A0A061HWF4_CRIGR Loading...

Zinc finger protein 580

AlphaFold DB , UniProt , Accession A0A061HWF4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113837240, Length 172 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
1M44.6Very low50.8Low231 Ų231153.9 Ų153.9100%1.13883%0.83SS**  087.40-73.3-66151.400108.2
2L46.1Very low51.1Low171 Ų171160.8 Ų160.890%0.89584%0.835SS**  trans-93.9109.2177.4-70.1170000107.9
3L47.9Very low50.5Low166 Ų166157.1 Ų157.187%0.86983%0.831SS**PPolyproline II helixtrans-76.6120.7173.8-76.592.9000109.3
4L45.9Very low50.3Low157 Ų157153.7 Ų153.782%0.82283%0.827SS**PPolyproline II helixtrans-72.5143.4167.6-99.173.1000110.2
5P57.7Low50.5Low111 Ų111150.1 Ų150.172%0.72182%0.818SS**PPolyproline II helixtrans-70.4153.6174.129.1-33.1000111.9
6P55.5Low50.4Low128 Ų128148.3 Ų148.383%0.83182%0.816SS**PPolyproline II helixtrans-69.2143.4-178.727.9-33.2000112.1
7R51.8Low50.4Low219 Ų219150.7 Ų150.783%0.82682%0.82SS**PPolyproline II helixtrans-66.3141.7177.1-85-179.8170.8-149.5-1.4111.4
8P54.9Low50.3Low104 Ų104149.2 Ų149.268%0.67582%0.816SS**PPolyproline II helixtrans-69.4151.3173.728.9-33000111.3
9P58.2Low50.2Low128 Ų128150.7 Ų150.783%0.83182%0.819SS**PPolyproline II helixtrans-70.1138.5-18028.8-33000111.1
10H50.1Low49.8Very low154 Ų154150.2 Ų150.271%0.71382%0.816SS**PPolyproline II helixtrans-69.9140.6174.4-54.7-75000110.3R12H10-R12 PolarHBondContact O-N 3.39Å
11P46.3Very low49.6Very low124 Ų124148.1 Ų148.181%0.80581%0.81SS**PPolyproline II helixtrans-64.5130.7173.826.3-31.6000109.5S13P11-S13 PolarHBondContact O-N 3.22Å
12R53.9Low49.7Very low236 Ų236142.7 Ų142.789%0.89179%0.792SS**PPolyproline II helixtrans-60.5120.7172.7-82176.4159.9-124.7-0.6108.8H10 S14H10-R12 PolarHBondContact O-N 3.39Å; R12-S14 PolarHBondContact O-N 3.3Å
13S43.3Very low49.6Very low113 Ų113139.8 Ų139.879%0.7978%0.784SS**  trans-54.7104.5168.7176.20000109.1P11 S15P11-S13 PolarHBondContact O-N 3.22Å; S13-S15 PolarHBondContact O-N 3.11Å
14S48.7Very low49.2Very low110 Ų110137.7 Ų137.777%0.76978%0.78SS**  trans-81.8111.2167.4-63.40000106.7R12R12-S14 PolarHBondContact O-N 3.3Å
15S52.8Low49.2Very low100 Ų100140 Ų14070%0.69978%0.783SS**PPolyproline II helixtrans-62.4137.9170.8-68.80000108.7S13 E17S13-S15 PolarHBondContact O-N 3.11Å; S15-E17 PolarHBondContact O-N 3.18Å
16P49.2Very low48.6Very low120 Ų120141 Ų14178%0.77979%0.787SS**PPolyproline II helixtrans-67.2118.3172.927.2-30.9000108.7V18P16-V18 PolarHBondContact O-N 3.19Å
17E50.5Low48Very low190 Ų190140 Ų14089%0.88878%0.781SS**PPolyproline II helixtrans-56.9122.8165.3-85.9-122.79400108.8S15 M19S15-E17 PolarHBondContact O-N 3.18Å; E17-M19 PolarHBondContact O-N 2.97Å
18V49.1Very low47.5Very low124 Ų124135.4 Ų135.475%0.75278%0.779SS**  trans-75.7103.2173.3-1790000106.3P16 D20P16-V18 PolarHBondContact O-N 3.19Å; V18-D20 PolarHBondContact O-N 3.35Å; V18-D20 VanDerWaalsContact O-N 3.11Å
