-F207 HydrophobicContact CD2-CD1 4.14Å; L200-F207 HydrophobicContact CG-CB 4.43Å; L200-F207 HydrophobicContact CG-CD1 4.26Å; D201-F207 WeakPolarHBondContact O-CA 3.39Å; K202-F207 HydrophobicContact CB-CD1 3.91Å; K202-F207 HydrophobicContact CB-CE1 3.82Å; K202-F207 HydrophobicContact CD-CE1 3.79Å; K202-F207 HydrophobicContact CD-CZ 4.06Å; K202-F207 HydrophobicContact CG-CD1 3.95Å; K202-F207 HydrophobicContact CG-CE1 3.65Å; K202-F207 HydrophobicContact CG-CZ 4.2Å; F207-V220 PolarHBondContact O-N 3Å; F207-T222 HydrophobicContact CD2-CG2 4.17Å; F207-T222 HydrophobicContact CE2-CG2 4.48Å
208F94.3Very high91.7Very high65 Ų6570.6 Ų70.629%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-108.7128.2173.6-71-74.5000109.6D201 D203 C218D201-F208 PolarHBondContact N-O 3.35Å; D201-F208 PolarHBondContact O-N 3.3Å; D203-F208 HydrophobicContact CB-CD2 3.58Å; D203-F208 HydrophobicContact CB-CE2 3.65Å; F208-C218 CarbonylContact C-O 3.53Å; F208-C218 WeakPolarHBondContact CA-O 3.3Å
209L94.1Very high91.8Very high0 Ų074.3 Ų74.30%038%0.383CS..EExtended strand (participates in β ladder)trans-95.8111.7171-176.7153.6000107.9Y187 T198 V199 L200 C218 V220Y187-L209 WeakPolarHBondContact O-CD1 3.38Å; T198-L209 HydrophobicContact CG2-CD2 3.65Å; T198-L209 HydrophobicContact CG2-CG 4.31Å; V199-L209 WeakPolarHBondContact O-CA 3.03Å; L200-L209 HydrophobicContact CD1-CB 4.36Å; L209-C218 PolarHBondContact N-O 3.08Å; L209-C218 PolarHBondContact O-N 3.48Å; L209-V220 HydrophobicContact CB-CG2 3.54Å; L209-V220 HydrophobicContact CD1-CG2 4.17Å
210Q94.8Very high91.7Very high43 Ų4372 Ų7220%0.20137%0.369CS..EExtended strand (participates in β ladder)trans-101120.1176.1-178.8165-30.600109.2T198 V199 R217T198-Q210 CarbonylContact C-O 3.53Å; T198-Q210 VanDerWaalsContact CA-O 3.31Å; T198-Q210 WeakPolarHBondContact CA-O 3.35Å; V199-Q210 PolarHBondContact N-O 3.34Å; V199-Q210 PolarHBondContact O-N 3.4Å; Q210-R217 HydrophobicContact CB-CG 4.42Å; Q210-R217 HydrophobicContact CG-CG 4.25Å; Q210-R217 VanDerWaalsContact OE1-NH2 3.15Å
211C93.1Very high91.7Very high1 Ų173.7 Ų73.71%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-86.3134.1175.4-175.40000110.9C190 C193 S195 T198 T213 C214 G215 S216C190-C211 HydrophobicContact CB-CB 4.04Å; C193-C211 VanDerWaalsContact SG-SG 3.62Å; S195-C211 PolarHBondContact OG-SG 3.49Å; T198-C211 HydrophobicContact CG2-CB 4.06Å; C211-T213 PolarHBondContact SG-N 2.85Å; C211-T213 VanDerWaalsContact SG-N 3.43Å; C211-C214 WeakPolarHBondContact CB-SG 3.49Å; C211-C214 PolarHBondContact SG-SG 2.97Å; C211-G215 WeakPolarHBondContact O-CA 3.31Å; C211-G215 PolarHBondContact O-N 2.96Å; C211-S216 PolarHBondContact N-O 3.31Å
212Q90.6Very high91.6Very high121 Ų12172.2 Ų72.257%0.56538%0.381SS*.THydrogen-bonded Turntrans-79.9-26.3177.8-61-60.8-1300112.4D197 V199D197-Q212 PolarHBondContact O-N 2.97Å; V199-Q212 HydrophobicContact CG2-CG 4.33Å
213T87.6Confident91.7Very high42 Ų4267 Ų6726%0.25836%0.36SS..THydrogen-bonded Turntrans-78.9-49.5-176.1-31.60000111.6N100 S195 C211N100-T213 WeakPolarHBondContact OD1-CG2 3.34Å; N100-T213 PolarHBondContact OD1-O 3.03Å; S195-T213 PolarHBondContact OG-OG1 2.89Å; S195-T213 VanDerWaalsContact OG-OG1 3.05Å; C211-T213 PolarHBondContact SG-N 2.85Å; C211-T213 VanDerWaalsContact SG-N 3.43Å
