A0A024RAB9_HUMAN Loading...

Adiponectin A

AlphaFold DB , UniProt , Accession A0A024RAB9, Species HUMAN (Homo sapiens, Human), Gene ADIA, Length 253 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
1M41.4Very low50.6Low251 Ų251148.1 Ų148.1100%1.23677%0.766SS**  093.30-123.1164.7179.400107.3
2M37.2Very low51.6Low191 Ų191143.6 Ų143.694%0.94175%0.75SS**  trans-93.4115.7178.4-87.8-172.1158.100108.7K4M2-K4 PolarHBondContact O-N 3.38Å
3M42.9Very low52.3Low183 Ų183141.4 Ų141.490%0.90174%0.738SS**  trans-79.8109.3179.4-159.6148.27100108.6I5M3-I5 PolarHBondContact O-N 3.17Å
4K47.8Very low52.9Low202 Ų202140.6 Ų140.688%0.87873%0.731SS**  trans-78113.8173.5-74.9-176.2174.3-179.10108.7M2M2-K4 PolarHBondContact O-N 3.38Å
5I54.6Low53.4Low140 Ų140138.8 Ų138.872%0.71872%0.722SS**  trans-84.9127.3172.8-60.2166.9000107.7M3M3-I5 PolarHBondContact O-N 3.17Å
6P52Low53.9Low91 Ų91137.4 Ų137.459%0.59172%0.715SS**  trans-74.3130.6-178.628.7-31.1000110.9G8P6-G8 PolarHBondContact O-N 2.81Å
7W54.1Low54.2Low244 Ų244136.4 Ų136.492%0.92471%0.71SS**THydrogen-bonded Turntrans-64.65-178-95.1-6.8000116
8G56.3Low54.4Low59 Ų59135.1 Ų135.161%0.60870%0.704SS**THydrogen-bonded Turntrans-90.6-12.7-17900000115.6P6P6-G8 PolarHBondContact O-N 2.81Å
9S53.6Low54.5Low73 Ų73134.3 Ų134.351%0.5170%0.7SS.*SBendtrans-97.8-7.3-167.2-43.70000114.8L13S9-L13 PolarHBondContact O-N 3.46Å
10I58.8Low54.6Low109 Ų109130.9 Ų130.956%0.55970%0.698SS**Hα-helixtrans-71.9-42.4-174.8-55.4175000113.1V12 M14I10-V12 PolarHBondContact O-N 3.49Å; I10-M14 PolarHBondContact O-N 3.33Å; I10-M14 VanDerWaalsContact O-N 3.16Å
11P58.1Low54.5Low86 Ų86131 Ų13156%0.55870%0.699SS**Hα-helixtrans-73.3-28.5-17627.4-31.2000112.7L15P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.5Å; P11-L15 VanDerWaalsContact O-N 3.12Å
12V63Low55.2Low94 Ų94125.4 Ų125.457%0.5767%0.672SS**Hα-helixtrans-73.6-39.8178.4-1780000111.1I10 M14 L15 L16I10-V12 PolarHBondContact O-N 3.49Å; V12-M14 VanDerWaalsContact C-N 3.32Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-L16 HydrophobicContact CG1-CD1 4.19Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-L16 VanDerWaalsContact O-N 3.13Å
13L59.7Low56Low115 Ų115124 Ų12460%0.60267%0.669SS**Hα-helixtrans-68.6-33.7177-159.274000111.7S9 L17S9-L13 PolarHBondContact O-N 3.46Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-L17 VanDerWaalsContact O-N 3.17Å
14M61.6Low56.5Low130 Ų130122.7 Ų122.764%0.6466%0.663SS**Hα-helixtrans-73.2-35.5177.2-147.3-170.1-177.400112.6I10 V12 L17 L18I10-M14 PolarHBondContact O-N 3.33Å; I10-M14 VanDerWaalsContact O-N 3.16Å; V12-M14 VanDerWaalsContact C-N 3.32Å; M14-L17 PolarHBondContact O-N 3.16Å; M14-L18 WeakPolarHBondContact O-CD1 3.49Å; M14-L18 PolarHBondContact O-N 3.44Å; M14-L18 VanDerWaalsContact O-N 3.12Å
15L60.6Low56.8Low114 Ų114118.3 Ų118.360%0.59766%0.658SS**Hα-helixtrans-69.4-36.1175.3-163.672.4000112.4P11 V12 L18 L19P11-L15 WeakPolarHBondContact O-CB 3.5Å; P11-L15 PolarHBondContact O-N 3.5Å; P11-L15 VanDerWaalsContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 PolarHBondContact O-N 3.12Å
16L60.7Low56.9Low116 Ų116119.4 Ų119.461%0.60766%0.66SS**Hα-helixtrans-67.4-32.7172.4-86.7154.9000112.8V12V12-L16 HydrophobicContact CG1-CD1 4.19Å; V12-L16 PolarHBondContact O-N 3.43Å; V12-L16 VanDerWaalsContact O-N 3.13Å
17L59.3Low56.7Low121 Ų121119.6 Ų119.663%0.63467%0.67SS**Hα-helixtrans-71.7-34.1174-109.7114.3000112.8L13 M14 G20L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-L17 VanDerWaalsContact O-N 3.17Å; M14-L17 PolarHBondContact O-N 3.16Å; L17-G20 PolarHBondContact O-N 3.46Å
18L57.8Low56.6Low113 Ų113116.2 Ų116.259%0.59266%0.664SS**Hα-helixtrans-73.7-29.8178.6-80.5156.4000113.1M14 L15 G20M14-L18 WeakPolarHBondContact O-CD1 3.49Å; M14-L18 PolarHBondContact O-N 3.44Å; M14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 3.13Å
19L56.8Low56.4Low120 Ų120120.8 Ų120.863%0.62867%0.674SS**THydrogen-bonded Turntrans-77.8-9.9175.6-74.2164.1000113.8L15L15-L19 PolarHBondContact O-N 3.12Å
20G54.9Low56.4Low65 Ų65122.1 Ų122.167%0.6768%0.683SS**THydrogen-bonded Turntrans-91.91.8-179.900000115.8L17 L18L17-G20 PolarHBondContact O-N 3.46Å; L18-G20 VanDerWaalsContact C-N 3.29Å; L18-G20 PolarHBondContact O-N 3.13Å
21L53.6Low55.9Low135 Ų135122.2 Ų122.271%0.70769%0.692SS**SBendtrans-110.88.5-173.2-73172.1000115.1
22I56.6Low55.9Low133 Ų133123.9 Ų123.968%0.68270%0.701SS**  trans-107.778176.124.3174.4000109.8
23D52.3Low55.5Low161 Ų161122.1 Ų122.186%0.86170%0.702SS**  trans-160.266.2152.4-92.2-33.3000108.9S25D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 3.12Å; D23-S25 VanDerWaalsContact O-N 3.14Å
24I53.8Low55.2Low155 Ų155122.4 Ų122.480%0.79571%0.711SS**  trans-81.984.2163.2-56.7177.7000106.5Q26I24-Q26 PolarHBondContact O-N 3.36Å; I24-Q26 VanDerWaalsContact O-N 3.13Å
25S54.1Low55.2Low110 Ų110121.7 Ų121.777%0.76972%0.716SS**  trans-64.4108.6167.9-1760000108.4D23 A27D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 3.12Å; D23-S25 VanDerWaalsContact O-N 3.14Å; S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact O-N 3.07Å
26Q56.9Low55.2Low163 Ų163120.7 Ų120.776%0.76272%0.724SS**  trans-63.3107.3170-72-175.9-35.300109.2I24 Q28I24-Q26 PolarHBondContact O-N 3.36Å; I24-Q26 VanDerWaalsContact O-N 3.13Å; Q26-Q28 PolarHBondContact O-N 3.41Å
27A47.3Very low54.7Low95 Ų95123 Ų12379%0.78574%0.735SS**  trans-8586.5162.900000108.4S25 L29S25-A27 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact O-N 3.07Å; A27-L29 PolarHBondContact O-N 3.49Å; A27-L29 VanDerWaalsContact O-N 3.08Å
28Q53.5Low54.9Low174 Ų174122.5 Ų122.581%0.81374%0.74SS**  trans-72.795163.4-74-178.6-72.200108.4Q26 S30Q26-Q28 PolarHBondContact O-N 3.41Å; Q28-S30 PolarHBondContact O-N 3.45Å; Q28-S30 VanDerWaalsContact O-N 3.13Å
29L50.4Low54.9Low154 Ų154120.5 Ų120.581%0.80675%0.746SS**  trans-80.984.1170.9-161.781.2000109A27A27-L29 PolarHBondContact O-N 3.49Å; A27-L29 VanDerWaalsContact O-N 3.08Å
30S54.4Low55.1Low102 Ų102122.6 Ų122.671%0.71376%0.756SS**  trans-10480.3164.9-173.50000108.7Q28 T32Q28-S30 PolarHBondContact O-N 3.45Å; Q28-S30 VanDerWaalsContact O-N 3.13Å; S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.16Å
31C48Very low55.4Low110 Ų110125 Ų12574%0.74376%0.76SS**  trans-85.278.3173-67.20000109.9
32T58.6Low55.7Low121 Ų121121.9 Ų121.974%0.74276%0.761SS**  trans-104.696.6155.8-42.60000105.8S30S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.16Å
33G54.9Low56.1Low58 Ų58123.5 Ų123.560%0.59877%0.769SS**PPolyproline II helixtrans-57.7137.5171.100000108.9
34P53Low56.7Low120 Ų120121.4 Ų121.478%0.77976%0.764SS**PPolyproline II helixtrans-56.9142.3175.123.4-31.3000109.2
35P62Low56.8Low116 Ų116117.4 Ų117.475%0.75376%0.761SS**PPolyproline II helixtrans-54.9146.7174.921.8-30.8000110I37P35-I37 PolarHBondContact O-N 3.48Å
36A60.8Low57.2Low93 Ų93118.1 Ų118.177%0.76976%0.761SS**PPolyproline II helixtrans-50.6126.7174.400000109.2P38A36-P38 WeakPolarHBondContact O-CD 3.44Å; A36-P38 VanDerWaalsContact O-N 3.13Å
37I50.7Low57.7Low164 Ų164116.2 Ų116.284%0.84176%0.763SS**PPolyproline II helixtrans-61.5116.1-178.2-57.7170.8000107.2P35P35-I37 PolarHBondContact O-N 3.48Å
38P62.1Low58.4Low111 Ų111114 Ų11472%0.72175%0.75SS**PPolyproline II helixtrans-58.6142.6173.5-2133.3000109.3A36 I40A36-P38 WeakPolarHBondContact O-CD 3.44Å; A36-P38 VanDerWaalsContact O-N 3.13Å; P38-I40 PolarHBondContact O-N 3.13Å
39G58.8Low58.8Low71 Ų71111.8 Ų111.873%0.73275%0.75SS**PPolyproline II helixtrans-53.4141.6174.200000110.8P41G39-P41 WeakPolarHBondContact O-CD 3.38Å
40I59.5Low59.5Low163 Ų163112.3 Ų112.384%0.83675%0.754SS**PPolyproline II helixtrans-59.5125.5179.7-54172.9000107.9P38 G42P38-I40 PolarHBondContact O-N 3.13Å; I40-G42 PolarHBondContact O-N 3.41Å
41P62.8Low59.8Low115 Ų115110.5 Ų110.575%0.74775%0.751SS**PPolyproline II helixtrans-55.3140.6174.4-2534.1000110.9G39G39-P41 WeakPolarHBondContact O-CD 3.38Å
42G59.9Low60.6Low71 Ų71113.9 Ų113.973%0.73276%0.756SS**PPolyproline II helixtrans-58.2148.3175.700000111.9I40I40-G42 PolarHBondContact O-N 3.41Å
43I63.3Low61Low167 Ų167114.1 Ų114.186%0.85676%0.76SS**PPolyproline II helixtrans-63.9134.7177.4-54.1172.6000108.8
44P66.8Low61.4Low116 Ų116114.2 Ų114.275%0.75376%0.761SS**PPolyproline II helixtrans-55.3142.7173.6-25.134.2000112
45G55.5Low62Low71 Ų71114.7 Ų114.773%0.73276%0.761SS**PPolyproline II helixtrans-61.3152174.900000112.2
46T62.6Low62.2Low126 Ų126115 Ų11577%0.77376%0.764SS**PPolyproline II helixtrans-66.9148.9175.952.40000111.3
47P67.3Low62.4Low123 Ų123113.7 Ų113.780%0.79976%0.759SS**PPolyproline II helixtrans-53.8144.7170.8-24.734.5000111.9
48G60.7Low63.2Low49 Ų49114 Ų11451%0.50576%0.761SS.*PPolyproline II helixtrans-65.3160.5174.200000112.2
49P62.1Low63.4Low127 Ų127118.6 Ų118.683%0.82577%0.769SS**PPolyproline II helixtrans-6715617729.5-35000112
50D66.1Low63.7Low164 Ų164118.2 Ų118.288%0.87777%0.766SS**PPolyproline II helixtrans-59.8146.6174.5-69.8-25.3000111.8
51G60.9Low64.1Low64 Ų64120 Ų12066%0.6677%0.77SS**PPolyproline II helixtrans-65.7153.1175.800000112.6
52Q65.3Low64.4Low182 Ų182124.5 Ų124.585%0.8578%0.778SS**PPolyproline II helixtrans-66.1146.2178.1-65.8-1731500112
53P66.6Low64.8Low126 Ų126124.2 Ų124.282%0.81878%0.776SS**PPolyproline II helixtrans-58.2144173.3-22.933.2000112.4
54G61.9Low64.9Low60 Ų60124.4 Ų124.462%0.61978%0.778SS**PPolyproline II helixtrans-63.9155.3173.400000112.6
55T67Low65.1Low129 Ų129124.7 Ų124.779%0.79178%0.779SS**PPolyproline II helixtrans-69.8149.5178.448.50000112.1
56P65Low65.7Low124 Ų124125 Ų12581%0.80578%0.782SS**PPolyproline II helixtrans-60.1142.4174.7-2333.6000112.3
57G64.6Low65.5Low65 Ų65127.6 Ų127.667%0.6779%0.79SS**PPolyproline II helixtrans-65153.8174.900000112.7
58I68.9Low65.3Low170 Ų170126.3 Ų126.387%0.87279%0.79SS**PPolyproline II helixtrans-63.4143.3176.858174000111.6
59K65.6Low65.3Low207 Ų207127.6 Ų127.690%0.980%0.804SS**PPolyproline II helixtrans-69.5135.7176.7-173.8177.4179.4178.10109.9
60G66.3Low64.8Low64 Ų64129.7 Ų129.766%0.6681%0.808SS**PPolyproline II helixtrans-62.6154.1176.200000113.1
61E68Low64Low200 Ų200131.2 Ų131.294%0.93581%0.809SS**PPolyproline II helixtrans-66153.1-179.8-62.3-174.6157.200112.4
62K68.3Low63.4Low209 Ų209131.4 Ų131.491%0.90981%0.812SS**PPolyproline II helixtrans-73.4135.8179.1-171.3178.9178.6-1780109.9
63G67.4Low62.2Low66 Ų66131.9 Ų131.968%0.6881%0.814SS**PPolyproline II helixtrans-60150.5174.900000112.9
64L65.2Low61.1Low171 Ų171136.2 Ų136.290%0.89582%0.82SS**PPolyproline II helixtrans-65.1146.1-179.1-66.5168.3000111.8
65P71Confident60.3Low121 Ų121136.5 Ų136.579%0.78682%0.823SS**PPolyproline II helixtrans-62.1146.3173.4-19.431.5000112.5
66G68.3Low59.3Low77 Ų77139.7 Ų139.779%0.79483%0.829SS**PPolyproline II helixtrans-67.7147.5173.700000112.4
67L60.1Low58.5Low181 Ų181143.9 Ų143.995%0.94883%0.834SS**PPolyproline II helixtrans-66.7139.3177.5-78.2146.5000111.3
68A61.2Low58.3Low97 Ų97143.5 Ų143.580%0.80283%0.831SS**PPolyproline II helixtrans-71.2137.8176.100000110.9
69G62.3Low57.8Low76 Ų76142.9 Ų142.978%0.78483%0.829SS**PPolyproline II helixtrans-87.1144.3172.100000111.9
70D51.7Low57.8Low171 Ų171138.7 Ų138.791%0.91482%0.823SS**PPolyproline II helixtrans-71.8154.2-174-70.1-39.3000114.5
71H48.5Very low57.9Low195 Ų195139 Ų13990%0.90383%0.826SS**PPolyproline II helixtrans-83.9138.7-174.2-158.370.3000112.8
72G47.9Very low57.8Low69 Ų69137.2 Ų137.271%0.71182%0.821SS**  trans-164.5141.1169.600000111.4
73E41.2Very low57.8Low191 Ų191132.6 Ų132.689%0.89381%0.813SS**  trans-72.7148.4-158.1-67.9-179.3137.100117.6
74F41.8Very low57.8Low218 Ų218132.8 Ų132.896%0.95682%0.815SS**  trans-7.6120.8168.9-122.6-101.7000121.4
75G46.5Very low57.9Low66 Ų66132.1 Ų132.168%0.6881%0.813SS**  trans-156.7153.2154.700000109
76E45.3Very low57.7Low195 Ų195132.2 Ų132.291%0.91181%0.813SS**SBendtrans-24.5138.3-166.8-66.2-177.9132.300118.7G78E76-G78 PolarHBondContact O-N 3.44Å
77K48.4Very low57.5Low212 Ų212132 Ų13292%0.92281%0.81SS**  trans-52.894.6-176.8-171.7-177-169.8-179.70111.6
78G59.4Low57.8Low58 Ų58133.5 Ų133.560%0.59881%0.81SS**PPolyproline II helixtrans-61.8147.416700000110.7E76E76-G78 PolarHBondContact O-N 3.44Å
79D60.1Low58.2Low156 Ų156135.8 Ų135.883%0.83481%0.813SS**PPolyproline II helixtrans-50.8143.4175.3-69.5-48.1000110.9G81D79-G81 PolarHBondContact O-N 3.39Å
80P65.9Low58.3Low120 Ų120134.8 Ų134.878%0.77980%0.803SS**PPolyproline II helixtrans-50.7127-180-24.932.6000111I82P80-I82 PolarHBondContact O-N 3.02Å
81G66.6Low59.1Low70 Ų70132.8 Ų132.872%0.72280%0.799SS**PPolyproline II helixtrans-52.5135.3176.100000110.7D79D79-G81 PolarHBondContact O-N 3.39Å