19M47Very low46.7Very low177 Ų177140 Ų14087%0.87279%0.789SS**  trans-68.8105.4172-165.582.667.500108.2E17E17-M19 PolarHBondContact O-N 2.97Å
20D41.8Very low46Very low140 Ų140139.8 Ų139.875%0.74979%0.788SS**PPolyproline II helixtrans-57.2129.3174.1-93.9-72.4000110.5V18V18-D20 PolarHBondContact O-N 3.35Å; V18-D20 VanDerWaalsContact O-N 3.11Å
21P46.1Very low45.9Very low107 Ų107141.9 Ų141.970%0.69580%0.795SS**PPolyproline II helixtrans-68144.3177.227.5-32.9000110.9
22P46.2Very low45.5Very low117 Ų117140.9 Ų140.976%0.7680%0.797SS**PPolyproline II helixtrans-65.6148.2-177.227.2-34.6000111.7
23P45.1Very low44.6Very low111 Ų111136.8 Ų136.872%0.72179%0.793SS**PPolyproline II helixtrans-65.1143.9-178.226.7-34.1000111.5K25P23-K25 PolarHBondContact O-N 2.95Å
24P39.2Very low44.7Very low122 Ų122134.8 Ų134.879%0.79279%0.79SS**PPolyproline II helixtrans-65.3125.5177.926.1-32.4000110.3T26P24-T26 PolarHBondContact O-N 3.19Å
25K45.1Very low44.5Very low205 Ų205135.8 Ų135.889%0.89179%0.794SS**  trans-65114.3175.8-65.8-177.3179.1-174.80109.6P23P23-K25 PolarHBondContact O-N 2.95Å
26T46.3Very low44.2Very low131 Ų131136.5 Ų136.580%0.80480%0.799SS**PPolyproline II helixtrans-75.9128.6172.232.90000110.4P24P24-T26 PolarHBondContact O-N 3.19Å
27P41.9Very low43.6Very low107 Ų107136.5 Ų136.570%0.69580%0.802SS**PPolyproline II helixtrans-73.1147.2171.628.6-31.3000110.6
28P41.6Very low43.7Very low123 Ų123134.3 Ų134.380%0.79980%0.802SS**PPolyproline II helixtrans-72.9138.6-174.129.4-32.9000111.4
29F38.3Very low43Very low201 Ų201133.4 Ų133.488%0.88280%0.801SS**PPolyproline II helixtrans-63.9130172.1-80.6-99.4000110.4K31F29-K31 PolarHBondContact O-N 3.46Å
30P43Very low43.1Very low123 Ų123131.2 Ų131.280%0.79980%0.803SS**PPolyproline II helixtrans-71.8123.4167.127.9-29.5000109.2
31K48.2Very low43Very low199 Ų199129.4 Ų129.487%0.86580%0.801SS**PPolyproline II helixtrans-68125.6165.2-81.1175.8171.5179.60108F29F29-K31 PolarHBondContact O-N 3.46Å
32A38.4Very low43Very low103 Ų103131.1 Ų131.185%0.85181%0.809SS**  trans-93.9105.2169.400000108.6
33D35Very low42.7Very low150 Ų150130.4 Ų130.480%0.80281%0.813SS**  trans-60.1138.3159.2-69.6-83.8000109.9
34G46Very low42.6Very low71 Ų71131.5 Ų131.573%0.73282%0.818SS**  trans-66.6163.1170.200000111.6
35P42.9Very low42.5Very low130 Ų130130.4 Ų130.484%0.84482%0.819SS**  -141149.6106.931.9-16.8000115.2
36S46.4Very low42.1Very low116 Ų116123 Ų12381%0.81180%0.8SS**  trans-50.6136.2158.6-49.20000112
37S36.9Very low41.5Very low119 Ų119123 Ų12383%0.83280%0.803SS**  trans-159.7121.8146-80.60000110.1
38T52.2Low41.3Very low145 Ų145128.6 Ų128.689%0.8981%0.81SS**  trans-71.2128.1173.345.70000110.6
39S36.1Very low41.1Very low104 Ų104127.9 Ų127.973%0.72781%0.805SS**  trans-157.6108.2154.157.80000110S41S39-S41 PolarHBondContact O-N 3.42Å