214C86.7Confident91.5Very high50 Ų5070.7 Ų70.734%0.33837%0.371SS..THydrogen-bonded Turntrans-103.4-8.4-179.460.50000114.7C190 C193 C211 S216C190-C214 VanDerWaalsContact SG-SG 3.67Å; C193-C214 HydrophobicContact CB-CB 4.39Å; C211-C214 WeakPolarHBondContact CB-SG 3.49Å; C211-C214 PolarHBondContact SG-SG 2.97Å; C214-S216 PolarHBondContact O-N 3.24Å; C214-S216 PolarHBondContact SG-OG 3.32Å
215G87.5Confident91.3Very high51 Ų5169.5 Ų69.553%0.52637%0.368SS..  trans70.33.3-177.500000115C211C211-G215 WeakPolarHBondContact O-CA 3.31Å; C211-G215 PolarHBondContact O-N 2.96Å
216S91.2Very high90.9Very high28 Ų2861.6 Ų61.620%0.19636%0.355CS..  trans-70.5134.9-179.664.60000111C190 T192 C211 C214C190-S216 PolarHBondContact SG-OG 3.14Å; C190-S216 VanDerWaalsContact SG-OG 3.34Å; T192-S216 PolarHBondContact OG1-OG 2.99Å; C211-S216 PolarHBondContact N-O 3.31Å; C214-S216 PolarHBondContact O-N 3.24Å; C214-S216 PolarHBondContact SG-OG 3.32Å
217R93.3Very high90.5Very high185 Ų18566.9 Ų66.970%0.69838%0.375SS*.EExtended strand (participates in β ladder)trans-100.7122.7169.1-69.1-178.4168.2170.8-1.7109.2Q210Q210-R217 HydrophobicContact CB-CG 4.42Å; Q210-R217 HydrophobicContact CG-CG 4.25Å; Q210-R217 VanDerWaalsContact OE1-NH2 3.15Å
218C92.8Very high89.9Confident26 Ų2669.8 Ų69.818%0.17639%0.389CS..EExtended strand (participates in β ladder)trans-121.7136177.2-60.40000109.4F208 L209F208-C218 CarbonylContact C-O 3.53Å; F208-C218 WeakPolarHBondContact CA-O 3.3Å; L209-C218 PolarHBondContact N-O 3.08Å; L209-C218 PolarHBondContact O-N 3.48Å
219S93.4Very high89.2Confident81 Ų8170 Ų7057%0.56640%0.403SS*.EExtended strand (participates in β ladder)trans-76.2136168.150.10000109.6
220V93.1Very high88.5Confident10 Ų1073.7 Ų73.76%0.06143%0.425CS..EExtended strand (participates in β ladder)trans-110.6148.6176.6-171.70000109.3Y187 F207 L209 T222Y187-V220 HydrophobicContact CD1-CB 4.35Å; Y187-V220 HydrophobicContact CD1-CG1 3.43Å; Y187-V220 VanDerWaalsContact CD1-CG1 3.43Å; Y187-V220 HydrophobicContact CE1-CB 4.39Å; Y187-V220 HydrophobicContact CE1-CG1 3.37Å; Y187-V220 HydrophobicContact CG-CG1 4.2Å; F207-V220 PolarHBondContact O-N 3Å; L209-V220 HydrophobicContact CB-CG2 3.54Å; L209-V220 HydrophobicContact CD1-CG2 4.17Å; V220-T222 PolarHBondContact O-N 2.8Å
221A92.2Very high87.7Confident67 Ų6777 Ų7755%0.55445%0.448SS*.  trans-57.1136.5174.500000110.5Y187Y187-A221 WeakPolarHBondContact CE1-O 3.24Å; Y187-A221 PolarHBondContact OH-O 3.15Å; Y187-A221 VanDerWaalsContact OH-O 3.09Å
222T92.3Very high86.9Confident41 Ų4183 Ų8325%0.25249%0.485SS..  trans-69.7137171.356.70000109.4R205 L206 F207 V220 K224R205-T222 VanDerWaalsContact O-CG2 3.32Å; R205-T222 WeakPolarHBondContact O-CG2 3.47Å; L206-T222 HydrophobicContact CD2-CG2 4.26Å; F207-T222 HydrophobicContact CD2-CG2 4.17Å; F207-T222 HydrophobicContact CE2-CG2 4.48Å; V220-T222 PolarHBondContact O-N 2.8Å; T222-K224 PolarHBondContact O-N 2.78Å