82I65.9Low59.9Low162 Ų162133.4 Ų133.483%0.83180%0.799SS**PPolyproline II helixtrans-56.3129.6-179-48.2170.1000108.1P80 G84P80-I82 PolarHBondContact O-N 3.02Å; I82-G84 PolarHBondContact O-N 3.14Å
83P69.1Low60.8Low112 Ų112132.3 Ų132.373%0.72779%0.788SS**PPolyproline II helixtrans-52.4133.8176.4-26.634000111N85P83-N85 PolarHBondContact O-N 3.07Å
84G67.1Low62.1Low71 Ų71129.1 Ų129.173%0.73278%0.784SS**PPolyproline II helixtrans-56140.617600000111I82I82-G84 PolarHBondContact O-N 3.14Å
85N67.3Low63.2Low157 Ų157127.7 Ų127.784%0.8478%0.783SS**PPolyproline II helixtrans-56.6142.2179.4-70.4-43.6000110.8P83 G87P83-N85 PolarHBondContact O-N 3.07Å; N85-G87 PolarHBondContact O-N 3.28Å
86P66.8Low64.2Low122 Ų122126.6 Ų126.679%0.79277%0.771SS**PPolyproline II helixtrans-52.5140173.1-2533.3000111.4
87G65.1Low65.2Low72 Ų72123.2 Ų123.274%0.74277%0.766SS**PPolyproline II helixtrans-56.2146173.600000111.3N85 V89N85-G87 PolarHBondContact O-N 3.28Å; G87-V89 PolarHBondContact O-N 3.36Å
88K66.6Low65.9Low214 Ų214123 Ų12393%0.9377%0.765SS**PPolyproline II helixtrans-58.6140177.3-64.9-175.8-179.4-178.60110.1G90K88-G90 PolarHBondContact O-N 3.08Å
89V68.8Low66.1Low144 Ų144122.9 Ų122.987%0.87376%0.764SS**PPolyproline II helixtrans-58.8130.8172.7-178.90000108.6G87G87-V89 PolarHBondContact O-N 3.36Å
90G65.3Low66.8Low55 Ų55118.4 Ų118.457%0.56776%0.755SS**PPolyproline II helixtrans-62157178.200000112.3K88K88-G90 PolarHBondContact O-N 3.08Å
91P68.1Low66.9Low129 Ų129119.2 Ų119.284%0.83876%0.76SS**PPolyproline II helixtrans-61147.917826.6-33.8000111.2G93P91-G93 PolarHBondContact O-N 3Å
92K65.4Low66.8Low209 Ų209118.8 Ų118.891%0.90976%0.756SS**PPolyproline II helixtrans-59.9133.9172-171178.2-179.7-179.90108.9
93G66Low67.1Low46 Ų46115.2 Ų115.247%0.47475%0.751SS.*PPolyproline II helixtrans-59157.4176.500000112.5P91P91-G93 PolarHBondContact O-N 3Å
94P68.7Low67.1Low124 Ų124116 Ų11681%0.80576%0.756SS**PPolyproline II helixtrans-60.5151.8178.526.4-34.1000111.4G96P94-G96 PolarHBondContact O-N 3.35Å
95M65.8Low67.2Low188 Ų188115.6 Ų115.693%0.92675%0.751SS**PPolyproline II helixtrans-62.2133.3172.8-173.316167.200109.4
96G67.1Low67.5Low43 Ų43112.4 Ų112.444%0.44375%0.747SS.*PPolyproline II helixtrans-61.5159.2177.200000112.2P94P94-G96 PolarHBondContact O-N 3.35Å
97P66.6Low67.9Low123 Ų123112.8 Ų112.880%0.79975%0.749SS**PPolyproline II helixtrans-60.9147.817826.4-33.8000111.2G99P97-G99 PolarHBondContact O-N 3.23Å
98K63.3Low68.1Low207 Ų207112.2 Ų112.290%0.974%0.743SS**PPolyproline II helixtrans-60.9131.7173.4-171.4176.4179.7179.20108.9
99G63.8Low68.5Low57 Ų57108.2 Ų108.259%0.58874%0.739SS**PPolyproline II helixtrans-55.6146.6175.400000111.7P97P97-G99 PolarHBondContact O-N 3.23Å
100G73.7Confident68.6Low62 Ų62111 Ų11164%0.63974%0.739SS**PPolyproline II helixtrans-64163.3177.500000112.7
101P67.9Low68.3Low136 Ų136111.2 Ų111.288%0.88374%0.742SS**PPolyproline II helixtrans-55.8140.1172.4-21.732.7000111.3
102G64.8Low67.9Low61 Ų61114.3 Ų114.363%0.62975%0.745SS**PPolyproline II helixtrans-59.6154.1172.900000111.6
103A71.8Confident67.4Low88 Ų88108.9 Ų108.973%0.72773%0.734SS**PPolyproline II helixtrans-60.9150.7175.300000111G105A103-G105 PolarHBondContact O-N 3.13Å
104P69.6Low66.9Low129 Ų129110 Ų11084%0.83875%0.745SS**PPolyproline II helixtrans-52.7139.3170.7-24.533.9000111.1
105G68Low66Low61 Ų61109.7 Ų109.763%0.62974%0.737SS**PPolyproline II helixtrans-57.8151.4174.700000111.5A103A103-G105 PolarHBondContact O-N 3.13Å
106A75.5Confident65.4Low91 Ų91109 Ų10975%0.75273%0.725SS**PPolyproline II helixtrans-60.1150.8175.400000110.9G108A106-G108 PolarHBondContact O-N 3.08Å
107P74.5Confident64.4Low129 Ų129116.3 Ų116.384%0.83875%0.745SS**PPolyproline II helixtrans-51.9139.1169.2-24.734000110.8
108G69.1Low63.6Low60 Ų60111.5 Ų111.562%0.61972%0.715SS**PPolyproline II helixtrans-57.9155.7175.700000111.6A106A106-G108 PolarHBondContact O-N 3.08Å
109P75.4Confident63.3Low130 Ų130107.4 Ų107.484%0.84471%0.708SS**PPolyproline II helixtrans-57.5144.5175.325.8-33.5000110.1G111P109-G111 PolarHBondContact O-N 3.16Å
110K70Confident63.9Low202 Ų202107.4 Ų107.488%0.87869%0.692SS**PPolyproline II helixtrans-55.4133.3170.7-173179.7179.1-178.70108.1
111G59.4Low64.4Low61 Ų61109.2 Ų109.263%0.62968%0.683SS**PPolyproline II helixtrans-52.1148.8174.400000111.1P109 S113P109-G111 PolarHBondContact O-N 3.16Å; G111-S113 PolarHBondContact O-N 3.18Å
112E59.7Low65.7Low194 Ų194103.1 Ų103.191%0.90764%0.642SS**PPolyproline II helixtrans-53.8140.7176.8-64.5-171.2153.600110.1G114E112-G114 PolarHBondContact O-N 3.46Å
113S55.3Low67.3Low94 Ų94101.4 Ų101.466%0.65762%0.623SS**PPolyproline II helixtrans-57.5137.4173.3-172.60000108.7G111 D115G111-S113 PolarHBondContact O-N 3.18Å; S113-D115 CarbonylContact O-C 3.51Å; S113-D115 PolarHBondContact O-N 3.46Å
114G54.9Low68.6Low70 Ų7097.4 Ų97.472%0.72259%0.589SS**SBendtrans-62.36.8173.600000114.7E112 Y116E112-G114 PolarHBondContact O-N 3.46Å; G114-Y116 VanDerWaalsContact O-CD1 3.22Å; G114-Y116 WeakPolarHBondContact O-CD1 3.39Å; G114-Y116 PolarHBondContact O-N 3.49Å
115D50.6Low69.9Low117 Ų11792.7 Ų92.763%0.62656%0.559SS**  trans-70.768.8156.3-107.9-25.4000108.3S113 K117S113-D115 CarbonylContact O-C 3.51Å; S113-D115 PolarHBondContact O-N 3.46Å; D115-K117 PolarHBondContact O-N 3.21Å; D115-K117 VanDerWaalsContact O-N 3.1Å
116Y51.7Low71.4Confident175 Ų17589.8 Ų89.869%0.68653%0.529SS*.  trans-50.5125.1146.563.1-80.1000103.9G114 A118G114-Y116 VanDerWaalsContact O-CD1 3.22Å; G114-Y116 WeakPolarHBondContact O-CD1 3.39Å; G114-Y116 PolarHBondContact O-N 3.49Å; Y116-A118 HydrophobicContact CD2-CB 3.71Å; Y116-A118 HydrophobicContact CE2-CB 3.27Å; Y116-A118 PolarHBondContact O-N 3.33Å
117K47.2Very low72.5Confident196 Ų19686.1 Ų86.185%0.85250%0.497SS*.  trans-60.984.2174.3-69.1-177.2179.9178.70106.9D115 T119D115-K117 PolarHBondContact O-N 3.21Å; D115-K117 VanDerWaalsContact O-N 3.1Å; K117-T119 PolarHBondContact O-N 2.83Å
118A50.2Low73.6Confident21 Ų2180.3 Ų80.317%0.17446%0.459CS..  trans-68.482.9170.800000104.4Y116 Q120 K121Y116-A118 HydrophobicContact CD2-CB 3.71Å; Y116-A118 HydrophobicContact CE2-CB 3.27Å; Y116-A118 PolarHBondContact O-N 3.33Å; A118-Q120 PolarHBondContact O-N 2.93Å; A118-K121 HydrophobicContact CB-CG 3.84Å; A118-K121 WeakPolarHBondContact O-CG 3.42Å
119T56.9Low74.9Confident122 Ų12280.9 Ų80.975%0.74845%0.45SS*.SBendtrans-58.3-23.9165.741.80000109.5K117K117-T119 PolarHBondContact O-N 2.83Å
120Q75.2Confident75.8Confident56 Ų5676.8 Ų76.826%0.26242%0.421SS..  trans-108.770-176.3-63.5163-2.600111.7A118 I122 V164 L246A118-Q120 PolarHBondContact O-N 2.93Å; Q120-I122 PolarHBondContact O-N 2.78Å; Q120-V164 HydrophobicContact CB-CG1 4.36Å; Q120-V164 HydrophobicContact CB-CG2 4.4Å; Q120-V164 HydrophobicContact CG-CG1 4.21Å; Q120-V164 HydrophobicContact CG-CG2 4.03Å; Q120-L246 HydrophobicContact CB-CD2 4.26Å
121K85.8Confident76.5Confident101 Ų10171.9 Ų71.944%0.43940%0.404SS..  trans-87.789.7172.5-65.7-179.8-174.9-174.90111A118 M149 N150A118-K121 HydrophobicContact CB-CG 3.84Å; A118-K121 WeakPolarHBondContact O-CG 3.42Å; K121-M149 HydrophobicContact CB-CE 3.63Å; K121-M149 HydrophobicContact CB-SD 4.5Å; K121-M149 HydrophobicContact CD-CE 3.81Å; K121-M149 HydrophobicContact CG-CE 4.3Å; K121-M149 VanDerWaalsContact O-CB 3.27Å; K121-M149 WeakPolarHBondContact O-CB 3.32Å; K121-N150 PolarHBondContact O-ND2 2.81Å
122I94.6Very high78.1Confident7 Ų773.4 Ų73.44%0.03640%0.401CS..  trans-103.9117.4177.1-61.3167.4000109.2Q120 N150 N152 F160 V164 Y168 F245 L246Q120-I122 PolarHBondContact O-N 2.78Å; I122-N150 HydrophobicContact CG1-CB 4.22Å; I122-N152 HydrophobicContact CG2-CB 3.99Å; I122-F160 HydrophobicContact CG2-CE2 3.75Å; I122-F160 HydrophobicContact CG2-CZ 3.95Å; I122-V164 HydrophobicContact CD1-CB 3.57Å; I122-V164 HydrophobicContact CD1-CG2 3.58Å; I122-Y168 HydrophobicContact CB-CE1 4.22Å; I122-Y168 HydrophobicContact CD1-CE1 4.49Å; I122-Y168 VanDerWaalsContact CD1-OH 3.23Å; I122-Y168 WeakPolarHBondContact CD1-OH 3.11Å; I122-Y168 HydrophobicContact CG2-CE1 3.85Å; I122-F245 CarbonylContact O-C 3.48Å; I122-F245 VanDerWaalsContact O-CA 3.24Å; I122-F245 WeakPolarHBondContact O-CA 3.47Å; I122-F245 WeakPolarHBondContact O-CB 3.4Å; I122-L246 HydrophobicContact CB-CB 4.08Å; I122-L246 PolarHBondContact O-N 2.95Å
123A97.6Very high79.7Confident26 Ų2669.2 Ų69.222%0.21539%0.39CS..EExtended strand (participates in β ladder)trans-155.2140.1175.900000110.2N148 M149 G244 F245A123-N148 CarbonylContact O-C 3.54Å; A123-N148 WeakPolarHBondContact O-CA 3.29Å; A123-M149 HydrophobicContact CB-SD 4.21Å; A123-M149 PolarHBondContact O-N 3.25Å; A123-G244 CarbonylContact C-O 3.6Å; A123-G244 VanDerWaalsContact CA-O 3.32Å; A123-G244 WeakPolarHBondContact CA-O 3.44Å; A123-F245 HydrophobicContact CB-CB 3.86Å
124F98.7Very high81.7Confident3 Ų365 Ų651%0.01336%0.361CS..EExtended strand (participates in β ladder)trans-138.5153.6169.578.5-81.2000111.6T147 N148 Y153 F160 F170 F242 S243 G244F124-T147 CarbonylContact C-O 3.55Å; F124-T147 WeakPolarHBondContact CA-O 3.23Å; F124-T147 WeakPolarHBondContact CB-O 3.45Å; F124-N148 HydrophobicContact CB-CB 4.48Å; F124-Y153 HydrophobicContact CB-CG 4.31Å; F124-Y153 AromaticContact CD2-CD1 3.95Å; F124-Y153 HydrophobicContact CD2-CD1 3.95Å; F124-Y153 AromaticContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CE2 4.18Å; F124-Y153 AromaticContact CD2-CG 3.39Å; F124-Y153 HydrophobicContact CD2-CG 3.39Å; F124-Y153 AromaticContact CE2-CD2 3.37Å; F124-Y153 HydrophobicContact CE2-CD2 3.37Å; F124-Y153 AromaticContact CE2-CE2 3.78Å; F124-Y153 HydrophobicContact CE2-CE2 3.78Å; F124-Y153 AromaticContact CE2-CG 3.8Å; F124-Y153 HydrophobicContact CE2-CG 3.8Å; F124-Y153 VanDerWaalsContact CG-CB 3.47Å; F124-Y153 HydrophobicContact CG-CD2 4.17Å; F124-Y153 AromaticContact CG-CG 3.84Å; F124-Y153 HydrophobicContact CG-CG 3.84Å; F124-Y153 AromaticContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CE2 4.49Å; F124-F160 AromaticContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CE2 4.07Å; F124-F160 HydrophobicContact CD1-CG 4.48Å; F124-F160 HydrophobicContact CE1-CB 4Å; F124-F160 AromaticContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CD2 3.44Å; F124-F160 VanDerWaalsContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CE2 4.19Å; F124-F160 AromaticContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CZ-CB 4.25Å; F124-F160 HydrophobicContact CZ-CD2 4.45Å; F124-F170 HydrophobicContact CE1-CD1 4.15Å; F124-F170 AromaticContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CZ-CD1 4.25Å; F124-F170 HydrophobicContact CZ-CE1 4.34Å; F124-F242 AromaticContact CE2-CD1 3.68Å; F124-F242 HydrophobicContact CE2-CD1 3.68Å; F124-F242 AromaticContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CG 4.1Å; F124-F242 WeakPolarHBondContact CE2-O 3.48Å; F124-F242 AromaticContact CZ-CD1 3.84Å; F124-F242 HydrophobicContact CZ-CD1 3.84Å; F124-F242 AromaticContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE2 4.37Å; F124-F242 HydrophobicContact CZ-CG 4.31Å; F124-F242 AromaticContact CZ-CZ 3.9Å; F124-F242 HydrophobicContact CZ-CZ 3.9Å; F124-S243 CarbonylContact O-C 3.57Å; F124-S243 WeakPolarHBondContact O-CA 3.37Å; F124-S243 WeakPolarHBondContact O-CB 3.4Å; F124-G244 VanDerWaalsContact CD1-O 3.32Å; F124-G244 WeakPolarHBondContact CD1-O 3.31Å; F124-G244 VanDerWaalsContact CE1-N 3.29Å; F124-G244 PolarHBondContact N-O 3.29Å; F124-G244 PolarHBondContact O-N 3.07Å
125S98.8Very high83.7Confident31 Ų3171.2 Ų71.222%0.21736%0.362CS..EExtended strand (participates in β ladder)trans-144.2123.5167.8-77.30000107.4I146 T147 F242 S243S125-I146 WeakPolarHBondContact O-CA 3.47Å; S125-I146 WeakPolarHBondContact O-CB 3.32Å; S125-I146 PolarHBondContact O-N 3.02Å; S125-T147 PolarHBondContact N-O 3.38Å; S125-T147 PolarHBondContact O-N 2.82Å; S125-T147 VanDerWaalsContact O-N 3.1Å; S125-F242 WeakPolarHBondContact CA-O 3.07Å; S125-S243 WeakPolarHBondContact CB-OG 3.36Å; S125-S243 PolarHBondContact OG-OG 2.92Å
126A98.7Very high85.9Confident0 Ų072.4 Ų72.40%036%0.358CS..EExtended strand (participates in β ladder)trans-135.2136.3178.700000110.7F142 H144 Y153 I241 F242A126-F142 HydrophobicContact CB-CB 3.78Å; A126-F142 WeakPolarHBondContact O-CB 3.25Å; A126-F142 WeakPolarHBondContact O-CD1 3.31Å; A126-H144 CarbonylContact C-O 3.51Å; A126-H144 VanDerWaalsContact CA-O 3.26Å; A126-H144 WeakPolarHBondContact CA-O 3.47Å; A126-Y153 HydrophobicContact CB-CD1 3.98Å; A126-Y153 HydrophobicContact CB-CE1 3.34Å; A126-I241 CarbonylContact O-C 3.57Å; A126-I241 WeakPolarHBondContact O-CA 3.43Å; A126-F242 PolarHBondContact N-O 2.96Å; A126-F242 PolarHBondContact O-N 2.69Å