40S48.7Very low41.2Very low131 Ų131122.3 Ų122.392%0.91679%0.79SS**  trans-57.3125166-590000109.2
41S39.8Very low41.5Very low103 Ų103125.5 Ų125.572%0.7279%0.786SS**  trans-144.8127.6167.4-69.40000108.2S39 A43S39-S41 PolarHBondContact O-N 3.42Å; S41-A43 PolarHBondContact O-N 3.32Å
42V46.5Very low41.5Very low143 Ų143120.5 Ų120.587%0.86777%0.768SS**  trans-44.2117.2174.3-1040000110.4V44V42-V44 PolarHBondContact O-N 3.28Å
43A38.6Very low42.2Very low102 Ų102116.4 Ų116.484%0.84374%0.736SS**  trans-7394.617700000109.5S41 A45S41-A43 PolarHBondContact O-N 3.32Å; A43-A45 PolarHBondContact O-N 3.23Å
44V42.8Very low42.7Very low133 Ų133118.3 Ų118.381%0.80673%0.732SS**  trans-63.9118.8158.6176.10000106.3V42 G46V42-V44 PolarHBondContact O-N 3.28Å; V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 3.48Å
45A38.9Very low43.3Very low100 Ų100119.3 Ų119.383%0.82672%0.717SS**  trans-64.290.5175.900000109.2A43A43-A45 PolarHBondContact O-N 3.23Å
46G36Very low43.6Very low48 Ų48118.6 Ų118.650%0.49571%0.706SS.*PPolyproline II helixtrans-61.2160.7168.100000111V44 R48V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 3.48Å; G46-R48 PolarHBondContact O-N 2.93Å
47P33.2Very low44Very low132 Ų132116.1 Ų116.186%0.85768%0.683SS**PPolyproline II helixtrans-52127.6177.821.5-31.6000109.6
48R38.5Very low44.6Very low224 Ų224116 Ų11685%0.84567%0.672SS**PPolyproline II helixtrans-53126.9177.6-79.2177168.9-174.8-1.9108.2G46G46-R48 PolarHBondContact O-N 2.93Å
49P37.7Very low44.3Very low108 Ų108111.9 Ų111.970%0.70164%0.644SS**PPolyproline II helixtrans-60144.4176.824.3-32.4000109.4R51P49-R51 PolarHBondContact O-N 3.02Å
50P40.6Very low44.6Very low85 Ų85111.7 Ų111.755%0.55265%0.649SS**PPolyproline II helixtrans-56.2129.8-179.521.9-31.7000109.6L52P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.36Å
51R47.9Very low44.7Very low189 Ų189112 Ų11271%0.71364%0.64SS**  trans-69.290.7175.1-74.1-171.8176.2-139.20.5108.6P49 G53P49-R51 PolarHBondContact O-N 3.02Å; R51-G53 PolarHBondContact O-N 3.37Å; R51-G53 VanDerWaalsContact O-N 3.11Å
52L49.3Very low45.2Very low94 Ų94109.4 Ų109.449%0.49263%0.63SS.*EExtended strand (participates in β ladder)trans-68.7103.8170.9-77.4144.7000108.9P50 R54 T68 Q70P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.36Å; L52-R54 PolarHBondContact O-N 3.39Å; L52-T68 HydrophobicContact CD2-CG2 4.43Å; L52-Q70 HydrophobicContact CD2-CG 4.09Å
53G51.3Low45.2Very low17 Ų17106.4 Ų106.418%0.17561%0.612CS.*EExtended strand (participates in β ladder)trans-68.9108170.100000109.4R51 H55 V69R51-G53 PolarHBondContact O-N 3.37Å; R51-G53 VanDerWaalsContact O-N 3.11Å; G53-H55 PolarHBondContact O-CD2 3.25Å; G53-H55 PolarHBondContact O-N 3.39Å; G53-V69 PolarHBondContact N-O 3.08Å