223I92.2Very high86.2Confident41 Ų4184.2 Ų84.221%0.2149%0.485CS..  trans-61.2112.9172.7-56.9168.9000108.5H144 A147 F148 A151 Y187H144-I223 WeakPolarHBondContact NE2-CD1 3.24Å; H144-I223 WeakPolarHBondContact O-CD1 3.34Å; A147-I223 HydrophobicContact CB-CD1 4.17Å; A147-I223 HydrophobicContact CB-CG2 4.48Å; F148-I223 HydrophobicContact CB-CD1 3.81Å; F148-I223 HydrophobicContact CB-CG1 4.4Å; F148-I223 HydrophobicContact CD2-CG1 4.25Å; A151-I223 HydrophobicContact CB-CG2 3.92Å; Y187-I223 HydrophobicContact CE1-CG1 4.31Å
224K88.1Confident85.8Confident168 Ų16889.3 Ų89.373%0.7350%0.499SS*.  trans-107.9120.2173.6-67176.9-175.2177.30107.8T222 G226T222-K224 PolarHBondContact O-N 2.78Å; K224-G226 PolarHBondContact O-N 3.45Å
225S84.9Confident85.5Confident94 Ų9490.7 Ų90.766%0.65751%0.514SS*.PPolyproline II helixtrans-69.1116.816553.30000108
226G81.4Confident85.4Confident54 Ų5495 Ų9556%0.55752%0.52SS*.PPolyproline II helixtrans-60.6162.9171.300000111.6K224 Q228K224-G226 PolarHBondContact O-N 3.45Å; G226-Q228 PolarHBondContact O-N 2.98Å
227F83.7Confident85Confident197 Ų19796.7 Ų96.786%0.86453%0.53SS*.PPolyproline II helixtrans-61.7125.1173.3179.4-99.8000110.1A229F227-A229 HydrophobicContact CE1-CB 4.31Å
228Q80.4Confident84.5Confident100 Ų10095.2 Ų95.247%0.46752%0.524SS..  trans-97.9112.5175.8-66.6-1772.900109.2G226 V230G226-Q228 PolarHBondContact O-N 2.98Å; Q228-V230 PolarHBondContact O-N 3.15Å; Q228-V230 VanDerWaalsContact O-N 3.09Å
229A79.5Confident84.2Confident69 Ų6998 Ų9857%0.5755%0.549SS*.  trans-68.1108.2177.700000110.5F227 T231F227-A229 HydrophobicContact CE1-CB 4.31Å; A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 HydrophobicContact CB-CG2 4.15Å; A229-T231 PolarHBondContact O-N 2.73Å
230V79.4Confident83.9Confident79 Ų7998.3 Ų98.348%0.47956%0.557SS.*  trans-80.480173.4-171.30000108.7Q228 R233Q228-V230 PolarHBondContact O-N 3.15Å; Q228-V230 VanDerWaalsContact O-N 3.09Å; V230-R233 HydrophobicContact CG1-CB 4.12Å
231T79Confident83.4Confident111 Ų111102.4 Ų102.468%0.68158%0.582SS**  trans-81.9-46.3-179.8550000111.8A229A229-T231 VanDerWaalsContact C-N 3.29Å; A229-T231 HydrophobicContact CB-CG2 4.15Å; A229-T231 PolarHBondContact O-N 2.73Å
232T76.7Confident82.5Confident128 Ų128102.7 Ų102.779%0.78559%0.592SS**SBendtrans-87.2-24-167.947.60000115.1
233R75.6Confident80.7Confident147 Ų147109.4 Ų109.456%0.55563%0.632SS**SBendtrans-107.47.4-171.9-63.1-170.8-171.1177.82.3115V230 A235 Q236 T237V230-R233 HydrophobicContact CG1-CB 4.12Å; R233-A235 VanDerWaalsContact C-N 3.31Å; R233-A235 PolarHBondContact O-N 3.17Å; R233-Q236 PolarHBondContact O-N 3.06Å; R233-Q236 VanDerWaalsContact O-N 3.14Å; R233-T237 HydrophobicContact CB-CG2 4.34Å; R233-T237 WeakPolarHBondContact O-CG2 3.41Å; R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.26Å
234R78.5Confident80.1Confident149 Ų149112.9 Ų112.956%0.56265%0.653SS**Hα-helixtrans-56.7-41.9-172.4-169.4-179.4-74-167.9-4.7113T237 R238R234-T237 VanDerWaalsContact CA-OG1 3.31Å; R234-T237 WeakPolarHBondContact CA-OG1 3.48Å; R234-T237 PolarHBondContact O-OG1 3.48Å; R234-R238 WeakPolarHBondContact O-CB 3.34Å; R234-R238 VanDerWaalsContact O-CG 3.24Å; R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 2.96Å