127T98.5Very high88.1Confident13 Ų1367.8 Ų67.88%0.0835%0.345CS..EExtended strand (participates in β ladder)trans-98.6153.4174.848.90000111.1F142 D143 H144 I146 S240 I241T127-F142 CarbonylContact O-C 3.6Å; T127-F142 VanDerWaalsContact O-C 3.31Å; T127-F142 WeakPolarHBondContact O-CA 3.4Å; T127-D143 PolarHBondContact O-N 3.42Å; T127-D143 VanDerWaalsContact O-N 3.09Å; T127-H144 PolarHBondContact N-O 3.02Å; T127-H144 PolarHBondContact O-N 3.23Å; T127-H144 PolarHBondContact OG1-ND1 2.77Å; T127-H144 PolarHBondContact OG1-O 2.69Å; T127-I146 HydrophobicContact CG2-CD1 3.72Å; T127-I146 HydrophobicContact CG2-CG1 4.48Å; T127-S240 CarbonylContact C-O 3.5Å; T127-S240 WeakPolarHBondContact CA-O 3.4Å; T127-I241 HydrophobicContact CG2-CB 3.97Å; T127-I241 HydrophobicContact CG2-CD1 4.3Å; T127-I241 HydrophobicContact CG2-CG1 4.07Å
128R97.8Very high90.5Very high8 Ų862.2 Ų62.23%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-93.9126.2171.2178.3176.6177.679.3-0.6109.1I130 V132 R141 F142 D143 G234 S240R128-I130 PolarHBondContact NE-O 3.11Å; R128-I130 PolarHBondContact NH2-O 3.11Å; R128-V132 PolarHBondContact NH2-O 2.92Å; R128-R141 PolarHBondContact NH1-O 3.45Å; R128-F142 HydrophobicContact CB-CD1 3.83Å; R128-F142 HydrophobicContact CB-CE1 4.29Å; R128-F142 HydrophobicContact CB-CG 4.34Å; R128-D143 WeakPolarHBondContact CA-OD1 3.16Å; R128-G234 CarbonylContact O-C 3.51Å; R128-G234 WeakPolarHBondContact O-CA 3.16Å; R128-S240 PolarHBondContact N-O 3.09Å
129T96.2Very high92.8Very high71 Ų7162.9 Ų62.944%0.43632%0.324SS..  trans-114.5-9.1171.472.90000112.5N131 D143 H144 G234T129-N131 PolarHBondContact O-ND2 2.84Å; T129-D143 PolarHBondContact N-OD1 2.95Å; T129-D143 PolarHBondContact OG1-OD2 2.59Å; T129-H144 HydrophobicContact CG2-CB 3.82Å; T129-G234 CarbonylContact C-O 3.58Å
130I93.3Very high94.8Very high44 Ų4457.2 Ų57.223%0.22629%0.289CS..  trans-77.3126.4177.2-59.9160.9000110.7R128 V132 R141 D143R128-I130 PolarHBondContact NE-O 3.11Å; R128-I130 PolarHBondContact NH2-O 3.11Å; I130-V132 HydrophobicContact CG2-CB 3.88Å; I130-V132 HydrophobicContact CG2-CG2 3.7Å; I130-R141 HydrophobicContact CD1-CG 4.39Å; I130-D143 HydrophobicContact CD1-CB 3.62Å; I130-D143 WeakPolarHBondContact CD1-OD1 3.47Å; I130-D143 HydrophobicContact CG1-CB 4.27Å; I130-D143 WeakPolarHBondContact CG1-OD1 3.48Å; I130-D143 PolarHBondContact N-OD1 2.83Å
131N86.6Confident95.9Very high99 Ų9959 Ų5953%0.52929%0.294SS..  trans-10619.8178.1-68.9-59.8000114T129 G234T129-N131 PolarHBondContact O-ND2 2.84Å; N131-G234 PolarHBondContact ND2-O 2.97Å; N131-G234 PolarHBondContact OD1-N 3.44Å; N131-G234 PolarHBondContact OD1-O 3.35Å
132V92.6Very high96.5Very high94 Ų9454.3 Ų54.357%0.5727%0.273SS*.PPolyproline II helixtrans-67.3130.9172.7179.50000109.6R128 I130 L134R128-V132 PolarHBondContact NH2-O 2.92Å; I130-V132 HydrophobicContact CG2-CB 3.88Å; I130-V132 HydrophobicContact CG2-CG2 3.7Å; V132-L134 PolarHBondContact O-N 3.44Å
133P92.7Very high96.7Very high105 Ų10555.8 Ų55.868%0.68228%0.281SS*.PPolyproline II helixtrans-56.2132.6176-25.634.3000112
134L96.6Very high96.7Very high7 Ų759.2 Ų59.24%0.03729%0.293CS..PPolyproline II helixtrans-84.3138.8179.8-68.7162.9000110.6V132 I140 A226 N230 L232V132-L134 PolarHBondContact O-N 3.44Å; L134-I140 HydrophobicContact CD1-CD1 4.25Å; L134-I140 HydrophobicContact CD1-CG1 4Å; L134-I140 HydrophobicContact CD1-CG2 4.22Å; L134-I140 HydrophobicContact CD2-CG1 4.49Å; L134-A226 HydrophobicContact CB-CB 3.75Å; L134-A226 HydrophobicContact CD1-CB 4.18Å; L134-A226 HydrophobicContact CG-CB 4.4Å; L134-N230 HydrophobicContact CB-CB 4.32Å; L134-N230 PolarHBondContact O-ND2 2.72Å; L134-L232 HydrophobicContact CD1-CB 4.1Å; L134-L232 HydrophobicContact CD1-CD2 3.66Å
135R97.6Very high96.7Very high200 Ų20061.7 Ų61.776%0.75531%0.307SS*.PPolyproline II helixtrans-91.2158.8171.1-63-177-179.5129.5-0.3110.6D137 Q138 A226R135-D137 PolarHBondContact O-N 2.86Å; R135-Q138 HydrophobicContact CB-CB 4.43Å; R135-Q138 WeakPolarHBondContact O-CB 3.19Å; R135-Q138 PolarHBondContact O-N 3.44Å; R135-A226 WeakPolarHBondContact O-CB 3.42Å
136R97.8Very high96.6Very high142 Ų14265 Ų6554%0.53632%0.322SS..THydrogen-bonded Turntrans-53.3139.8170.5-164.1-165.7-170.4-96.63.5110.3Q138 D228R136-Q138 PolarHBondContact O-N 3.43Å; R136-Q138 VanDerWaalsContact O-N 3.07Å; R136-D228 WeakPolarHBondContact CB-OD1 3.33Å; R136-D228 WeakPolarHBondContact CD-OD1 3.22Å; R136-D228 WeakPolarHBondContact CG-OD1 3.37Å; R136-D228 IonicContact NE-OD1 3.33Å; R136-D228 IonicContact NE-OD2 3.23Å; R136-D228 PolarHBondContact NE-OD2 2.82Å
137D97.4Very high96.6Very high77 Ų7767.8 Ų67.841%0.41234%0.339SS..THydrogen-bonded Turntrans65.93.2178.8-48.7-52.8000115.2R135 Q225 A226R135-D137 PolarHBondContact O-N 2.86Å; D137-Q225 WeakPolarHBondContact O-CG 3.38Å; D137-Q225 PolarHBondContact O-NE2 2.86Å; D137-A226 PolarHBondContact N-O 3.47Å
138Q97.9Very high96.6Very high80 Ų8068.5 Ų68.537%0.37434%0.342SS..  trans-74.3135.3174.7-171.3179.6-400111R135 R136 I140 Q225 A226R135-Q138 HydrophobicContact CB-CB 4.43Å; R135-Q138 WeakPolarHBondContact O-CB 3.19Å; R135-Q138 PolarHBondContact O-N 3.44Å; R136-Q138 PolarHBondContact O-N 3.43Å; R136-Q138 VanDerWaalsContact O-N 3.07Å; Q138-I140 PolarHBondContact O-N 3.19Å; Q138-Q225 WeakPolarHBondContact O-CA 3.36Å; Q138-A226 PolarHBondContact O-N 3.1Å
139T98.1Very high96.4Very high35 Ų3572.2 Ų72.222%0.21536%0.361CS..BIsolated β-bridgetrans-63.5129.9169.5-580000110.5R141 S157 K159 F223T139-R141 PolarHBondContact O-N 2.85Å; T139-S157 WeakPolarHBondContact CG2-O 3.44Å; T139-K159 HydrophobicContact CG2-CG 4.32Å; T139-F223 HydrophobicContact CG2-CB 4.1Å; T139-F223 HydrophobicContact CG2-CD2 3.68Å; T139-F223 HydrophobicContact CG2-CE2 4.42Å; T139-F223 HydrophobicContact CG2-CG 4.12Å
140I98.4Very high96.3Very high2 Ų272.8 Ų72.81%0.0136%0.362CS..  trans-80.4115.1177.2-54.1-178.8000108.2L134 Q138 F142 V182 L224 A226 L232L134-I140 HydrophobicContact CD1-CD1 4.25Å; L134-I140 HydrophobicContact CD1-CG1 4Å; L134-I140 HydrophobicContact CD1-CG2 4.22Å; L134-I140 HydrophobicContact CD2-CG1 4.49Å; Q138-I140 PolarHBondContact O-N 3.19Å; I140-F142 HydrophobicContact CB-CE2 4.11Å; I140-F142 HydrophobicContact CG2-CD2 4.3Å; I140-F142 HydrophobicContact CG2-CE2 3.58Å; I140-F142 HydrophobicContact CG2-CZ 3.9Å; I140-V182 HydrophobicContact CD1-CG1 3.91Å; I140-V182 HydrophobicContact CD1-CG2 4.14Å; I140-L224 HydrophobicContact CB-CB 4.19Å; I140-L224 HydrophobicContact CD1-CB 4.18Å; I140-L224 HydrophobicContact CG1-CB 4.43Å; I140-L224 PolarHBondContact N-O 2.88Å; I140-A226 HydrophobicContact CD1-CB 4.24Å; I140-A226 HydrophobicContact CG1-CB 4Å; I140-L232 HydrophobicContact CD1-CD2 4.37Å; I140-L232 HydrophobicContact CG2-CD2 3.58Å
141R98.2Very high96.4Very high95 Ų9576.4 Ų76.436%0.35838%0.381SS..  trans-87.6125.5178.6-172.3-177.8167.5-171.7-9.6110.8R128 I130 T139 D143 P155 R156R128-R141 PolarHBondContact NH1-O 3.45Å; I130-R141 HydrophobicContact CD1-CG 4.39Å; T139-R141 PolarHBondContact O-N 2.85Å; R141-D143 HydrophobicContact CG-CB 4.3Å; R141-P155 WeakPolarHBondContact CD-O 3.42Å; R141-P155 WeakPolarHBondContact CG-O 3.25Å; R141-P155 PolarHBondContact NE-O 2.87Å; R141-R156 VanDerWaalsContact CD-O 3.3Å; R141-R156 WeakPolarHBondContact CD-O 3.47Å; R141-R156 PolarHBondContact NE-O 3.2Å
142F98.4Very high97Very high2 Ų271.9 Ų71.91%0.00936%0.357CS..  trans-107.199.2165.4-55.8-107.3000107.4A126 T127 R128 I140 Y153 L224 F242A126-F142 HydrophobicContact CB-CB 3.78Å; A126-F142 WeakPolarHBondContact O-CB 3.25Å; A126-F142 WeakPolarHBondContact O-CD1 3.31Å; T127-F142 CarbonylContact O-C 3.6Å; T127-F142 VanDerWaalsContact O-C 3.31Å; T127-F142 WeakPolarHBondContact O-CA 3.4Å; R128-F142 HydrophobicContact CB-CD1 3.83Å; R128-F142 HydrophobicContact CB-CE1 4.29Å; R128-F142 HydrophobicContact CB-CG 4.34Å; I140-F142 HydrophobicContact CB-CE2 4.11Å; I140-F142 HydrophobicContact CG2-CD2 4.3Å; I140-F142 HydrophobicContact CG2-CE2 3.58Å; I140-F142 HydrophobicContact CG2-CZ 3.9Å; F142-Y153 WeakPolarHBondContact CA-OH 3.47Å; F142-Y153 VanDerWaalsContact CB-OH 3.28Å; F142-Y153 WeakPolarHBondContact CB-OH 3.46Å; F142-Y153 PolarHBondContact N-OH 3.42Å; F142-Y153 WeakPolarHBondContact O-CE1 3.22Å; F142-Y153 PolarHBondContact O-OH 3.46Å; F142-L224 HydrophobicContact CE2-CB 4.42Å; F142-L224 HydrophobicContact CE2-CD1 3.78Å; F142-L224 HydrophobicContact CE2-CG 4.49Å; F142-L224 HydrophobicContact CZ-CD1 3.75Å; F142-F242 HydrophobicContact CD1-CB 3.88Å; F142-F242 HydrophobicContact CD2-CB 3.66Å; F142-F242 HydrophobicContact CD2-CD1 4.27Å; F142-F242 HydrophobicContact CD2-CG 4.38Å; F142-F242 HydrophobicContact CE1-CB 3.83Å; F142-F242 HydrophobicContact CE2-CB 3.63Å; F142-F242 HydrophobicContact CE2-CD1 4.39Å; F142-F242 HydrophobicContact CE2-CG 4.26Å; F142-F242 HydrophobicContact CG-CB 3.82Å; F142-F242 HydrophobicContact CZ-CB 3.72Å
143D97.9Very high97.3Very high37 Ų3767.7 Ų67.720%0.19833%0.331CS..  trans-88.4-21.1-162.757.2-74.1000114.1T127 R128 T129 I130 R141T127-D143 PolarHBondContact O-N 3.42Å; T127-D143 VanDerWaalsContact O-N 3.09Å; R128-D143 WeakPolarHBondContact CA-OD1 3.16Å; T129-D143 PolarHBondContact N-OD1 2.95Å; T129-D143 PolarHBondContact OG1-OD2 2.59Å; I130-D143 HydrophobicContact CD1-CB 3.62Å; I130-D143 WeakPolarHBondContact CD1-OD1 3.47Å; I130-D143 HydrophobicContact CG1-CB 4.27Å; I130-D143 WeakPolarHBondContact CG1-OD1 3.48Å; I130-D143 PolarHBondContact N-OD1 2.83Å; R141-D143 HydrophobicContact CG-CB 4.3Å
144H98.1Very high97.5Very high99 Ų9966.9 Ų66.946%0.45832%0.318SS..EExtended strand (participates in β ladder)trans-102107.1-177.9-178-83.6000110.4A126 T127 T129A126-H144 CarbonylContact C-O 3.51Å; A126-H144 VanDerWaalsContact CA-O 3.26Å; A126-H144 WeakPolarHBondContact CA-O 3.47Å; T127-H144 PolarHBondContact N-O 3.02Å; T127-H144 PolarHBondContact O-N 3.23Å; T127-H144 PolarHBondContact OG1-ND1 2.77Å; T127-H144 PolarHBondContact OG1-O 2.69Å; T129-H144 HydrophobicContact CG2-CB 3.82Å
145V98.6Very high97.6Very high54 Ų5467.9 Ų67.933%0.32733%0.325SS..EExtended strand (participates in β ladder)trans-78.9126.4-178.9176.90000110.3N148 P155V145-N148 HydrophobicContact CG1-CB 3.6Å; V145-P155 HydrophobicContact CG2-CB 3.73Å; V145-P155 HydrophobicContact CG2-CG 3.81Å
146I98.1Very high97.6Very high100 Ų10068 Ų6851%0.51333%0.326SS..EExtended strand (participates in β ladder)trans-90.5-50167.8-58.7175.2000109.1S125 T127 I241S125-I146 WeakPolarHBondContact O-CA 3.47Å; S125-I146 WeakPolarHBondContact O-CB 3.32Å; S125-I146 PolarHBondContact O-N 3.02Å; T127-I146 HydrophobicContact CG2-CD1 3.72Å; T127-I146 HydrophobicContact CG2-CG1 4.48Å; I146-I241 HydrophobicContact CD1-CD1 4.03Å
147T98.3Very high97.6Very high60 Ų6063.3 Ų63.337%0.36832%0.315SS..EExtended strand (participates in β ladder)trans-139141.5178.9-56.60000109F124 S125 M149F124-T147 CarbonylContact C-O 3.55Å; F124-T147 WeakPolarHBondContact CA-O 3.23Å; F124-T147 WeakPolarHBondContact CB-O 3.45Å; S125-T147 PolarHBondContact N-O 3.38Å; S125-T147 PolarHBondContact O-N 2.82Å; S125-T147 VanDerWaalsContact O-N 3.1Å; T147-M149 HydrophobicContact CG2-CG 3.87Å
148N97.7Very high97.6Very high28 Ų2859.7 Ų59.715%0.1530%0.295CS..EExtended strand (participates in β ladder)trans-15568.3173.4-16811.4000111.1A123 F124 V145 N150 N151 N152 Y153A123-N148 CarbonylContact O-C 3.54Å; A123-N148 WeakPolarHBondContact O-CA 3.29Å; F124-N148 HydrophobicContact CB-CB 4.48Å; V145-N148 HydrophobicContact CG1-CB 3.6Å; N148-N150 PolarHBondContact O-N 2.76Å; N148-N151 PolarHBondContact O-N 2.92Å; N148-N151 WeakPolarHBondContact OD1-CA 3.35Å; N148-N152 PolarHBondContact OD1-N 2.77Å; N148-Y153 PolarHBondContact ND2-O 2.84Å; N148-Y153 PolarHBondContact OD1-N 2.95Å
149M94.8Very high97.6Very high85 Ų8559.1 Ų59.142%0.41929%0.292SS..EExtended strand (participates in β ladder)trans-64.8129.5179-56.9-179.77500109.8K121 A123 T147 N151K121-M149 HydrophobicContact CB-CE 3.63Å; K121-M149 HydrophobicContact CB-SD 4.5Å; K121-M149 HydrophobicContact CD-CE 3.81Å; K121-M149 HydrophobicContact CG-CE 4.3Å; K121-M149 VanDerWaalsContact O-CB 3.27Å; K121-M149 WeakPolarHBondContact O-CB 3.32Å; A123-M149 HydrophobicContact CB-SD 4.21Å; A123-M149 PolarHBondContact O-N 3.25Å; T147-M149 HydrophobicContact CG2-CG 3.87Å; M149-N151 PolarHBondContact O-N 2.97Å