54R45.9Very low45.6Very low191 Ų191105.4 Ų105.472%0.72160%0.597SS**EExtended strand (participates in β ladder)trans-81.6103.8170-81.6174.669.4-175.21.3108.3L52 T68L52-R54 PolarHBondContact O-N 3.39Å; R54-T68 HydrophobicContact CG-CG2 4.26Å
55H60.3Low45.9Very low91 Ų91104.8 Ų104.842%0.42158%0.581SS.*EExtended strand (participates in β ladder)trans-97.9121.7175.3-66.7-84.1000109.6G53 L57 T66 Y67G53-H55 PolarHBondContact O-CD2 3.25Å; G53-H55 PolarHBondContact O-N 3.39Å; H55-L57 HydrophobicContact CB-CD1 4.27Å; H55-T66 WeakPolarHBondContact O-CA 3.49Å; H55-Y67 HydrophobicContact CB-CE1 3.96Å
56L47.4Very low46.2Very low116 Ų116103.3 Ų103.361%0.60756%0.561SS**EExtended strand (participates in β ladder)trans-86.7117.9179-168.168.1000109.1P64 T66L56-P64 HydrophobicContact CD1-CB 3.6Å; L56-P64 HydrophobicContact CG-CB 4.18Å; L56-T66 HydrophobicContact CD1-CG2 3.55Å
57L55.3Low46.7Very low63 Ų63104.9 Ų104.933%0.3355%0.553SS.*EExtended strand (participates in β ladder)trans-111.7138.2172.7-80.282.6000108.7H55 P64 Y65 Y67H55-L57 HydrophobicContact CB-CD1 4.27Å; L57-P64 CarbonylContact O-C 3.57Å; L57-P64 WeakPolarHBondContact O-CA 3.29Å; L57-Y65 HydrophobicContact CB-CD1 4.22Å; L57-Y65 HydrophobicContact CB-CE1 3.72Å; L57-Y65 HydrophobicContact CB-CE2 4.12Å; L57-Y65 WeakPolarHBondContact CD2-OH 3.33Å; L57-Y65 PolarHBondContact N-O 3.07Å; L57-Y65 PolarHBondContact O-N 3.27Å; L57-Y67 HydrophobicContact CD1-CD1 3.72Å; L57-Y67 HydrophobicContact CD1-CE1 3.49Å; L57-Y67 VanDerWaalsContact CD1-CE1 3.49Å
58I49.6Very low47.1Very low118 Ų118102.8 Ų102.861%0.60554%0.538SS*.EExtended strand (participates in β ladder)trans-103.1125.7177.7-55.6-176.4000107.2G62I58-G62 VanDerWaalsContact CG2-CA 3.43Å
59D46.8Very low47.9Very low58 Ų5894.5 Ų94.531%0.3151%0.512SS..  trans-74.8177.2175.1821000112N61 G62 V63D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 VanDerWaalsContact O-N 3.09Å; D59-N61 VanDerWaalsContact OD1-C 3.31Å; D59-N61 VanDerWaalsContact OD1-CA 3.28Å; D59-N61 WeakPolarHBondContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CB 3.25Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-G62 PolarHBondContact O-N 3.36Å; D59-G62 PolarHBondContact OD1-N 3.32Å; D59-V63 PolarHBondContact N-O 3.22Å; D59-V63 WeakPolarHBondContact OD1-CB 3.42Å; D59-V63 PolarHBondContact OD1-N 3Å
60A41.8Very low48Very low99 Ų9996.2 Ų96.282%0.81851%0.511SS*.THydrogen-bonded Turntrans-66.1-10.2-17900000114.2
61N50.3Low48.4Very low137 Ų13796.9 Ų96.973%0.73351%0.509SS*.THydrogen-bonded Turntrans-104.15.4177.1-52.2-57.1000111.9D59 V63D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 VanDerWaalsContact O-N 3.09Å; D59-N61 VanDerWaalsContact OD1-C 3.31Å; D59-N61 VanDerWaalsContact OD1-CA 3.28Å; D59-N61 WeakPolarHBondContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CB 3.25Å; D59-N61 PolarHBondContact OD1-N 3.45Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 HydrophobicContact CB-CG2 4.24Å