235A81.4Confident79.7Confident79 Ų79109.9 Ų109.965%0.65365%0.649SS**Hα-helixtrans-66.2-45.6178.100000112.2R233 R238 A239R233-A235 VanDerWaalsContact C-N 3.31Å; R233-A235 PolarHBondContact O-N 3.17Å; A235-R238 PolarHBondContact O-N 3.09Å; A235-A239 PolarHBondContact O-N 3.41Å
236Q83.7Confident79.4Confident140 Ų140110.8 Ų110.865%0.65465%0.649SS**Hα-helixtrans-64.9-40.8177.6-67.8178.2-6.400112R233 A239 A240R233-Q236 PolarHBondContact O-N 3.06Å; R233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-A239 PolarHBondContact O-N 3.19Å; Q236-A240 WeakPolarHBondContact O-CB 3.44Å; Q236-A240 PolarHBondContact O-N 2.74Å
237T82.6Confident79.3Confident65 Ų65114.2 Ų114.240%0.39965%0.654SS.*Hα-helixtrans-65.7-40.1176.549.90000111.3R233 R234 A240 T241R233-T237 HydrophobicContact CB-CG2 4.34Å; R233-T237 WeakPolarHBondContact O-CG2 3.41Å; R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.26Å; R234-T237 VanDerWaalsContact CA-OG1 3.31Å; R234-T237 WeakPolarHBondContact CA-OG1 3.48Å; R234-T237 PolarHBondContact O-OG1 3.48Å; T237-A240 PolarHBondContact O-N 3.36Å; T237-T241 WeakPolarHBondContact O-CG2 3.47Å; T237-T241 PolarHBondContact O-N 3.19Å; T237-T241 PolarHBondContact O-OG1 2.77Å
238R83.4Confident79Confident153 Ų153109 Ų10958%0.57764%0.641SS**Hα-helixtrans-61.8-48.5175.4-77.6174.9176.3-178-4.9111.8R234 A235 A240 T241 G242R234-R238 WeakPolarHBondContact O-CB 3.34Å; R234-R238 VanDerWaalsContact O-CG 3.24Å; R234-R238 WeakPolarHBondContact O-CG 3.33Å; R234-R238 PolarHBondContact O-N 2.96Å; A235-R238 PolarHBondContact O-N 3.09Å; R238-A240 VanDerWaalsContact C-N 3.27Å; R238-A240 PolarHBondContact O-N 3.14Å; R238-T241 WeakPolarHBondContact CA-OG1 3.41Å; R238-T241 PolarHBondContact O-N 2.78Å; R238-T241 PolarHBondContact O-OG1 3.44Å; R238-G242 PolarHBondContact O-N 3.4Å
239A86.5Confident78.9Confident84 Ų84109.6 Ų109.669%0.69465%0.653SS**Hα-helixtrans-59.6-37.9176.200000112.4A235 Q236A235-A239 PolarHBondContact O-N 3.41Å; Q236-A239 PolarHBondContact O-N 3.19Å
240A87Confident78.9Confident88 Ų88112.5 Ų112.573%0.72766%0.658SS**Hα-helixtrans-73.3-31.6177.100000113.4Q236 T237 R238 G242Q236-A240 WeakPolarHBondContact O-CB 3.44Å; Q236-A240 PolarHBondContact O-N 2.74Å; T237-A240 PolarHBondContact O-N 3.36Å; R238-A240 VanDerWaalsContact C-N 3.27Å; R238-A240 PolarHBondContact O-N 3.14Å; A240-G242 VanDerWaalsContact C-N 3.29Å
241T83.2Confident78.8Confident97 Ų97115.1 Ų115.160%0.59567%0.672SS**Hα-helixtrans-79.1-9.9178.149.10000113.6T237 R238 V243T237-T241 WeakPolarHBondContact O-CG2 3.47Å; T237-T241 PolarHBondContact O-N 3.19Å; T237-T241 PolarHBondContact O-OG1 2.77Å; R238-T241 WeakPolarHBondContact CA-OG1 3.41Å; R238-T241 PolarHBondContact O-N 2.78Å; R238-T241 PolarHBondContact O-OG1 3.44Å; T241-V243 PolarHBondContact O-N 3.03Å; T241-V243 VanDerWaalsContact O-N 3.15Å
242G72.2Confident78.8Confident73 Ų73115.4 Ų115.475%0.75367%0.671SS**THydrogen-bonded Turntrans62.42217300000115R238 A240R238-G242 PolarHBondContact O-N 3.4Å; A240-G242 VanDerWaalsContact C-N 3.29Å
243V55Low79Confident182 Ų182114.3 Ų114.3100%1.10366%0.661SS**  trans-106.70172-176.20000109.2T241T241-V243 PolarHBondContact O-N 3.03Å; T241-V243 VanDerWaalsContact O-N 3.15Å

Retrieved 243 of 243 residues in 53.7 ms (Link to these results)