150N92.5Very high97.7Very high84 Ų8457.4 Ų57.445%0.44928%0.281SS..THydrogen-bonded Turntrans64.211.2-175.3-68.6-53.9000116.4K121 I122 N148 N152 K163K121-N150 PolarHBondContact O-ND2 2.81Å; I122-N150 HydrophobicContact CG1-CB 4.22Å; N148-N150 PolarHBondContact O-N 2.76Å; N150-N152 PolarHBondContact O-N 2.6Å; N150-N152 PolarHBondContact O-OD1 3.1Å; N150-K163 PolarHBondContact O-NZ 3.41Å
151N96.8Very high97.7Very high119 Ų11959.7 Ų59.764%0.63630%0.296SS*.THydrogen-bonded Turntrans52.548.1170.2-58-55.1000113.4N148 M149 K163N148-N151 PolarHBondContact O-N 2.92Å; N148-N151 WeakPolarHBondContact OD1-CA 3.35Å; M149-N151 PolarHBondContact O-N 2.97Å; N151-K163 PolarHBondContact O-NZ 2.71Å
152N97.9Very high97.6Very high5 Ų555.3 Ų55.33%0.02728%0.279CS..  trans-89.8-18.8177.3-76.259.6000112.5I122 N148 N150 F160 T161 K163I122-N152 HydrophobicContact CG2-CB 3.99Å; N148-N152 PolarHBondContact OD1-N 2.77Å; N150-N152 PolarHBondContact O-N 2.6Å; N150-N152 PolarHBondContact O-OD1 3.1Å; N152-F160 HydrophobicContact CB-CD2 3.78Å; N152-F160 HydrophobicContact CB-CE2 3.32Å; N152-F160 HydrophobicContact CB-CZ 3.94Å; N152-F160 CarbonylContact O-C 3.49Å; N152-F160 WeakPolarHBondContact O-CA 3.37Å; N152-T161 PolarHBondContact ND2-O 3.32Å; N152-T161 PolarHBondContact O-N 3.19Å; N152-K163 WeakPolarHBondContact ND2-CB 3.39Å; N152-K163 WeakPolarHBondContact ND2-CG 3.06Å; N152-K163 PolarHBondContact ND2-N 3.23Å
153Y98.7Very high97.4Very high5 Ų559.9 Ų59.92%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-97.6130.1174.6179.4-101.3000111.1F124 A126 F142 N148 P155 G158 F160 F242F124-Y153 HydrophobicContact CB-CG 4.31Å; F124-Y153 AromaticContact CD2-CD1 3.95Å; F124-Y153 HydrophobicContact CD2-CD1 3.95Å; F124-Y153 AromaticContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CD2 3.51Å; F124-Y153 HydrophobicContact CD2-CE2 4.18Å; F124-Y153 AromaticContact CD2-CG 3.39Å; F124-Y153 HydrophobicContact CD2-CG 3.39Å; F124-Y153 AromaticContact CE2-CD2 3.37Å; F124-Y153 HydrophobicContact CE2-CD2 3.37Å; F124-Y153 AromaticContact CE2-CE2 3.78Å; F124-Y153 HydrophobicContact CE2-CE2 3.78Å; F124-Y153 AromaticContact CE2-CG 3.8Å; F124-Y153 HydrophobicContact CE2-CG 3.8Å; F124-Y153 VanDerWaalsContact CG-CB 3.47Å; F124-Y153 HydrophobicContact CG-CD2 4.17Å; F124-Y153 AromaticContact CG-CG 3.84Å; F124-Y153 HydrophobicContact CG-CG 3.84Å; F124-Y153 AromaticContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CD2 3.92Å; F124-Y153 HydrophobicContact CZ-CE2 4.49Å; A126-Y153 HydrophobicContact CB-CD1 3.98Å; A126-Y153 HydrophobicContact CB-CE1 3.34Å; F142-Y153 WeakPolarHBondContact CA-OH 3.47Å; F142-Y153 VanDerWaalsContact CB-OH 3.28Å; F142-Y153 WeakPolarHBondContact CB-OH 3.46Å; F142-Y153 PolarHBondContact N-OH 3.42Å; F142-Y153 WeakPolarHBondContact O-CE1 3.22Å; F142-Y153 PolarHBondContact O-OH 3.46Å; N148-Y153 PolarHBondContact ND2-O 2.84Å; N148-Y153 PolarHBondContact OD1-N 2.95Å; Y153-P155 HydrophobicContact CD1-CB 4.48Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 WeakPolarHBondContact O-CD 3.38Å; Y153-G158 WeakPolarHBondContact OH-CA 3.37Å; Y153-F160 HydrophobicContact CD2-CB 4.41Å; Y153-F242 HydrophobicContact CE2-CD1 4.08Å; Y153-F242 HydrophobicContact CE2-CE1 4.4Å
154E98.4Very high97.2Very high88 Ų8859.2 Ų59.241%0.41130%0.296SS..EExtended strand (participates in β ladder)trans-104.599.9178.7175.749.7-107.900110.2R156 S157 G158 K159E154-R156 PolarHBondContact O-N 3.2Å; E154-R156 VanDerWaalsContact OE1-CB 3.26Å; E154-R156 WeakPolarHBondContact OE1-CB 3.46Å; E154-R156 WeakPolarHBondContact OE1-CG 3.48Å; E154-R156 PolarHBondContact OE1-N 2.9Å; E154-S157 WeakPolarHBondContact CB-OG 3.4Å; E154-S157 WeakPolarHBondContact CG-OG 3.42Å; E154-S157 PolarHBondContact O-N 2.84Å; E154-S157 VanDerWaalsContact O-N 3.08Å; E154-S157 PolarHBondContact O-OG 3.33Å; E154-G158 PolarHBondContact O-N 2.84Å; E154-K159 PolarHBondContact N-O 2.88Å
155P98.1Very high97.1Very high29 Ų2955.6 Ų55.619%0.18828%0.282CS..THydrogen-bonded Turntrans-67.1-18.1-173.528-36.4000113.7R141 V145 Y153R141-P155 WeakPolarHBondContact CD-O 3.42Å; R141-P155 WeakPolarHBondContact CG-O 3.25Å; R141-P155 PolarHBondContact NE-O 2.87Å; V145-P155 HydrophobicContact CG2-CB 3.73Å; V145-P155 HydrophobicContact CG2-CG 3.81Å; Y153-P155 HydrophobicContact CD1-CB 4.48Å; Y153-P155 HydrophobicContact CE1-CB 3.97Å; Y153-P155 WeakPolarHBondContact O-CD 3.38Å
156R97.4Very high96.9Very high201 Ų20153 Ų5376%0.75827%0.266SS*.THydrogen-bonded Turntrans-74.4-31.3174.3-62.7179.6-175.6-104.7-0.4112.3R141 E154R141-R156 VanDerWaalsContact CD-O 3.3Å; R141-R156 WeakPolarHBondContact CD-O 3.47Å; R141-R156 PolarHBondContact NE-O 3.2Å; E154-R156 PolarHBondContact O-N 3.2Å; E154-R156 VanDerWaalsContact OE1-CB 3.26Å; E154-R156 WeakPolarHBondContact OE1-CB 3.46Å; E154-R156 WeakPolarHBondContact OE1-CG 3.48Å; E154-R156 PolarHBondContact OE1-N 2.9Å
157S97.4Very high96.8Very high45 Ų4551.2 Ų51.232%0.31526%0.257SS..THydrogen-bonded Turntrans-101.2-24.7-177.773.40000113.5T139 E154 K159T139-S157 WeakPolarHBondContact CG2-O 3.44Å; E154-S157 WeakPolarHBondContact CB-OG 3.4Å; E154-S157 WeakPolarHBondContact CG-OG 3.42Å; E154-S157 PolarHBondContact O-N 2.84Å; E154-S157 VanDerWaalsContact O-N 3.08Å; E154-S157 PolarHBondContact O-OG 3.33Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 WeakPolarHBondContact OG-CB 3.45Å; S157-K159 PolarHBondContact OG-N 2.87Å
158G98.1Very high96.8Very high0 Ų048.4 Ų48.40%024%0.24CC..THydrogen-bonded Turntrans8013.5-172.100000114Y153 E154 F223Y153-G158 WeakPolarHBondContact OH-CA 3.37Å; E154-G158 PolarHBondContact O-N 2.84Å; G158-F223 WeakPolarHBondContact O-CB 3.45Å
159K98.6Very high96.8Very high68 Ų6850.7 Ų50.730%0.29625%0.247SC..EExtended strand (participates in β ladder)trans-108.7136.4-175-57.7-174.9175.8179.70111.7T139 E154 S157 F223T139-K159 HydrophobicContact CG2-CG 4.32Å; E154-K159 PolarHBondContact N-O 2.88Å; S157-K159 VanDerWaalsContact C-N 3.33Å; S157-K159 WeakPolarHBondContact OG-CB 3.45Å; S157-K159 PolarHBondContact OG-N 2.87Å; K159-F223 HydrophobicContact CB-CB 4.37Å; K159-F223 HydrophobicContact CD-CD1 4.08Å; K159-F223 HydrophobicContact CD-CE1 4.41Å; K159-F223 HydrophobicContact CG-CB 3.91Å; K159-F223 HydrophobicContact CG-CD1 3.93Å; K159-F223 HydrophobicContact CG-CG 4.01Å
160F98.8Very high97Very high0 Ų046.7 Ų46.70%023%0.227CC..EExtended strand (participates in β ladder)trans-89.1135.1161174-88.9000108.9I122 F124 N152 Y153 C162 Y168 F170 L216 N221 V222I122-F160 HydrophobicContact CG2-CE2 3.75Å; I122-F160 HydrophobicContact CG2-CZ 3.95Å; F124-F160 AromaticContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CD2 3.54Å; F124-F160 HydrophobicContact CD1-CE2 4.07Å; F124-F160 HydrophobicContact CD1-CG 4.48Å; F124-F160 HydrophobicContact CE1-CB 4Å; F124-F160 AromaticContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CD2 3.44Å; F124-F160 VanDerWaalsContact CE1-CD2 3.44Å; F124-F160 HydrophobicContact CE1-CE2 4.19Å; F124-F160 AromaticContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CE1-CG 3.97Å; F124-F160 HydrophobicContact CZ-CB 4.25Å; F124-F160 HydrophobicContact CZ-CD2 4.45Å; N152-F160 HydrophobicContact CB-CD2 3.78Å; N152-F160 HydrophobicContact CB-CE2 3.32Å; N152-F160 HydrophobicContact CB-CZ 3.94Å; N152-F160 CarbonylContact O-C 3.49Å; N152-F160 WeakPolarHBondContact O-CA 3.37Å; Y153-F160 HydrophobicContact CD2-CB 4.41Å; F160-C162 HydrophobicContact CE1-CB 4.19Å; F160-Y168 HydrophobicContact CE1-CD1 4.32Å; F160-Y168 HydrophobicContact CE1-CE1 4.18Å; F160-Y168 HydrophobicContact CE2-CE1 4.38Å; F160-Y168 AromaticContact CZ-CD1 3.87Å; F160-Y168 HydrophobicContact CZ-CD1 3.87Å; F160-Y168 AromaticContact CZ-CE1 3.49Å; F160-Y168 HydrophobicContact CZ-CE1 3.49Å; F160-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F160-F170 HydrophobicContact CB-CE1 4.1Å; F160-F170 AromaticContact CD1-CE1 3.78Å; F160-F170 HydrophobicContact CD1-CE1 3.78Å; F160-F170 AromaticContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD2-CE1 4.31Å; F160-F170 HydrophobicContact CE1-CE1 4.28Å; F160-F170 AromaticContact CE1-CZ 3.82Å; F160-F170 HydrophobicContact CE1-CZ 3.82Å; F160-F170 AromaticContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CZ 4.15Å; F160-F170 HydrophobicContact CZ-CZ 4.46Å; F160-L216 HydrophobicContact CD1-CD1 4.27Å; F160-L216 HydrophobicContact CE1-CD1 3.82Å; F160-N221 CarbonylContact O-C 3.57Å; F160-N221 WeakPolarHBondContact O-CA 3.48Å; F160-V222 HydrophobicContact CD1-CB 4.45Å; F160-V222 PolarHBondContact N-O 2.84Å; F160-V222 PolarHBondContact O-N 2.95Å
161T98.4Very high97.3Very high50 Ų5043.7 Ų43.731%0.30721%0.212SC..EExtended strand (participates in β ladder)trans-119.6124.9173.5-560000109.6N152 K163 E220 N221N152-T161 PolarHBondContact ND2-O 3.32Å; N152-T161 PolarHBondContact O-N 3.19Å; T161-K163 PolarHBondContact O-N 3.33Å; T161-E220 WeakPolarHBondContact CA-O 3.49Å; T161-N221 PolarHBondContact OG1-OD1 3.4Å
162C97.6Very high97.4Very high2 Ų238.3 Ų38.31%0.01418%0.183CC..  trans-68.5126.1179.8-176.30000110.9F160 V164 L216 E217 G219 E220F160-C162 HydrophobicContact CE1-CB 4.19Å; C162-V164 VanDerWaalsContact SG-C 3.58Å; C162-V164 PolarHBondContact SG-O 3.26Å; C162-L216 HydrophobicContact CB-CB 4.05Å; C162-L216 HydrophobicContact CB-CD1 4.18Å; C162-E217 VanDerWaalsContact CB-O 3.31Å; C162-E217 WeakPolarHBondContact CB-O 3.47Å; C162-G219 PolarHBondContact O-N 2.8Å; C162-E220 PolarHBondContact N-O 3.09Å
163K94.4Very high97.5Very high98 Ų9842 Ų4243%0.42620%0.2SC..SBendtrans-107.8-30.8172.2-64.8178.2-168.6166.20112.3N150 N151 N152 T161 Q218N150-K163 PolarHBondContact O-NZ 3.41Å; N151-K163 PolarHBondContact O-NZ 2.71Å; N152-K163 WeakPolarHBondContact ND2-CB 3.39Å; N152-K163 WeakPolarHBondContact ND2-CG 3.06Å; N152-K163 PolarHBondContact ND2-N 3.23Å; T161-K163 PolarHBondContact O-N 3.33Å; K163-Q218 PolarHBondContact O-NE2 3.49Å
164V93.6Very high97.4Very high23 Ų2341.8 Ų41.814%0.13920%0.199CC..SBendtrans-116.7113.2178.6175.80000107.7Q120 I122 C162 Y168 L246 P249Q120-V164 HydrophobicContact CB-CG1 4.36Å; Q120-V164 HydrophobicContact CB-CG2 4.4Å; Q120-V164 HydrophobicContact CG-CG1 4.21Å; Q120-V164 HydrophobicContact CG-CG2 4.03Å; I122-V164 HydrophobicContact CD1-CB 3.57Å; I122-V164 HydrophobicContact CD1-CG2 3.58Å; C162-V164 VanDerWaalsContact SG-C 3.58Å; C162-V164 PolarHBondContact SG-O 3.26Å; V164-Y168 WeakPolarHBondContact O-CE2 3.27Å; V164-Y168 PolarHBondContact O-OH 2.9Å; V164-L246 HydrophobicContact CG1-CD2 4.26Å; V164-P249 HydrophobicContact CG1-CB 4.02Å
165P94.8Very high97.4Very high23 Ų2338.3 Ų38.315%0.14918%0.184CC..  trans-56.5145.7175.5-23.133.2000112.1L216 Q218 D250P165-L216 WeakPolarHBondContact CA-O 3.26Å; P165-Q218 HydrophobicContact CG-CB 4.08Å; P165-D250 HydrophobicContact CB-CB 4.34Å; P165-D250 WeakPolarHBondContact CB-OD2 3.36Å; P165-D250 PolarHBondContact O-N 3.4Å
166G94.1Very high97.4Very high0 Ų037 Ų370%018%0.175CC..EExtended strand (participates in β ladder)trans153.4-165.9177.200000114.1Y168 K215 L216 F248 D250G166-Y168 WeakPolarHBondContact O-CD2 3.32Å; G166-K215 WeakPolarHBondContact O-CA 3.32Å; G166-L216 PolarHBondContact N-O 3.05Å; G166-L216 VanDerWaalsContact N-O 3.11Å; G166-L216 PolarHBondContact O-N 3.07Å; G166-F248 WeakPolarHBondContact CA-O 3.42Å; G166-D250 PolarHBondContact N-OD2 3.03Å
167L96.4Very high97.3Very high63 Ų6335.5 Ų35.533%0.3317%0.17SC..EExtended strand (participates in β ladder)trans-91.2125.9178.5-73.8167.5000110.6V213 K215 L247 F248L167-V213 HydrophobicContact CD2-CG1 4.22Å; L167-K215 HydrophobicContact CD2-CB 3.79Å; L167-K215 HydrophobicContact CD2-CG 4.3Å; L167-L247 HydrophobicContact CB-CB 4.35Å; L167-L247 WeakPolarHBondContact O-CB 3.49Å; L167-L247 PolarHBondContact O-N 3.21Å; L167-F248 HydrophobicContact CD1-CD2 4.21Å; L167-F248 PolarHBondContact N-O 3.4Å; L167-F248 PolarHBondContact O-N 3.03Å