62G50.9Low48.2Very low49 Ų4995.7 Ų95.751%0.50551%0.512SS..SBendtrans82.94.6-17700000114.2I58 D59 P64I58-G62 VanDerWaalsContact CG2-CA 3.43Å; D59-G62 PolarHBondContact O-N 3.36Å; D59-G62 PolarHBondContact OD1-N 3.32Å; G62-P64 WeakPolarHBondContact O-CD 3.47Å
63V46.2Very low48.1Very low81 Ų8199.1 Ų99.149%0.49153%0.525SS..  trans-80.3119.5-177.2-173.70000109.2D59 N61D59-V63 PolarHBondContact N-O 3.22Å; D59-V63 WeakPolarHBondContact OD1-CB 3.42Å; D59-V63 PolarHBondContact OD1-N 3Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 HydrophobicContact CB-CG2 4.24Å
64P47.8Very low47.6Very low81 Ų81106 Ų10653%0.52655%0.553SS.*EExtended strand (participates in β ladder)trans-74.9129.117627.1-29.5000110.5L56 L57 G62L56-P64 HydrophobicContact CD1-CB 3.6Å; L56-P64 HydrophobicContact CG-CB 4.18Å; L57-P64 CarbonylContact O-C 3.57Å; L57-P64 WeakPolarHBondContact O-CA 3.29Å; G62-P64 WeakPolarHBondContact O-CD 3.47Å
65Y48Very low47.3Very low120 Ų120101.6 Ų101.647%0.47155%0.549SS..EExtended strand (participates in β ladder)trans-123.1142.4163.873.7-86.8000109.9L57L57-Y65 HydrophobicContact CB-CD1 4.22Å; L57-Y65 HydrophobicContact CB-CE1 3.72Å; L57-Y65 HydrophobicContact CB-CE2 4.12Å; L57-Y65 WeakPolarHBondContact CD2-OH 3.33Å; L57-Y65 PolarHBondContact N-O 3.07Å; L57-Y65 PolarHBondContact O-N 3.27Å
66T44.6Very low46.6Very low68 Ų68109.4 Ų109.442%0.41758%0.575SS.*EExtended strand (participates in β ladder)trans-108.4129.9176.756.90000109.3H55 L56H55-T66 WeakPolarHBondContact O-CA 3.49Å; L56-T66 HydrophobicContact CD1-CG2 3.55Å
67Y47.1Very low46.3Very low81 Ų81106.7 Ų106.732%0.31858%0.575SS.*EExtended strand (participates in β ladder)trans-109.4140.2162.281.5-74.6000108.7H55 L57 V69 Q110H55-Y67 HydrophobicContact CB-CE1 3.96Å; L57-Y67 HydrophobicContact CD1-CD1 3.72Å; L57-Y67 HydrophobicContact CD1-CE1 3.49Å; L57-Y67 VanDerWaalsContact CD1-CE1 3.49Å; Y67-V69 HydrophobicContact CD2-CG2 4.07Å; Y67-V69 HydrophobicContact CE2-CB 4.2Å; Y67-V69 HydrophobicContact CE2-CG1 3.89Å; Y67-V69 HydrophobicContact CE2-CG2 3.42Å; Y67-V69 VanDerWaalsContact CE2-CG2 3.42Å; Y67-Q110 PolarHBondContact OH-NE2 3.39Å
68T42.5Very low45.4Very low89 Ų89108.8 Ų108.855%0.54659%0.592SS.*EExtended strand (participates in β ladder)trans-93122176.650.50000108.8L52 R54L52-T68 HydrophobicContact CD2-CG2 4.43Å; R54-T68 HydrophobicContact CG-CG2 4.26Å
69V54.2Low45.1Very low50 Ų50109.2 Ų109.230%0.30360%0.603SS.*EExtended strand (participates in β ladder)trans-104.3127.1169.2-1220000107.9G53 Y67 L71G53-V69 PolarHBondContact N-O 3.08Å; Y67-V69 HydrophobicContact CD2-CG2 4.07Å; Y67-V69 HydrophobicContact CE2-CB 4.2Å; Y67-V69 HydrophobicContact CE2-CG1 3.89Å; Y67-V69 HydrophobicContact CE2-CG2 3.42Å; Y67-V69 VanDerWaalsContact CE2-CG2 3.42Å; V69-L71 PolarHBondContact O-N 2.77Å; V69-L71 VanDerWaalsContact O-N 3.11Å