168Y98.3Very high97.2Very high0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-119.9145.6178.6-72.4-98.2000110.7I122 F160 V164 G166 F170 V213 L214 L216 F245 L246I122-Y168 HydrophobicContact CB-CE1 4.22Å; I122-Y168 HydrophobicContact CD1-CE1 4.49Å; I122-Y168 VanDerWaalsContact CD1-OH 3.23Å; I122-Y168 WeakPolarHBondContact CD1-OH 3.11Å; I122-Y168 HydrophobicContact CG2-CE1 3.85Å; F160-Y168 HydrophobicContact CE1-CD1 4.32Å; F160-Y168 HydrophobicContact CE1-CE1 4.18Å; F160-Y168 HydrophobicContact CE2-CE1 4.38Å; F160-Y168 AromaticContact CZ-CD1 3.87Å; F160-Y168 HydrophobicContact CZ-CD1 3.87Å; F160-Y168 AromaticContact CZ-CE1 3.49Å; F160-Y168 HydrophobicContact CZ-CE1 3.49Å; F160-Y168 VanDerWaalsContact CZ-CE1 3.49Å; V164-Y168 WeakPolarHBondContact O-CE2 3.27Å; V164-Y168 PolarHBondContact O-OH 2.9Å; G166-Y168 WeakPolarHBondContact O-CD2 3.32Å; Y168-F170 VanDerWaalsContact CB-CE2 3.45Å; Y168-F170 HydrophobicContact CD1-CZ 4.46Å; Y168-F170 HydrophobicContact CG-CE2 4.29Å; Y168-F170 HydrophobicContact CG-CZ 4.33Å; Y168-V213 CarbonylContact O-C 3.48Å; Y168-V213 VanDerWaalsContact O-CA 3.29Å; Y168-V213 WeakPolarHBondContact O-CA 3.37Å; Y168-L214 PolarHBondContact N-O 3.35Å; Y168-L214 PolarHBondContact O-N 3.26Å; Y168-L216 HydrophobicContact CD2-CB 4.05Å; Y168-L216 HydrophobicContact CD2-CD1 3.8Å; Y168-L216 HydrophobicContact CD2-CG 4.04Å; Y168-L216 HydrophobicContact CE2-CB 4.28Å; Y168-L216 HydrophobicContact CE2-CD1 4.33Å; Y168-L216 HydrophobicContact CG-CD1 4.06Å; Y168-F245 WeakPolarHBondContact CA-O 3.24Å; Y168-L246 HydrophobicContact CD1-CB 4.09Å; Y168-L246 HydrophobicContact CD1-CD1 4.4Å; Y168-L246 HydrophobicContact CD2-CD1 4.06Å; Y168-L246 HydrophobicContact CE1-CB 3.65Å; Y168-L246 HydrophobicContact CE1-CD1 3.93Å; Y168-L246 HydrophobicContact CE1-CG 4.38Å; Y168-L246 HydrophobicContact CE2-CD1 3.56Å; Y168-L246 HydrophobicContact CG-CD1 4.45Å; Y168-L246 VanDerWaalsContact CZ-CD1 3.5Å
169Y98.7Very high97.2Very high76 Ų7637.4 Ų37.430%0.29818%0.179SC..EExtended strand (participates in β ladder)trans-104.6130165.2-178.5-115.8000109.6T171 V213 G244 F245Y169-T171 HydrophobicContact CD1-CG2 4.49Å; Y169-T171 HydrophobicContact CE1-CG2 3.91Å; Y169-V213 HydrophobicContact CD2-CG2 3.73Å; Y169-V213 HydrophobicContact CE2-CG2 4.49Å; Y169-G244 CarbonylContact O-C 3.59Å; Y169-G244 WeakPolarHBondContact O-CA 3.37Å; Y169-F245 AromaticContact CD1-CE1 3.62Å; Y169-F245 HydrophobicContact CD1-CE1 3.62Å; Y169-F245 AromaticContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CE1-CE1 4.5Å; Y169-F245 HydrophobicContact CG-CE1 4.47Å; Y169-F245 HydrophobicContact CG-CZ 4.28Å; Y169-F245 PolarHBondContact N-O 2.93Å; Y169-F245 PolarHBondContact O-N 2.99Å
170F98.8Very high97.2Very high1 Ų134.3 Ų34.30%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-115.9139.2172.9-65.3-85.6000109.3F124 F160 Y168 G211 M212 L214 L216 V222 F242 S243F124-F170 HydrophobicContact CE1-CD1 4.15Å; F124-F170 AromaticContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CE1-CE1 3.9Å; F124-F170 HydrophobicContact CZ-CD1 4.25Å; F124-F170 HydrophobicContact CZ-CE1 4.34Å; F160-F170 HydrophobicContact CB-CE1 4.1Å; F160-F170 AromaticContact CD1-CE1 3.78Å; F160-F170 HydrophobicContact CD1-CE1 3.78Å; F160-F170 AromaticContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD1-CZ 3.64Å; F160-F170 HydrophobicContact CD2-CE1 4.31Å; F160-F170 HydrophobicContact CE1-CE1 4.28Å; F160-F170 AromaticContact CE1-CZ 3.82Å; F160-F170 HydrophobicContact CE1-CZ 3.82Å; F160-F170 AromaticContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CE1 3.8Å; F160-F170 HydrophobicContact CG-CZ 4.15Å; F160-F170 HydrophobicContact CZ-CZ 4.46Å; Y168-F170 VanDerWaalsContact CB-CE2 3.45Å; Y168-F170 HydrophobicContact CD1-CZ 4.46Å; Y168-F170 HydrophobicContact CG-CE2 4.29Å; Y168-F170 HydrophobicContact CG-CZ 4.33Å; F170-G211 CarbonylContact O-C 3.31Å; F170-G211 WeakPolarHBondContact O-CA 3.34Å; F170-M212 PolarHBondContact N-O 2.73Å; F170-M212 PolarHBondContact O-N 2.97Å; F170-L214 HydrophobicContact CD2-CB 4.41Å; F170-L214 HydrophobicContact CD2-CD1 3.97Å; F170-L214 HydrophobicContact CD2-CG 4.39Å; F170-L214 HydrophobicContact CE2-CB 4.32Å; F170-L214 HydrophobicContact CE2-CD1 4.21Å; F170-L216 HydrophobicContact CE2-CD1 3.75Å; F170-L216 HydrophobicContact CZ-CD1 3.68Å; F170-V222 HydrophobicContact CD1-CB 4.41Å; F170-V222 HydrophobicContact CD1-CG1 3.88Å; F170-V222 HydrophobicContact CD2-CG1 4.05Å; F170-V222 HydrophobicContact CE1-CB 3.91Å; F170-V222 HydrophobicContact CE1-CG1 3.89Å; F170-V222 HydrophobicContact CE1-CG2 4.4Å; F170-V222 HydrophobicContact CE2-CB 4.18Å; F170-V222 HydrophobicContact CE2-CG1 4.07Å; F170-V222 HydrophobicContact CE2-CG2 3.85Å; F170-V222 HydrophobicContact CG-CG1 3.95Å; F170-V222 HydrophobicContact CZ-CB 3.8Å; F170-V222 HydrophobicContact CZ-CG1 4Å; F170-V222 HydrophobicContact CZ-CG2 3.78Å; F170-F242 HydrophobicContact CB-CE2 4.18Å; F170-F242 HydrophobicContact CD1-CE2 4.16Å; F170-F242 AromaticContact CD1-CZ 3.88Å; F170-F242 HydrophobicContact CD1-CZ 3.88Å; F170-S243 WeakPolarHBondContact CA-O 3.25Å
171T98.9Very high97.2Very high21 Ų2134.5 Ų34.513%0.12917%0.167CC..EExtended strand (participates in β ladder)trans-147.2149.5177.6-174.30000110.6Y169 G210 F242 S243Y169-T171 HydrophobicContact CD1-CG2 4.49Å; Y169-T171 HydrophobicContact CE1-CG2 3.91Å; T171-G210 WeakPolarHBondContact CA-O 3.17Å; T171-F242 WeakPolarHBondContact O-CD2 3.5Å; T171-S243 PolarHBondContact N-O 2.89Å; T171-S243 PolarHBondContact O-N 2.88Å; T171-S243 VanDerWaalsContact O-O 3.08Å
172Y98.8Very high97.2Very high7 Ų732.2 Ų32.23%0.02715%0.153CC..EExtended strand (participates in β ladder)trans-137.3155.1170.377.3-88.9000111A174 V182 F197 T208 T209 G210 L224 I241Y172-A174 HydrophobicContact CD2-CB 3.79Å; Y172-A174 HydrophobicContact CE2-CB 3.72Å; Y172-V182 HydrophobicContact CE2-CG2 4.43Å; Y172-F197 AromaticContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CE2 4.46Å; Y172-F197 HydrophobicContact CE1-CG 4.46Å; Y172-F197 WeakPolarHBondContact OH-CB 3.36Å; Y172-T208 HydrophobicContact CE2-CG2 4.4Å; Y172-T209 VanDerWaalsContact O-CA 3.26Å; Y172-T209 WeakPolarHBondContact O-CA 3.3Å; Y172-T209 WeakPolarHBondContact O-CB 3.39Å; Y172-T209 PolarHBondContact O-OG1 2.91Å; Y172-G210 WeakPolarHBondContact CD1-O 3.26Å; Y172-G210 PolarHBondContact N-O 3.33Å; Y172-G210 PolarHBondContact O-N 2.04Å; Y172-L224 HydrophobicContact CD1-CD1 3.87Å; Y172-L224 HydrophobicContact CD1-CD2 4.01Å; Y172-L224 HydrophobicContact CD2-CD1 4.31Å; Y172-L224 HydrophobicContact CE1-CD2 4.36Å; Y172-L224 HydrophobicContact CG-CD1 3.7Å; Y172-I241 CarbonylContact C-O 3.49Å; Y172-I241 WeakPolarHBondContact CA-O 3.5Å; Y172-I241 VanDerWaalsContact CB-O 3.23Å; Y172-I241 WeakPolarHBondContact CB-O 3.14Å
173H98.6Very high97.3Very high82 Ų8232.9 Ų32.938%0.3816%0.157SC..EExtended strand (participates in β ladder)trans-125.9128165-57.7-95.4000107.2V207 T208 T209 S240 I241H173-V207 HydrophobicContact CB-CG2 4.11Å; H173-T208 CarbonylContact C-O 3.53Å; H173-T208 WeakPolarHBondContact CA-O 3.02Å; H173-T209 PolarHBondContact CE1-OG1 2.76Å; H173-T209 VanDerWaalsContact CE1-OG1 3.26Å; H173-T209 PolarHBondContact ND1-OG1 2.9Å; H173-S240 CarbonylContact O-C 3.42Å; H173-S240 VanDerWaalsContact O-CA 3.25Å; H173-S240 WeakPolarHBondContact O-CA 3.16Å; H173-I241 HydrophobicContact CB-CG2 3.87Å; H173-I241 PolarHBondContact N-O 3.48Å; H173-I241 PolarHBondContact O-N 3.41Å
174A98.3Very high97.5Very high1 Ų128.5 Ų28.51%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-124.5116.3-173.900000110.4Y172 L180 V207 T208 L232 S240Y172-A174 HydrophobicContact CD2-CB 3.79Å; Y172-A174 HydrophobicContact CE2-CB 3.72Å; A174-L180 HydrophobicContact CB-CD2 3.68Å; A174-V207 WeakPolarHBondContact O-CA 3.43Å; A174-T208 HydrophobicContact CB-CG2 4.07Å; A174-T208 PolarHBondContact N-O 2.85Å; A174-T208 PolarHBondContact O-N 2.87Å; A174-L232 HydrophobicContact CB-CD1 3.53Å; A174-S240 WeakPolarHBondContact CA-OG 3.18Å
175S97.9Very high97.7Very high15 Ų1528 Ų2811%0.10513%0.134CC..EExtended strand (participates in β ladder)trans-72.5138.4168.1-65.80000110.2Q206 L233 A238 N239 S240S175-Q206 CarbonylContact C-O 3.57Å; S175-Q206 WeakPolarHBondContact CA-O 3.49Å; S175-L233 PolarHBondContact O-N 3.31Å; S175-A238 VanDerWaalsContact OG-C 3.28Å; S175-N239 PolarHBondContact OG-O 2.82Å; S175-N239 VanDerWaalsContact OG-O 3.07Å; S175-S240 PolarHBondContact N-OG 3.41Å
176S97.2Very high97.9Very high0 Ų031.3 Ų31.30%014%0.144CC..EExtended strand (participates in β ladder)trans-144.5155.2-178.8170.40000110.6G178 F205 Q206 S231S176-G178 PolarHBondContact OG-N 2.91Å; S176-G178 PolarHBondContact OG-O 2.88Å; S176-F205 WeakPolarHBondContact O-CA 3.16Å; S176-Q206 PolarHBondContact N-O 2.87Å; S176-Q206 PolarHBondContact O-N 3.13Å; S176-S231 WeakPolarHBondContact CA-O 3.39Å; S176-S231 WeakPolarHBondContact CB-O 3.45Å; S176-S231 PolarHBondContact OG-O 3.47Å
177R95.5Very high97.9Very high171 Ų17131.6 Ų31.665%0.64515%0.147SC*.SBendtrans-116.717.6168.662175.4-176169.12113.2T204 F205 S231 L233R177-T204 CarbonylContact C-O 3.59Å; R177-T204 WeakPolarHBondContact CA-O 3.45Å; R177-F205 HydrophobicContact CB-CD1 4.34Å; R177-F205 HydrophobicContact CB-CE1 4.28Å; R177-S231 PolarHBondContact N-OG 2.9Å; R177-L233 HydrophobicContact CB-CD1 4.1Å; R177-L233 HydrophobicContact CG-CD1 4.3Å; R177-L233 HydrophobicContact CG-CD2 4.16Å; R177-L233 HydrophobicContact CG-CG 4.44Å
178G95.9Very high97.8Very high11 Ų1135.7 Ų35.711%0.11316%0.158CC..SBendtrans-173.7-158.2-174.600000113.1S176 L180 A201 S231S176-G178 PolarHBondContact OG-N 2.91Å; S176-G178 PolarHBondContact OG-O 2.88Å; G178-L180 PolarHBondContact O-N 3.01Å; G178-A201 WeakPolarHBondContact CA-O 3.19Å; G178-S231 WeakPolarHBondContact CA-OG 3.5Å; G178-S231 PolarHBondContact N-OG 2.7Å; G178-S231 VanDerWaalsContact N-OG 3.08Å
179N98Very high97.4Very high73 Ų7345.1 Ų45.139%0.3920%0.202SC..  trans-70.6124.9179.4-57.4-20.6000110.7Y200 A201 K229 S231N179-Y200 HydrophobicContact CB-CD1 3.77Å; N179-Y200 HydrophobicContact CB-CE1 3.99Å; N179-Y200 HydrophobicContact CB-CG 4.38Å; N179-Y200 WeakPolarHBondContact OD1-CD1 3.36Å; N179-A201 PolarHBondContact OD1-O 2.77Å; N179-K229 HydrophobicContact CB-CB 4.22Å; N179-K229 HydrophobicContact CB-CG 4.13Å; N179-K229 CarbonylContact O-C 3.55Å; N179-S231 WeakPolarHBondContact O-CB 3.42Å; N179-S231 PolarHBondContact O-N 2.74Å
180L98.4Very high97Very high4 Ų452.4 Ų52.42%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-131.7124.3179.5179.561.7000109.8A174 G178 V182 C198 D199 T208 K229 L232A174-L180 HydrophobicContact CB-CD2 3.68Å; G178-L180 PolarHBondContact O-N 3.01Å; L180-V182 HydrophobicContact CD1-CG2 3.96Å; L180-V182 HydrophobicContact CD2-CG2 4.39Å; L180-V182 HydrophobicContact CG-CG2 4.05Å; L180-C198 WeakPolarHBondContact O-CA 3Å; L180-D199 PolarHBondContact N-O 2.71Å; L180-D199 PolarHBondContact O-N 3.31Å; L180-T208 HydrophobicContact CD2-CG2 3.98Å; L180-K229 WeakPolarHBondContact CA-O 3.27Å; L180-L232 HydrophobicContact CD1-CB 4.13Å; L180-L232 HydrophobicContact CD1-CD1 4.48Å; L180-L232 HydrophobicContact CD2-CD1 3.82Å
181C98.6Very high96.8Very high4 Ų453.9 Ų53.93%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-126.5132.1167.5-65.90000109.7T196 F197 C198 T227 K229C181-T196 HydrophobicContact CB-CG2 4.21Å; C181-F197 CarbonylContact C-O 3.35Å; C181-F197 WeakPolarHBondContact CA-O 3.14Å; C181-C198 HydrophobicContact CB-CB 4.12Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.21Å; C181-C198 CovalentContact SG-SG 2.04Å; C181-C198 PolarHBondContact SG-SG 2.82Å; C181-T227 HydrophobicContact CB-CG2 4.08Å; C181-T227 VanDerWaalsContact CB-OG1 3.27Å; C181-T227 WeakPolarHBondContact CB-OG1 3.17Å; C181-T227 WeakPolarHBondContact O-CG2 3.23Å; C181-T227 PolarHBondContact O-OG1 3.3Å; C181-K229 HydrophobicContact CB-CB 4Å; C181-K229 PolarHBondContact N-O 3.39Å
182V98.6Very high96.7Very high2 Ų260.1 Ų60.11%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-124.8129.7-178-176.90000109.4I140 Y172 L180 T196 F197 L224I140-V182 HydrophobicContact CD1-CG1 3.91Å; I140-V182 HydrophobicContact CD1-CG2 4.14Å; Y172-V182 HydrophobicContact CE2-CG2 4.43Å; L180-V182 HydrophobicContact CD1-CG2 3.96Å; L180-V182 HydrophobicContact CD2-CG2 4.39Å; L180-V182 HydrophobicContact CG-CG2 4.05Å; V182-T196 WeakPolarHBondContact O-CA 3.4Å; V182-F197 PolarHBondContact N-O 2.97Å; V182-F197 PolarHBondContact O-N 2.91Å; V182-L224 HydrophobicContact CG1-CB 3.72Å; V182-L224 HydrophobicContact CG1-CD1 4.21Å; V182-L224 HydrophobicContact CG1-CD2 3.83Å; V182-L224 HydrophobicContact CG1-CG 4.11Å
183N98.8Very high96.7Very high16 Ų1665.4 Ų65.49%0.08629%0.292CS..EExtended strand (participates in β ladder)trans-90.2128.9171.5-65.8-25.2000109.5M185 K193 V195 T196 L224 Q225N183-M185 HydrophobicContact CB-CG 4.44Å; N183-M185 HydrophobicContact CB-SD 3.68Å; N183-K193 HydrophobicContact CB-CD 4.15Å; N183-K193 HydrophobicContact CB-CG 4.13Å; N183-K193 WeakPolarHBondContact OD1-CD 3.48Å; N183-V195 WeakPolarHBondContact CA-O 3.27Å; N183-T196 WeakPolarHBondContact OD1-CG2 3.17Å; N183-T196 PolarHBondContact OD1-OG1 3.41Å; N183-L224 CarbonylContact O-C 3.48Å; N183-L224 WeakPolarHBondContact O-CA 3.37Å; N183-Q225 HydrophobicContact CB-CB 4.15Å; N183-Q225 PolarHBondContact N-O 2.82Å; N183-Q225 PolarHBondContact O-N 2.96Å