70Q41Very low45Very low143 Ų143115.1 Ų115.167%0.66863%0.628SS**EExtended strand (participates in β ladder)trans-69.4101.6163.6-74.5172.3-30.300106.6L52 E72L52-Q70 HydrophobicContact CD2-CG 4.09Å; Q70-E72 PolarHBondContact O-N 3.43Å
71L48.7Very low45.3Very low99 Ų99122.1 Ų122.152%0.51863%0.634SS.*  trans-79.594.3165.5-70169.2000106.1V69 E73V69-L71 PolarHBondContact O-N 2.77Å; V69-L71 VanDerWaalsContact O-N 3.11Å; L71-E73 PolarHBondContact O-N 3.42Å; L71-E73 VanDerWaalsContact O-N 3.15Å
72E43.1Very low44.8Very low165 Ų165124.9 Ų124.977%0.77164%0.642SS**  trans-69.4105.7163.5-61.4-167.8128.500106.5Q70 E74Q70-E72 PolarHBondContact O-N 3.43Å; E72-E74 PolarHBondContact O-N 3.13Å
73E47Very low44.3Very low165 Ų165127.2 Ų127.277%0.77166%0.657SS**  trans-67.587.8167.4-79.7-165.298.300107.7L71L71-E73 PolarHBondContact O-N 3.42Å; L71-E73 VanDerWaalsContact O-N 3.15Å
74E41.2Very low44.1Very low162 Ų162129.2 Ų129.276%0.75767%0.669SS**  trans-67138.4166.6-85.7-67.710000109.7E72E72-E74 PolarHBondContact O-N 3.13Å
75P40.3Very low43.9Very low99 Ų99132 Ų13264%0.64369%0.687SS**  trans-63.4146.4-161.824.4-32.9000111.8G77P75-G77 PolarHBondContact O-N 3.36Å
76R44.3Very low43.9Very low254 Ų254130.1 Ų130.196%0.95870%0.704SS**  trans-41107.9166.7-95.9175.2-94.9-164.9-6.5109.2
77G42Very low43.7Very low59 Ų59134.5 Ų134.561%0.60872%0.72SS**  trans-55.6162.9170.200000111.1P75P75-G77 PolarHBondContact O-N 3.36Å
78P36.8Very low43.7Very low107 Ų107136.1 Ų136.170%0.69574%0.74SS**SBendtrans-56.4150.7-168.523.3-32.9000111.8Q80P78-Q80 PolarHBondContact O-N 2.78Å
79P43.1Very low44Very low128 Ų128134.3 Ų134.383%0.83174%0.74SS**  trans-57.2115-178.424.2-31.5000108.5R81P79-R81 PolarHBondContact O-N 3.2Å
80Q44.2Very low43.9Very low181 Ų181138.1 Ų138.185%0.84677%0.766SS**PPolyproline II helixtrans-61.7127.3178.8-68.6-84.8-34.600107.9P78P78-Q80 PolarHBondContact O-N 2.78Å
81R47.3Very low44.4Very low247 Ų247143.1 Ų143.193%0.93278%0.778SS**PPolyproline II helixtrans-50.7144.4178.6-74.6175.3158.9-156.4-5.7111.1P79P79-R81 PolarHBondContact O-N 3.2Å
82E40.6Very low45.2Very low195 Ų195148.1 Ų148.191%0.91180%0.796SS**PPolyproline II helixtrans-48.2135.8-174.7-65.8176.3104.400113.1
83A39.4Very low46.6Very low98 Ų98141.8 Ų141.881%0.8178%0.775SS**PPolyproline II helixtrans-71.6127.7-178.100000111.4
84T42.4Very low48Very low122 Ų122138.9 Ų138.975%0.74876%0.757SS**PPolyproline II helixtrans-79.1125.6160.3450000109.3G86T84-G86 PolarHBondContact O-N 3.46Å
85P43.4Very low49.6Very low139 Ų139134.8 Ų134.890%0.90375%0.746SS**THydrogen-bonded Turntrans-74.4117.9178.4-13.428.3000110.8
86G49.7Very low51.2Low81 Ų81130.1 Ų130.184%0.83572%0.716SS**THydrogen-bonded Turntrans147.2-12.4168.500000117.4T84T84-G86 PolarHBondContact O-N 3.46Å