184L98.8Very high96.7Very high6 Ų663.7 Ų63.73%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-86.8118.8164.7-178.766.8000108.4V194 V195 M212 L214 V222 L224L184-V194 PolarHBondContact O-N 2.87Å; L184-V195 HydrophobicContact CB-CG2 3.86Å; L184-V195 HydrophobicContact CD2-CG2 4.14Å; L184-V195 PolarHBondContact N-O 2.9Å; L184-M212 HydrophobicContact CD2-CB 3.48Å; L184-M212 VanDerWaalsContact CD2-CB 3.48Å; L184-M212 HydrophobicContact CD2-CG 4.05Å; L184-L214 HydrophobicContact CD2-CD1 4.25Å; L184-V222 HydrophobicContact CD1-CG1 3.74Å; L184-L224 HydrophobicContact CB-CD2 4.42Å; L184-L224 HydrophobicContact CD1-CD2 3.73Å
185M98.6Very high96.7Very high13 Ų1365.6 Ų65.66%0.06430%0.299CS..EExtended strand (participates in β ladder)trans-106.6142-175.6-53.5-57.4-72.100110.4N183 A191 Q192 K193 V222 F223 Q225N183-M185 HydrophobicContact CB-CG 4.44Å; N183-M185 HydrophobicContact CB-SD 3.68Å; M185-A191 HydrophobicContact CB-CB 4.2Å; M185-Q192 CarbonylContact C-O 3.54Å; M185-Q192 WeakPolarHBondContact CA-O 3.41Å; M185-K193 HydrophobicContact CE-CB 4.13Å; M185-K193 HydrophobicContact SD-CB 3.81Å; M185-K193 HydrophobicContact SD-CG 4.07Å; M185-V222 VanDerWaalsContact O-CA 3.31Å; M185-V222 WeakPolarHBondContact O-CA 3.33Å; M185-F223 HydrophobicContact CB-CD1 4.15Å; M185-F223 HydrophobicContact CB-CD2 3.96Å; M185-F223 HydrophobicContact CB-CE1 3.85Å; M185-F223 HydrophobicContact CB-CE2 3.66Å; M185-F223 HydrophobicContact CB-CG 4.2Å; M185-F223 HydrophobicContact CB-CZ 3.6Å; M185-F223 HydrophobicContact CG-CD2 4.02Å; M185-F223 HydrophobicContact CG-CE2 3.61Å; M185-F223 HydrophobicContact CG-CZ 3.97Å; M185-F223 PolarHBondContact N-O 3.25Å; M185-F223 PolarHBondContact O-N 3.48Å; M185-Q225 HydrophobicContact CG-CB 3.59Å; M185-Q225 HydrophobicContact SD-CB 4.23Å; M185-Q225 PolarHBondContact SD-OE1 3.07Å
186R98.3Very high96.7Very high91 Ų9167.3 Ų67.334%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-135137.4172.9179.5-17762.4178.1-1.5110.9A191 Q192 V194 K215 L216 N221 V222R186-A191 CarbonylContact O-C 3.56Å; R186-A191 WeakPolarHBondContact O-CA 3.5Å; R186-Q192 PolarHBondContact N-O 3.17Å; R186-Q192 PolarHBondContact O-N 3.08Å; R186-V194 HydrophobicContact CB-CG2 3.55Å; R186-K215 PolarHBondContact NH1-O 2.73Å; R186-L216 HydrophobicContact CG-CD2 3.95Å; R186-N221 CarbonylContact C-O 3.48Å; R186-N221 VanDerWaalsContact CA-O 3.25Å; R186-N221 WeakPolarHBondContact CA-O 3.28Å; R186-V222 HydrophobicContact CG-CG2 4.42Å
187G94.3Very high96.8Very high7 Ų769.9 Ų69.97%0.07232%0.32CS..EExtended strand (participates in β ladder)trans149.6-175.3166.500000113.2N221G187-N221 PolarHBondContact N-O 3.2Å; G187-N221 WeakPolarHBondContact O-CA 3.4Å; G187-N221 VanDerWaalsContact O-CB 3.25Å; G187-N221 WeakPolarHBondContact O-CB 3.26Å; G187-N221 PolarHBondContact O-N 3.4Å; G187-N221 PolarHBondContact O-ND2 2.79Å
188R94.3Very high97Very high148 Ų14864.9 Ų64.956%0.55831%0.31SS*.SBendtrans-88.5-106.3-178-60.6-177.1-179.1-156.6-1.3111.4Q218 E220 N221R188-Q218 PolarHBondContact NH2-O 2.77Å; R188-Q218 VanDerWaalsContact NH2-O 3.08Å; R188-E220 HydrophobicContact CG-CG 4.1Å; R188-N221 PolarHBondContact O-ND2 2.86Å
189E89.5Confident97.1Very high198 Ų19867.1 Ų67.193%0.92532%0.32SS*.SBendtrans-71.6-40.7176.3-62.1-169.8165.300112.3
190R91.7Very high97.1Very high230 Ų23069.8 Ų69.887%0.86833%0.325SS*.SBendtrans-107.7100.8173.3-67.5-176-177.9-176.60.7109
191A94.6Very high97Very high32 Ų3270 Ų7026%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-78.1136.1174.400000110.4M185 R186 F223M185-A191 HydrophobicContact CB-CB 4.2Å; R186-A191 CarbonylContact O-C 3.56Å; R186-A191 WeakPolarHBondContact O-CA 3.5Å; A191-F223 HydrophobicContact CB-CE1 3.62Å; A191-F223 HydrophobicContact CB-CZ 3.68Å
192Q97.1Very high96.9Very high151 Ų15180.1 Ų80.171%0.70637%0.367SS*.EExtended strand (participates in β ladder)trans-101.7149.3173.4-65-177.4-7.200109.9M185 R186 V194M185-Q192 CarbonylContact C-O 3.54Å; M185-Q192 WeakPolarHBondContact CA-O 3.41Å; R186-Q192 PolarHBondContact N-O 3.17Å; R186-Q192 PolarHBondContact O-N 3.08Å; Q192-V194 PolarHBondContact O-N 2.79Å
193K98.3Very high96.6Very high119 Ų11987.4 Ų87.452%0.51741%0.406SS..EExtended strand (participates in β ladder)trans-74.4123174.3-174.1179.977.5160.50109.5N183 M185 T196N183-K193 HydrophobicContact CB-CD 4.15Å; N183-K193 HydrophobicContact CB-CG 4.13Å; N183-K193 WeakPolarHBondContact OD1-CD 3.48Å; M185-K193 HydrophobicContact CE-CB 4.13Å; M185-K193 HydrophobicContact SD-CB 3.81Å; M185-K193 HydrophobicContact SD-CG 4.07Å; K193-T196 VanDerWaalsContact CD-OG1 3.32Å; K193-T196 WeakPolarHBondContact CD-OG1 3.14Å; K193-T196 PolarHBondContact NZ-OG1 3.26Å
194V98.1Very high96.5Very high46 Ų4690.4 Ų90.428%0.27943%0.425SS..EExtended strand (participates in β ladder)trans-80.6-56.4172.7-176.40000109.3L184 R186 Q192 M212 L214L184-V194 PolarHBondContact O-N 2.87Å; R186-V194 HydrophobicContact CB-CG2 3.55Å; Q192-V194 PolarHBondContact O-N 2.79Å; V194-M212 HydrophobicContact CG1-CE 4.43Å; V194-M212 HydrophobicContact CG1-CG 4.37Å; V194-L214 HydrophobicContact CG1-CD2 4.02Å; V194-L214 HydrophobicContact CG2-CD2 4.39Å
195V98.5Very high96.3Very high40 Ų4097.2 Ų97.224%0.24246%0.455CS..EExtended strand (participates in β ladder)trans-148.5158.8-177.9-74.30000110.8N183 L184 F197 M212N183-V195 WeakPolarHBondContact CA-O 3.27Å; L184-V195 HydrophobicContact CB-CG2 3.86Å; L184-V195 HydrophobicContact CD2-CG2 4.14Å; L184-V195 PolarHBondContact N-O 2.9Å; V195-F197 HydrophobicContact CB-CE2 4.36Å; V195-F197 HydrophobicContact CB-CZ 4.47Å; V195-F197 HydrophobicContact CG2-CD2 4.14Å; V195-F197 HydrophobicContact CG2-CE2 3.37Å; V195-F197 HydrophobicContact CG2-CZ 3.68Å; V195-M212 HydrophobicContact CB-CE 4.25Å; V195-M212 HydrophobicContact CG1-CE 3.51Å; V195-M212 HydrophobicContact CG2-CE 3.7Å
196T98.7Very high96.2Very high52 Ų5298.3 Ų98.332%0.31946%0.459SS..EExtended strand (participates in β ladder)trans-116.1128.2166.8-560000108.2C181 V182 N183 K193C181-T196 HydrophobicContact CB-CG2 4.21Å; V182-T196 WeakPolarHBondContact O-CA 3.4Å; N183-T196 WeakPolarHBondContact OD1-CG2 3.17Å; N183-T196 PolarHBondContact OD1-OG1 3.41Å; K193-T196 VanDerWaalsContact CD-OG1 3.32Å; K193-T196 WeakPolarHBondContact CD-OG1 3.14Å; K193-T196 PolarHBondContact NZ-OG1 3.26Å
197F98.7Very high96.2Very high53 Ų5398.6 Ų98.623%0.23247%0.471CS..EExtended strand (participates in β ladder)trans-104.4129.6169.1-63.1-77.4000108.2Y172 C181 V182 V195Y172-F197 AromaticContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CD2 3.88Å; Y172-F197 HydrophobicContact CE1-CE2 4.46Å; Y172-F197 HydrophobicContact CE1-CG 4.46Å; Y172-F197 WeakPolarHBondContact OH-CB 3.36Å; C181-F197 CarbonylContact C-O 3.35Å; C181-F197 WeakPolarHBondContact CA-O 3.14Å; V182-F197 PolarHBondContact N-O 2.97Å; V182-F197 PolarHBondContact O-N 2.91Å; V195-F197 HydrophobicContact CB-CE2 4.36Å; V195-F197 HydrophobicContact CB-CZ 4.47Å; V195-F197 HydrophobicContact CG2-CD2 4.14Å; V195-F197 HydrophobicContact CG2-CE2 3.37Å; V195-F197 HydrophobicContact CG2-CZ 3.68Å
198C98.4Very high96.4Very high66 Ų6698.9 Ų98.945%0.44647%0.471SS..EExtended strand (participates in β ladder)trans-129.2135-178.7-78.50000109.7L180 C181 Y200L180-C198 WeakPolarHBondContact O-CA 3Å; C181-C198 HydrophobicContact CB-CB 4.12Å; C181-C198 WeakPolarHBondContact CB-SG 3.46Å; C181-C198 WeakPolarHBondContact SG-CB 3.21Å; C181-C198 CovalentContact SG-SG 2.04Å; C181-C198 PolarHBondContact SG-SG 2.82Å; C198-Y200 HydrophobicContact CB-CE2 3.88Å
199D98.4Very high96.6Very high59 Ų5995.3 Ų95.332%0.31647%0.466SS..EExtended strand (participates in β ladder)trans-144.8134.8176.8-156.1-17.1000109.6L180 Q206 T208L180-D199 PolarHBondContact N-O 2.71Å; L180-D199 PolarHBondContact O-N 3.31Å; D199-Q206 PolarHBondContact O-NE2 2.85Å; D199-T208 HydrophobicContact CB-CG2 4.12Å; D199-T208 WeakPolarHBondContact CB-OG1 3.41Å; D199-T208 WeakPolarHBondContact OD2-CB 3.44Å; D199-T208 PolarHBondContact OD2-OG1 2.83Å
200Y97.9Very high97Very high128 Ų12886 Ų8650%0.50242%0.424SS..  trans-119.9116.6-166.5-72.4-111.4000109.5N179 C198N179-Y200 HydrophobicContact CB-CD1 3.77Å; N179-Y200 HydrophobicContact CB-CE1 3.99Å; N179-Y200 HydrophobicContact CB-CG 4.38Å; N179-Y200 WeakPolarHBondContact OD1-CD1 3.36Å; C198-Y200 HydrophobicContact CB-CE2 3.88Å
201A96Very high97.3Very high9 Ų976.3 Ų76.37%0.07440%0.395CS..  trans-109.4139.9171.100000110.8G178 N179 T204 Q206G178-A201 WeakPolarHBondContact CA-O 3.19Å; N179-A201 PolarHBondContact OD1-O 2.77Å; A201-T204 HydrophobicContact CB-CG2 3.84Å; A201-Q206 HydrophobicContact CB-CB 4.33Å; A201-Q206 VanDerWaalsContact CB-CD 3.49Å; A201-Q206 HydrophobicContact CB-CG 3.94Å
202Y96.7Very high97.4Very high217 Ų21777.4 Ų77.485%0.85140%0.395SS*.SBendtrans-119.4121.5169.6-176.7-97.9000110T204Y202-T204 PolarHBondContact O-N 3.27Å; Y202-T204 VanDerWaalsContact O-N 3.09Å
203N93.5Very high97.5Very high155 Ų15573.9 Ų73.983%0.82938%0.384SS*.SBendtrans49.534.7177.6-16036.4000114.7
204T95.4Very high97.5Very high78 Ų7868.6 Ų68.648%0.47936%0.361SS..SBendtrans-148164.7179.7-167.70000110.8R177 A201 Y202R177-T204 CarbonylContact C-O 3.59Å; R177-T204 WeakPolarHBondContact CA-O 3.45Å; A201-T204 HydrophobicContact CB-CG2 3.84Å; Y202-T204 PolarHBondContact O-N 3.27Å; Y202-T204 VanDerWaalsContact O-N 3.09Å
205F95.2Very high97.4Very high150 Ų15071.3 Ų71.366%0.65837%0.369SS*.  trans-92.1143.8168.3-70.3-98.4000109.6S176 R177 L233S176-F205 WeakPolarHBondContact O-CA 3.16Å; R177-F205 HydrophobicContact CB-CD1 4.34Å; R177-F205 HydrophobicContact CB-CE1 4.28Å; F205-L233 HydrophobicContact CD1-CD1 3.85Å; F205-L233 HydrophobicContact CE1-CD1 3.83Å
206Q97.1Very high97.4Very high35 Ų3569.4 Ų69.416%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-139161.7175.371.4179.916.900111.1S175 S176 D199 A201S175-Q206 CarbonylContact C-O 3.57Å; S175-Q206 WeakPolarHBondContact CA-O 3.49Å; S176-Q206 PolarHBondContact N-O 2.87Å; S176-Q206 PolarHBondContact O-N 3.13Å; D199-Q206 PolarHBondContact O-NE2 2.85Å; A201-Q206 HydrophobicContact CB-CB 4.33Å; A201-Q206 VanDerWaalsContact CB-CD 3.49Å; A201-Q206 HydrophobicContact CB-CG 3.94Å
207V98.1Very high97.3Very high97 Ų9771.3 Ų71.359%0.58836%0.363SS*.EExtended strand (participates in β ladder)trans-121.6123.516159.90000107.7H173 A174H173-V207 HydrophobicContact CB-CG2 4.11Å; A174-V207 WeakPolarHBondContact O-CA 3.43Å
208T97.6Very high97.1Very high13 Ų1374.7 Ų74.78%0.0838%0.38CS..EExtended strand (participates in β ladder)trans-109.9159.3175.1-165.90000110.2Y172 H173 A174 L180 D199Y172-T208 HydrophobicContact CE2-CG2 4.4Å; H173-T208 CarbonylContact C-O 3.53Å; H173-T208 WeakPolarHBondContact CA-O 3.02Å; A174-T208 HydrophobicContact CB-CG2 4.07Å; A174-T208 PolarHBondContact N-O 2.85Å; A174-T208 PolarHBondContact O-N 2.87Å; L180-T208 HydrophobicContact CD2-CG2 3.98Å; D199-T208 HydrophobicContact CB-CG2 4.12Å; D199-T208 WeakPolarHBondContact CB-OG1 3.41Å; D199-T208 WeakPolarHBondContact OD2-CB 3.44Å; D199-T208 PolarHBondContact OD2-OG1 2.83Å
209T98.6Very high97Very high73 Ų7373 Ų7345%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-141.1152.4-178.5-1730000111.4Y172 H173Y172-T209 VanDerWaalsContact O-CA 3.26Å; Y172-T209 WeakPolarHBondContact O-CA 3.3Å; Y172-T209 WeakPolarHBondContact O-CB 3.39Å; Y172-T209 PolarHBondContact O-OG1 2.91Å; H173-T209 PolarHBondContact CE1-OG1 2.76Å; H173-T209 VanDerWaalsContact CE1-OG1 3.26Å; H173-T209 PolarHBondContact ND1-OG1 2.9Å
210G97.9Very high97Very high4 Ų471.9 Ų71.94%0.04137%0.367CS..EExtended strand (participates in β ladder)trans-150.1144.8171.200000109T171 Y172T171-G210 WeakPolarHBondContact CA-O 3.17Å; Y172-G210 WeakPolarHBondContact CD1-O 3.26Å; Y172-G210 PolarHBondContact N-O 3.33Å; Y172-G210 PolarHBondContact O-N 2.04Å
211G97.8Very high97Very high26 Ų2667 Ų6727%0.26835%0.349SS..EExtended strand (participates in β ladder)trans-144.1155.2178.700000111.5F170F170-G211 CarbonylContact O-C 3.31Å; F170-G211 WeakPolarHBondContact O-CA 3.34Å
212M98.3Very high97.1Very high54 Ų5466.5 Ų66.527%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-154136.9179.5-171.462.167.500110.4F170 L184 V194 V195 L214F170-M212 PolarHBondContact N-O 2.73Å; F170-M212 PolarHBondContact O-N 2.97Å; L184-M212 HydrophobicContact CD2-CB 3.48Å; L184-M212 VanDerWaalsContact CD2-CB 3.48Å; L184-M212 HydrophobicContact CD2-CG 4.05Å; V194-M212 HydrophobicContact CG1-CE 4.43Å; V194-M212 HydrophobicContact CG1-CG 4.37Å; V195-M212 HydrophobicContact CB-CE 4.25Å; V195-M212 HydrophobicContact CG1-CE 3.51Å; V195-M212 HydrophobicContact CG2-CE 3.7Å; M212-L214 HydrophobicContact CB-CG 4.46Å; M212-L214 HydrophobicContact CG-CD2 3.62Å; M212-L214 HydrophobicContact CG-CG 3.83Å
213V98.6Very high97.2Very high77 Ų7756.7 Ų56.747%0.46731%0.307SS..EExtended strand (participates in β ladder)trans-87.3127.4164.6179.80000108.2L167 Y168 Y169 L247L167-V213 HydrophobicContact CD2-CG1 4.22Å; Y168-V213 CarbonylContact O-C 3.48Å; Y168-V213 VanDerWaalsContact O-CA 3.29Å; Y168-V213 WeakPolarHBondContact O-CA 3.37Å; Y169-V213 HydrophobicContact CD2-CG2 3.73Å; Y169-V213 HydrophobicContact CE2-CG2 4.49Å; V213-L247 HydrophobicContact CG1-CD1 4.03Å; V213-L247 HydrophobicContact CG2-CD1 4.33Å
214L97.9Very high97.5Very high8 Ų849.4 Ų49.44%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-128.3129.4179.7-65.4176.7000109.9Y168 F170 L184 V194 M212 L216 V222Y168-L214 PolarHBondContact N-O 3.35Å; Y168-L214 PolarHBondContact O-N 3.26Å; F170-L214 HydrophobicContact CD2-CB 4.41Å; F170-L214 HydrophobicContact CD2-CD1 3.97Å; F170-L214 HydrophobicContact CD2-CG 4.39Å; F170-L214 HydrophobicContact CE2-CB 4.32Å; F170-L214 HydrophobicContact CE2-CD1 4.21Å; L184-L214 HydrophobicContact CD2-CD1 4.25Å; V194-L214 HydrophobicContact CG1-CD2 4.02Å; V194-L214 HydrophobicContact CG2-CD2 4.39Å; M212-L214 HydrophobicContact CB-CG 4.46Å; M212-L214 HydrophobicContact CG-CD2 3.62Å; M212-L214 HydrophobicContact CG-CG 3.83Å; L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.34Å; L214-V222 HydrophobicContact CD1-CG1 4.27Å; L214-V222 HydrophobicContact CD1-CG2 4.08Å
215K97.1Very high97.6Very high103 Ų10347 Ų4745%0.44825%0.252SS..EExtended strand (participates in β ladder)trans-75.4130.3158.5-166.5171.1-177.6172.20108.4G166 L167 R186 D250G166-K215 WeakPolarHBondContact O-CA 3.32Å; L167-K215 HydrophobicContact CD2-CB 3.79Å; L167-K215 HydrophobicContact CD2-CG 4.3Å; R186-K215 PolarHBondContact NH1-O 2.73Å; K215-D250 WeakPolarHBondContact CE-OD1 3.37Å; K215-D250 WeakPolarHBondContact CE-OD2 3.46Å; K215-D250 IonicContact NZ-OD1 3.68Å; K215-D250 PolarHBondContact NZ-OD1 3.42Å; K215-D250 IonicContact NZ-OD2 3.73Å
216L97.3Very high97.8Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-126.2140.6-178.4-62.1-177.1000111.3F160 C162 P165 G166 Y168 F170 R186 L214 E220 V222F160-L216 HydrophobicContact CD1-CD1 4.27Å; F160-L216 HydrophobicContact CE1-CD1 3.82Å; C162-L216 HydrophobicContact CB-CB 4.05Å; C162-L216 HydrophobicContact CB-CD1 4.18Å; P165-L216 WeakPolarHBondContact CA-O 3.26Å; G166-L216 PolarHBondContact N-O 3.05Å; G166-L216 VanDerWaalsContact N-O 3.11Å; G166-L216 PolarHBondContact O-N 3.07Å; Y168-L216 HydrophobicContact CD2-CB 4.05Å; Y168-L216 HydrophobicContact CD2-CD1 3.8Å; Y168-L216 HydrophobicContact CD2-CG 4.04Å; Y168-L216 HydrophobicContact CE2-CB 4.28Å; Y168-L216 HydrophobicContact CE2-CD1 4.33Å; Y168-L216 HydrophobicContact CG-CD1 4.06Å; F170-L216 HydrophobicContact CE2-CD1 3.75Å; F170-L216 HydrophobicContact CZ-CD1 3.68Å; R186-L216 HydrophobicContact CG-CD2 3.95Å; L214-L216 HydrophobicContact CB-CD2 4.07Å; L214-L216 HydrophobicContact CB-CG 4.34Å; L216-E220 WeakPolarHBondContact CA-OE2 3.46Å; L216-V222 HydrophobicContact CD1-CG2 3.77Å; L216-V222 HydrophobicContact CD2-CG2 3.7Å; L216-V222 HydrophobicContact CG-CG2 4.39Å
217E96.3Very high97.8Very high92 Ų9239.1 Ų39.143%0.4322%0.218SC..  trans-93.2157.1168.9-60.6-59.9154.700111.2C162 G219 E220C162-E217 VanDerWaalsContact CB-O 3.31Å; C162-E217 WeakPolarHBondContact CB-O 3.47Å; E217-G219 PolarHBondContact O-N 2.9Å; E217-E220 HydrophobicContact CB-CG 4.16Å; E217-E220 PolarHBondContact N-OE2 2.88Å; E217-E220 WeakPolarHBondContact O-CB 3.15Å; E217-E220 PolarHBondContact O-N 2.88Å; E217-E220 VanDerWaalsContact O-N 3.09Å
218Q95.4Very high97.8Very high124 Ų12439.1 Ų39.158%0.57922%0.215SC*.THydrogen-bonded Turntrans-56.3132.8177.2-171177.96100111.2K163 P165 R188 E220K163-Q218 PolarHBondContact O-NE2 3.49Å; P165-Q218 HydrophobicContact CG-CB 4.08Å; R188-Q218 PolarHBondContact NH2-O 2.77Å; R188-Q218 VanDerWaalsContact NH2-O 3.08Å; Q218-E220 VanDerWaalsContact C-N 3.33Å
219G95.9Very high97.8Very high32 Ų3242.4 Ų42.433%0.3323%0.228SC..THydrogen-bonded Turntrans83.8-4.8-178.800000115.3C162 E217C162-G219 PolarHBondContact O-N 2.8Å; E217-G219 PolarHBondContact O-N 2.9Å
220E98.2Very high97.7Very high34 Ų3442 Ų4216%0.15922%0.224CC..  trans-70.9142.4171.1-68.9-162.4107.200111.9T161 C162 R188 L216 E217 Q218T161-E220 WeakPolarHBondContact CA-O 3.49Å; C162-E220 PolarHBondContact N-O 3.09Å; R188-E220 HydrophobicContact CG-CG 4.1Å; L216-E220 WeakPolarHBondContact CA-OE2 3.46Å; E217-E220 HydrophobicContact CB-CG 4.16Å; E217-E220 PolarHBondContact N-OE2 2.88Å; E217-E220 WeakPolarHBondContact O-CB 3.15Å; E217-E220 PolarHBondContact O-N 2.88Å; E217-E220 VanDerWaalsContact O-N 3.09Å; Q218-E220 VanDerWaalsContact C-N 3.33Å
221N98.4Very high97.7Very high25 Ų2543 Ų4313%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-101.8144.1177-57.5-61.9000111.3F160 T161 R186 G187 R188 F223F160-N221 CarbonylContact O-C 3.57Å; F160-N221 WeakPolarHBondContact O-CA 3.48Å; T161-N221 PolarHBondContact OG1-OD1 3.4Å; R186-N221 CarbonylContact C-O 3.48Å; R186-N221 VanDerWaalsContact CA-O 3.25Å; R186-N221 WeakPolarHBondContact CA-O 3.28Å; G187-N221 PolarHBondContact N-O 3.2Å; G187-N221 WeakPolarHBondContact O-CA 3.4Å; G187-N221 VanDerWaalsContact O-CB 3.25Å; G187-N221 WeakPolarHBondContact O-CB 3.26Å; G187-N221 PolarHBondContact O-N 3.4Å; G187-N221 PolarHBondContact O-ND2 2.79Å; R188-N221 PolarHBondContact O-ND2 2.86Å; N221-F223 HydrophobicContact CB-CD1 4.39Å
222V98.8Very high97.6Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-126.9131.8167.4-179.20000109.4F160 F170 L184 M185 R186 L214 L216 F242F160-V222 HydrophobicContact CD1-CB 4.45Å; F160-V222 PolarHBondContact N-O 2.84Å; F160-V222 PolarHBondContact O-N 2.95Å; F170-V222 HydrophobicContact CD1-CB 4.41Å; F170-V222 HydrophobicContact CD1-CG1 3.88Å; F170-V222 HydrophobicContact CD2-CG1 4.05Å; F170-V222 HydrophobicContact CE1-CB 3.91Å; F170-V222 HydrophobicContact CE1-CG1 3.89Å; F170-V222 HydrophobicContact CE1-CG2 4.4Å; F170-V222 HydrophobicContact CE2-CB 4.18Å; F170-V222 HydrophobicContact CE2-CG1 4.07Å; F170-V222 HydrophobicContact CE2-CG2 3.85Å; F170-V222 HydrophobicContact CG-CG1 3.95Å; F170-V222 HydrophobicContact CZ-CB 3.8Å; F170-V222 HydrophobicContact CZ-CG1 4Å; F170-V222 HydrophobicContact CZ-CG2 3.78Å; L184-V222 HydrophobicContact CD1-CG1 3.74Å; M185-V222 VanDerWaalsContact O-CA 3.31Å; M185-V222 WeakPolarHBondContact O-CA 3.33Å; R186-V222 HydrophobicContact CG-CG2 4.42Å; L214-V222 HydrophobicContact CD1-CG1 4.27Å; L214-V222 HydrophobicContact CD1-CG2 4.08Å; L216-V222 HydrophobicContact CD1-CG2 3.77Å; L216-V222 HydrophobicContact CD2-CG2 3.7Å; L216-V222 HydrophobicContact CG-CG2 4.39Å; V222-F242 HydrophobicContact CG1-CZ 4.41Å
223F98.8Very high97.4Very high11 Ų1141.1 Ų41.15%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-157.8163.4178.559.5-86.4000112T139 G158 K159 M185 A191 N221 Q225T139-F223 HydrophobicContact CG2-CB 4.1Å; T139-F223 HydrophobicContact CG2-CD2 3.68Å; T139-F223 HydrophobicContact CG2-CE2 4.42Å; T139-F223 HydrophobicContact CG2-CG 4.12Å; G158-F223 WeakPolarHBondContact O-CB 3.45Å; K159-F223 HydrophobicContact CB-CB 4.37Å; K159-F223 HydrophobicContact CD-CD1 4.08Å; K159-F223 HydrophobicContact CD-CE1 4.41Å; K159-F223 HydrophobicContact CG-CB 3.91Å; K159-F223 HydrophobicContact CG-CD1 3.93Å; K159-F223 HydrophobicContact CG-CG 4.01Å; M185-F223 HydrophobicContact CB-CD1 4.15Å; M185-F223 HydrophobicContact CB-CD2 3.96Å; M185-F223 HydrophobicContact CB-CE1 3.85Å; M185-F223 HydrophobicContact CB-CE2 3.66Å; M185-F223 HydrophobicContact CB-CG 4.2Å; M185-F223 HydrophobicContact CB-CZ 3.6Å; M185-F223 HydrophobicContact CG-CD2 4.02Å; M185-F223 HydrophobicContact CG-CE2 3.61Å; M185-F223 HydrophobicContact CG-CZ 3.97Å; M185-F223 PolarHBondContact N-O 3.25Å; M185-F223 PolarHBondContact O-N 3.48Å; A191-F223 HydrophobicContact CB-CE1 3.62Å; A191-F223 HydrophobicContact CB-CZ 3.68Å; N221-F223 HydrophobicContact CB-CD1 4.39Å; F223-Q225 HydrophobicContact CD2-CB 4.39Å; F223-Q225 HydrophobicContact CE2-CB 4.17Å
224L98.8Very high96.9Very high2 Ų237.5 Ų37.51%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-93137.4172.6-60.4-178.9000110I140 F142 Y172 V182 N183 L184 F242I140-L224 HydrophobicContact CB-CB 4.19Å; I140-L224 HydrophobicContact CD1-CB 4.18Å; I140-L224 HydrophobicContact CG1-CB 4.43Å; I140-L224 PolarHBondContact N-O 2.88Å; F142-L224 HydrophobicContact CE2-CB 4.42Å; F142-L224 HydrophobicContact CE2-CD1 3.78Å; F142-L224 HydrophobicContact CE2-CG 4.49Å; F142-L224 HydrophobicContact CZ-CD1 3.75Å; Y172-L224 HydrophobicContact CD1-CD1 3.87Å; Y172-L224 HydrophobicContact CD1-CD2 4.01Å; Y172-L224 HydrophobicContact CD2-CD1 4.31Å; Y172-L224 HydrophobicContact CE1-CD2 4.36Å; Y172-L224 HydrophobicContact CG-CD1 3.7Å; V182-L224 HydrophobicContact CG1-CB 3.72Å; V182-L224 HydrophobicContact CG1-CD1 4.21Å; V182-L224 HydrophobicContact CG1-CD2 3.83Å; V182-L224 HydrophobicContact CG1-CG 4.11Å; N183-L224 CarbonylContact O-C 3.48Å; N183-L224 WeakPolarHBondContact O-CA 3.37Å; L184-L224 HydrophobicContact CB-CD2 4.42Å; L184-L224 HydrophobicContact CD1-CD2 3.73Å; L224-F242 HydrophobicContact CD1-CB 4.24Å; L224-F242 HydrophobicContact CD1-CD2 3.85Å; L224-F242 HydrophobicContact CD1-CE2 4.33Å; L224-F242 HydrophobicContact CD1-CG 3.97Å; L224-F242 HydrophobicContact CD2-CE2 4.34Å; L224-F242 HydrophobicContact CG-CD1 4.47Å; L224-F242 HydrophobicContact CG-CD2 4.15Å; L224-F242 HydrophobicContact CG-CE1 4.47Å; L224-F242 HydrophobicContact CG-CE2 4.16Å; L224-F242 HydrophobicContact CG-CG 4.32Å; L224-F242 HydrophobicContact CG-CZ 4.32Å
225Q98.6Very high96.3Very high28 Ų2842 Ų4213%0.13122%0.215CC..EExtended strand (participates in β ladder)trans-123.9135.4179.5179.7-175.267.600110.3D137 Q138 N183 M185 F223D137-Q225 WeakPolarHBondContact O-CG 3.38Å; D137-Q225 PolarHBondContact O-NE2 2.86Å; Q138-Q225 WeakPolarHBondContact O-CA 3.36Å; N183-Q225 HydrophobicContact CB-CB 4.15Å; N183-Q225 PolarHBondContact N-O 2.82Å; N183-Q225 PolarHBondContact O-N 2.96Å; M185-Q225 HydrophobicContact CG-CB 3.59Å; M185-Q225 HydrophobicContact SD-CB 4.23Å; M185-Q225 PolarHBondContact SD-OE1 3.07Å; F223-Q225 HydrophobicContact CD2-CB 4.39Å; F223-Q225 HydrophobicContact CE2-CB 4.17Å
226A98.2Very high95.7Very high2 Ų245.9 Ų45.92%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-75.2154.1179.800000112L134 R135 D137 Q138 I140L134-A226 HydrophobicContact CB-CB 3.75Å; L134-A226 HydrophobicContact CD1-CB 4.18Å; L134-A226 HydrophobicContact CG-CB 4.4Å; R135-A226 WeakPolarHBondContact O-CB 3.42Å; D137-A226 PolarHBondContact N-O 3.47Å; Q138-A226 PolarHBondContact O-N 3.1Å; I140-A226 HydrophobicContact CD1-CB 4.24Å; I140-A226 HydrophobicContact CG1-CB 4Å
227T98.4Very high95.3Very high16 Ų1649.7 Ų49.710%0.09827%0.273CS..EExtended strand (participates in β ladder)trans-118.8-171.3174.469.50000109.8C181 K229C181-T227 HydrophobicContact CB-CG2 4.08Å; C181-T227 VanDerWaalsContact CB-OG1 3.27Å; C181-T227 WeakPolarHBondContact CB-OG1 3.17Å; C181-T227 WeakPolarHBondContact O-CG2 3.23Å; C181-T227 PolarHBondContact O-OG1 3.3Å; T227-K229 PolarHBondContact O-N 2.93Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 VanDerWaalsContact OG1-N 3.13Å; T227-K229 PolarHBondContact OG1-O 3.37Å
228D97.4Very high95.1Very high97 Ų9746.1 Ų46.152%0.51926%0.26SS..EExtended strand (participates in β ladder)trans-63.3-20.6171.2-54.1-52.6000112.9R136 N230R136-D228 WeakPolarHBondContact CB-OD1 3.33Å; R136-D228 WeakPolarHBondContact CD-OD1 3.22Å; R136-D228 WeakPolarHBondContact CG-OD1 3.37Å; R136-D228 IonicContact NE-OD1 3.33Å; R136-D228 IonicContact NE-OD2 3.23Å; R136-D228 PolarHBondContact NE-OD2 2.82Å; D228-N230 PolarHBondContact O-N 2.82Å
229K98Very high95.2Very high82 Ų8244.2 Ų44.236%0.35725%0.253SS..EExtended strand (participates in β ladder)trans-97.490.2176.2-6582.6-178.51710106.7N179 L180 C181 T227N179-K229 HydrophobicContact CB-CB 4.22Å; N179-K229 HydrophobicContact CB-CG 4.13Å; N179-K229 CarbonylContact O-C 3.55Å; L180-K229 WeakPolarHBondContact CA-O 3.27Å; C181-K229 HydrophobicContact CB-CB 4Å; C181-K229 PolarHBondContact N-O 3.39Å; T227-K229 PolarHBondContact O-N 2.93Å; T227-K229 PolarHBondContact OG1-N 2.87Å; T227-K229 VanDerWaalsContact OG1-N 3.13Å; T227-K229 PolarHBondContact OG1-O 3.37Å
230N96.8Very high95.3Very high66 Ų6642.7 Ų42.735%0.35324%0.238SC..EExtended strand (participates in β ladder)trans-120.720.6-161.264.7-8.7000113.7L134 D228 L232L134-N230 HydrophobicContact CB-CB 4.32Å; L134-N230 PolarHBondContact O-ND2 2.72Å; D228-N230 PolarHBondContact O-N 2.82Å; N230-L232 PolarHBondContact O-N 2.94Å
231S96.5Very high95.3Very high24 Ų2443 Ų4317%0.16824%0.24CC..  trans-70.680.3177.8-1680000110.2S176 R177 G178 N179S176-S231 WeakPolarHBondContact CA-O 3.39Å; S176-S231 WeakPolarHBondContact CB-O 3.45Å; S176-S231 PolarHBondContact OG-O 3.47Å; R177-S231 PolarHBondContact N-OG 2.9Å; G178-S231 WeakPolarHBondContact CA-OG 3.5Å; G178-S231 PolarHBondContact N-OG 2.7Å; G178-S231 VanDerWaalsContact N-OG 3.08Å; N179-S231 WeakPolarHBondContact O-CB 3.42Å; N179-S231 PolarHBondContact O-N 2.74Å
232L96.8Very high95.3Very high21 Ų2141.9 Ų41.911%0.1123%0.234CC..  trans-114.7128.8179-175.269.7000109.7L134 I140 A174 L180 N230 S240L134-L232 HydrophobicContact CD1-CB 4.1Å; L134-L232 HydrophobicContact CD1-CD2 3.66Å; I140-L232 HydrophobicContact CD1-CD2 4.37Å; I140-L232 HydrophobicContact CG2-CD2 3.58Å; A174-L232 HydrophobicContact CB-CD1 3.53Å; L180-L232 HydrophobicContact CD1-CB 4.13Å; L180-L232 HydrophobicContact CD1-CD1 4.48Å; L180-L232 HydrophobicContact CD2-CD1 3.82Å; N230-L232 PolarHBondContact O-N 2.94Å; L232-S240 WeakPolarHBondContact CD1-OG 3.5Å
233L94.3Very high95.3Very high20 Ų2042.6 Ų42.611%0.10524%0.239CC..BIsolated β-bridgetrans-104.4144.5176.8-60.7177.1000110.6S175 R177 F205 S240S175-L233 PolarHBondContact O-N 3.31Å; R177-L233 HydrophobicContact CB-CD1 4.1Å; R177-L233 HydrophobicContact CG-CD1 4.3Å; R177-L233 HydrophobicContact CG-CD2 4.16Å; R177-L233 HydrophobicContact CG-CG 4.44Å; F205-L233 HydrophobicContact CD1-CD1 3.85Å; F205-L233 HydrophobicContact CE1-CD1 3.83Å; L233-S240 VanDerWaalsContact O-CB 3.27Å; L233-S240 WeakPolarHBondContact O-CB 3.35Å; L233-S240 PolarHBondContact O-OG 3.28Å
234G87.6Confident95.3Very high0 Ų042.1 Ų42.10%024%0.237CC..  trans-145.585.7172.900000110R128 T129 N131R128-G234 CarbonylContact O-C 3.51Å; R128-G234 WeakPolarHBondContact O-CA 3.16Å; T129-G234 CarbonylContact C-O 3.58Å; N131-G234 PolarHBondContact ND2-O 2.97Å; N131-G234 PolarHBondContact OD1-N 3.44Å; N131-G234 PolarHBondContact OD1-O 3.35Å
235M84.4Confident95.3Very high104 Ų10446 Ų4651%0.51225%0.254SS..BIsolated β-bridgetrans-147.1163.318062.8-174.1-68.500111.6G237 A238 N239M235-G237 PolarHBondContact O-N 2.81Å; M235-A238 HydrophobicContact CG-CB 4.05Å; M235-A238 PolarHBondContact N-O 2.58Å; M235-A238 CarbonylContact O-C 3.11Å; M235-A238 PolarHBondContact O-N 3.47Å; M235-N239 PolarHBondContact O-N 3.01Å; M235-N239 PolarHBondContact O-ND2 2.83Å
236E84.3Confident95.2Very high184 Ų18445.7 Ų45.786%0.8625%0.253SS*.THydrogen-bonded Turntrans-58.5130.8170.9-165.1173.2-178.700109.9A238E236-A238 VanDerWaalsContact C-N 3.32Å; E236-A238 PolarHBondContact O-N 3.08Å
237G88.9Confident94.9Very high79 Ų7948.3 Ų48.381%0.81427%0.267SS*.THydrogen-bonded Turntrans86-12.6-172.800000115.6M235M235-G237 PolarHBondContact O-N 2.81Å
238A92.9Very high94.4Very high18 Ų1854.1 Ų54.115%0.14929%0.291CS..BIsolated β-bridgetrans-148.670.8174.700000110.3S175 M235 E236S175-A238 VanDerWaalsContact OG-C 3.28Å; M235-A238 HydrophobicContact CG-CB 4.05Å; M235-A238 PolarHBondContact N-O 2.58Å; M235-A238 CarbonylContact O-C 3.11Å; M235-A238 PolarHBondContact O-N 3.47Å; E236-A238 VanDerWaalsContact C-N 3.32Å; E236-A238 PolarHBondContact O-N 3.08Å
239N96.4Very high93.8Very high84 Ų8452.1 Ų52.145%0.44928%0.283SS..  trans-79.2140-173.6-60.6101.9000112.5S175 M235S175-N239 PolarHBondContact OG-O 2.82Å; S175-N239 VanDerWaalsContact OG-O 3.07Å; M235-N239 PolarHBondContact O-N 3.01Å; M235-N239 PolarHBondContact O-ND2 2.83Å
240S98.3Very high93.2Very high0 Ų050.4 Ų50.40%028%0.278CS..EExtended strand (participates in β ladder)trans-106.7129.9160.6-68.50000109.7T127 R128 H173 A174 S175 L232 L233T127-S240 CarbonylContact C-O 3.5Å; T127-S240 WeakPolarHBondContact CA-O 3.4Å; R128-S240 PolarHBondContact N-O 3.09Å; H173-S240 CarbonylContact O-C 3.42Å; H173-S240 VanDerWaalsContact O-CA 3.25Å; H173-S240 WeakPolarHBondContact O-CA 3.16Å; A174-S240 WeakPolarHBondContact CA-OG 3.18Å; S175-S240 PolarHBondContact N-OG 3.41Å; L232-S240 WeakPolarHBondContact CD1-OG 3.5Å; L233-S240 VanDerWaalsContact O-CB 3.27Å; L233-S240 WeakPolarHBondContact O-CB 3.35Å; L233-S240 PolarHBondContact O-OG 3.28Å
241I98.7Very high92Very high39 Ų3956.5 Ų56.520%0.231%0.307CS..EExtended strand (participates in β ladder)trans-129.2142.1-175.6-172.1170.8000110.6A126 T127 I146 Y172 H173A126-I241 CarbonylContact O-C 3.57Å; A126-I241 WeakPolarHBondContact O-CA 3.43Å; T127-I241 HydrophobicContact CG2-CB 3.97Å; T127-I241 HydrophobicContact CG2-CD1 4.3Å; T127-I241 HydrophobicContact CG2-CG1 4.07Å; I146-I241 HydrophobicContact CD1-CD1 4.03Å; Y172-I241 CarbonylContact C-O 3.49Å; Y172-I241 WeakPolarHBondContact CA-O 3.5Å; Y172-I241 VanDerWaalsContact CB-O 3.23Å; Y172-I241 WeakPolarHBondContact CB-O 3.14Å; H173-I241 HydrophobicContact CB-CG2 3.87Å; H173-I241 PolarHBondContact N-O 3.48Å; H173-I241 PolarHBondContact O-N 3.41Å
242F98.9Very high90.3Very high2 Ų264.7 Ų64.71%0.00934%0.342CS..EExtended strand (participates in β ladder)trans-125.6132.5169.3179.3-138.9000109.5F124 S125 A126 F142 Y153 F170 T171 V222 L224F124-F242 AromaticContact CE2-CD1 3.68Å; F124-F242 HydrophobicContact CE2-CD1 3.68Å; F124-F242 AromaticContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CE1 3.94Å; F124-F242 HydrophobicContact CE2-CG 4.1Å; F124-F242 WeakPolarHBondContact CE2-O 3.48Å; F124-F242 AromaticContact CZ-CD1 3.84Å; F124-F242 HydrophobicContact CZ-CD1 3.84Å; F124-F242 AromaticContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE1 3.62Å; F124-F242 HydrophobicContact CZ-CE2 4.37Å; F124-F242 HydrophobicContact CZ-CG 4.31Å; F124-F242 AromaticContact CZ-CZ 3.9Å; F124-F242 HydrophobicContact CZ-CZ 3.9Å; S125-F242 WeakPolarHBondContact CA-O 3.07Å; A126-F242 PolarHBondContact N-O 2.96Å; A126-F242 PolarHBondContact O-N 2.69Å; F142-F242 HydrophobicContact CD1-CB 3.88Å; F142-F242 HydrophobicContact CD2-CB 3.66Å; F142-F242 HydrophobicContact CD2-CD1 4.27Å; F142-F242 HydrophobicContact CD2-CG 4.38Å; F142-F242 HydrophobicContact CE1-CB 3.83Å; F142-F242 HydrophobicContact CE2-CB 3.63Å; F142-F242 HydrophobicContact CE2-CD1 4.39Å; F142-F242 HydrophobicContact CE2-CG 4.26Å; F142-F242 HydrophobicContact CG-CB 3.82Å; F142-F242 HydrophobicContact CZ-CB 3.72Å; Y153-F242 HydrophobicContact CE2-CD1 4.08Å; Y153-F242 HydrophobicContact CE2-CE1 4.4Å; F170-F242 HydrophobicContact CB-CE2 4.18Å; F170-F242 HydrophobicContact CD1-CE2 4.16Å; F170-F242 AromaticContact CD1-CZ 3.88Å; F170-F242 HydrophobicContact CD1-CZ 3.88Å; T171-F242 WeakPolarHBondContact O-CD2 3.5Å; V222-F242 HydrophobicContact CG1-CZ 4.41Å; L224-F242 HydrophobicContact CD1-CB 4.24Å; L224-F242 HydrophobicContact CD1-CD2 3.85Å; L224-F242 HydrophobicContact CD1-CE2 4.33Å; L224-F242 HydrophobicContact CD1-CG 3.97Å; L224-F242 HydrophobicContact CD2-CE2 4.34Å; L224-F242 HydrophobicContact CG-CD1 4.47Å; L224-F242 HydrophobicContact CG-CD2 4.15Å; L224-F242 HydrophobicContact CG-CE1 4.47Å; L224-F242 HydrophobicContact CG-CE2 4.16Å; L224-F242 HydrophobicContact CG-CG 4.32Å; L224-F242 HydrophobicContact CG-CZ 4.32Å
243S98.9Very high88Confident15 Ų1568.3 Ų68.311%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-136.6154.4-174.6-61.30000111.2F124 S125 F170 T171F124-S243 CarbonylContact O-C 3.57Å; F124-S243 WeakPolarHBondContact O-CA 3.37Å; F124-S243 WeakPolarHBondContact O-CB 3.4Å; S125-S243 WeakPolarHBondContact CB-OG 3.36Å; S125-S243 PolarHBondContact OG-OG 2.92Å; F170-S243 WeakPolarHBondContact CA-O 3.25Å; T171-S243 PolarHBondContact N-O 2.89Å; T171-S243 PolarHBondContact O-N 2.88Å; T171-S243 VanDerWaalsContact O-O 3.08Å
244G98.7Very high87.7Confident1 Ų170.8 Ų70.81%0.0139%0.389CS..EExtended strand (participates in β ladder)trans-165.4152.1167.900000112.8A123 F124 Y169A123-G244 CarbonylContact C-O 3.6Å; A123-G244 VanDerWaalsContact CA-O 3.32Å; A123-G244 WeakPolarHBondContact CA-O 3.44Å; F124-G244 VanDerWaalsContact CD1-O 3.32Å; F124-G244 WeakPolarHBondContact CD1-O 3.31Å; F124-G244 VanDerWaalsContact CE1-N 3.29Å; F124-G244 PolarHBondContact N-O 3.29Å; F124-G244 PolarHBondContact O-N 3.07Å; Y169-G244 CarbonylContact O-C 3.59Å; Y169-G244 WeakPolarHBondContact O-CA 3.37Å
245F98.1Very high87.7Confident84 Ų8474.5 Ų74.537%0.36841%0.409SS..EExtended strand (participates in β ladder)trans-150.5153-177.655.4-88.3000112I122 A123 Y168 Y169 L247I122-F245 CarbonylContact O-C 3.48Å; I122-F245 VanDerWaalsContact O-CA 3.24Å; I122-F245 WeakPolarHBondContact O-CA 3.47Å; I122-F245 WeakPolarHBondContact O-CB 3.4Å; A123-F245 HydrophobicContact CB-CB 3.86Å; Y168-F245 WeakPolarHBondContact CA-O 3.24Å; Y169-F245 AromaticContact CD1-CE1 3.62Å; Y169-F245 HydrophobicContact CD1-CE1 3.62Å; Y169-F245 AromaticContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CD1-CZ 3.65Å; Y169-F245 HydrophobicContact CE1-CE1 4.5Å; Y169-F245 HydrophobicContact CG-CE1 4.47Å; Y169-F245 HydrophobicContact CG-CZ 4.28Å; Y169-F245 PolarHBondContact N-O 2.93Å; Y169-F245 PolarHBondContact O-N 2.99Å; F245-L247 HydrophobicContact CD2-CD2 3.88Å; F245-L247 HydrophobicContact CE2-CD2 3.38Å; F245-L247 HydrophobicContact CZ-CD2 4.34Å
246L95.8Very high87.9Confident22 Ų2272.8 Ų72.812%0.11540%0.404CS..EExtended strand (participates in β ladder)trans-72.4128.4174.4179.769000109.4Q120 I122 V164 Y168 P249Q120-L246 HydrophobicContact CB-CD2 4.26Å; I122-L246 HydrophobicContact CB-CB 4.08Å; I122-L246 PolarHBondContact O-N 2.95Å; V164-L246 HydrophobicContact CG1-CD2 4.26Å; Y168-L246 HydrophobicContact CD1-CB 4.09Å; Y168-L246 HydrophobicContact CD1-CD1 4.4Å; Y168-L246 HydrophobicContact CD2-CD1 4.06Å; Y168-L246 HydrophobicContact CE1-CB 3.65Å; Y168-L246 HydrophobicContact CE1-CD1 3.93Å; Y168-L246 HydrophobicContact CE1-CG 4.38Å; Y168-L246 HydrophobicContact CE2-CD1 3.56Å; Y168-L246 HydrophobicContact CG-CD1 4.45Å; Y168-L246 VanDerWaalsContact CZ-CD1 3.5Å; L246-P249 HydrophobicContact CD2-CB 4.08Å; L246-P249 HydrophobicContact CD2-CG 4.46Å
247L93Very high88.1Confident57 Ų5766.3 Ų66.330%0.29838%0.377SS..EExtended strand (participates in β ladder)trans-87.9-57.1172.4-59.7176.4000110.1L167 V213 F245L167-L247 HydrophobicContact CB-CB 4.35Å; L167-L247 WeakPolarHBondContact O-CB 3.49Å; L167-L247 PolarHBondContact O-N 3.21Å; V213-L247 HydrophobicContact CG1-CD1 4.03Å; V213-L247 HydrophobicContact CG2-CD1 4.33Å; F245-L247 HydrophobicContact CD2-CD2 3.88Å; F245-L247 HydrophobicContact CE2-CD2 3.38Å; F245-L247 HydrophobicContact CZ-CD2 4.34Å
248F86.9Confident88Confident138 Ų13865.5 Ų65.561%0.60535%0.349SS*.EExtended strand (participates in β ladder)trans-141.9119.2-176.5-53.5-66.7000109G166 L167G166-F248 WeakPolarHBondContact CA-O 3.42Å; L167-F248 HydrophobicContact CD1-CD2 4.21Å; L167-F248 PolarHBondContact N-O 3.4Å; L167-F248 PolarHBondContact O-N 3.03Å
249P86.4Confident87.7Confident55 Ų5568.7 Ų68.736%0.35736%0.363SS..EExtended strand (participates in β ladder)trans-65.9150.116927.5-31.1000110.3V164 L246V164-P249 HydrophobicContact CG1-CB 4.02Å; L246-P249 HydrophobicContact CD2-CB 4.08Å; L246-P249 HydrophobicContact CD2-CG 4.46Å
250D83.9Confident87.1Confident46 Ų4667.6 Ų67.625%0.24636%0.357CS..  trans-67.2139.4168.2-73.4-36.8000109.6P165 G166 K215 E252 A253P165-D250 HydrophobicContact CB-CB 4.34Å; P165-D250 WeakPolarHBondContact CB-OD2 3.36Å; P165-D250 PolarHBondContact O-N 3.4Å; G166-D250 PolarHBondContact N-OD2 3.03Å; K215-D250 WeakPolarHBondContact CE-OD1 3.37Å; K215-D250 WeakPolarHBondContact CE-OD2 3.46Å; K215-D250 IonicContact NZ-OD1 3.68Å; K215-D250 PolarHBondContact NZ-OD1 3.42Å; K215-D250 IonicContact NZ-OD2 3.73Å; D250-E252 PolarHBondContact O-N 3.09Å; D250-A253 PolarHBondContact O-N 3.48Å
251M72Confident86.2Confident194 Ų19472.8 Ų72.896%0.95638%0.384SS*.THydrogen-bonded Turntrans-66.6-6.9-171-67.4-76.1-74.300114.7
252E60.8Low85.2Confident195 Ų19575.6 Ų75.691%0.91140%0.399SS*.THydrogen-bonded Turntrans-111.69.1-174.9-65.3-178.4168.900113.6D250D250-E252 PolarHBondContact O-N 3.09Å
253A48.9Very low84Confident98 Ų9882.3 Ų82.381%0.8144%0.435SS*.  trans-87.30-175.600000114.8D250D250-A253 PolarHBondContact O-N 3.48Å

Retrieved 253 of 253 residues in 315 ms (Link to these results)