87E39.7Very low52.4Low161 Ų161123 Ų12375%0.75270%0.703SS**SBendtrans-89.4133.9176.6-94.8-104.193.700111.1G89E87-G89 PolarHBondContact O-N 3.47Å
88P47.3Very low53.7Low114 Ų114125.1 Ų125.174%0.7470%0.697SS**  trans-60.9102.2167.823.3-27.5000108
89G48.8Very low55.5Low52 Ų52122.7 Ų122.754%0.53668%0.682SS.*  trans-52.2155.3-166.500000114.1E87 R91E87-G89 PolarHBondContact O-N 3.47Å; G89-R91 PolarHBondContact O-N 2.93Å; G89-R91 VanDerWaalsContact O-N 3.11Å
90P52.5Low57.1Low130 Ų130120.3 Ų120.384%0.84467%0.673SS**  trans-52123.7-176.321.4-32.2000109.1K92P90-K92 VanDerWaalsContact C-N 3.34Å; P90-K92 PolarHBondContact O-N 2.87Å
91R50.4Low58.3Low247 Ų247119.5 Ų119.593%0.93266%0.662SS**  trans-54.4102.8174.5-73-177.2177.8-106.21107.1G89 G93G89-R91 PolarHBondContact O-N 2.93Å; G89-R91 VanDerWaalsContact O-N 3.11Å; R91-G93 PolarHBondContact O-N 3.3Å
92K65.2Low59.7Low205 Ų205112.3 Ų112.389%0.89165%0.645SS**  trans-71.286.4-175.6-152.7168.7-170.6-175.20107.8P90P90-K92 VanDerWaalsContact C-N 3.34Å; P90-K92 PolarHBondContact O-N 2.87Å
93G74.1Confident61.4Low31 Ų31104.7 Ų104.732%0.3261%0.609SS.*  trans-92.9160.7178.400000111.3R91 F103R91-G93 PolarHBondContact O-N 3.3Å; G93-F103 CarbonylContact C-O 3.52Å; G93-F103 WeakPolarHBondContact CA-O 3.4Å
94Y75.8Confident63.2Low105 Ų105104.1 Ų104.141%0.41261%0.605SS.*EExtended strand (participates in β ladder)trans-97.7107.6177.9-61.5-92000107.9F103 S105 P106Y94-F103 PolarHBondContact N-O 2.8Å; Y94-F103 PolarHBondContact O-N 3.47Å; Y94-S105 VanDerWaalsContact CD2-C 3.46Å; Y94-P106 HydrophobicContact CD1-CB 3.87Å; Y94-P106 HydrophobicContact CE1-CB 3.73Å; Y94-P106 HydrophobicContact CE1-CG 4.07Å; Y94-P106 HydrophobicContact CE2-CB 4.48Å; Y94-P106 VanDerWaalsContact CE2-CD 3.44Å; Y94-P106 HydrophobicContact CE2-CG 4.3Å; Y94-P106 HydrophobicContact CG-CB 4.29Å
95S73.5Confident64.7Low75 Ų75100 Ų10052%0.52458%0.581SS.*EExtended strand (participates in β ladder)trans-85.5142.9-178.954.30000112.1R101 L109S95-R101 CarbonylContact C-O 3.57Å; S95-R101 WeakPolarHBondContact CA-O 3.38Å; S95-L109 WeakPolarHBondContact O-CD2 3.25Å
96C75.4Confident66Low1 Ų196.2 Ų96.21%0.00756%0.556CS.*  trans-83.6126171.2-176.10000110.2E98 A100 R101 F103 L109 H116C96-E98 PolarHBondContact O-N 2.98Å; C96-A100 WeakPolarHBondContact O-CA 2.99Å; C96-A100 PolarHBondContact O-N 2.93Å; C96-R101 PolarHBondContact N-O 3.22Å; C96-F103 HydrophobicContact CB-CE2 4.36Å; C96-L109 HydrophobicContact CB-CD1 3.6Å; C96-H116 VanDerWaalsContact SG-CD2 3.56Å; C96-H116 PolarHBondContact SG-NE2 3.27Å
97P69.2Low66.9Low104 Ų10499 Ų9968%0.67555%0.551SS**THydrogen-bonded Turntrans-69.2-23.9-179.826.8-33.4000113
98E69.6Low68.2Low104 Ų10499.1 Ų99.149%0.48655%0.545SS..THydrogen-bonded Turntrans-85.2-22.3-173.8-64162.8-11300112.7C96 R113 H116C96-E98 PolarHBondContact O-N 2.98Å; E98-R113 IonicContact OE1-NE 3.29Å; E98-H116 WeakPolarHBondContact OE2-CB 3.39Å; E98-H116 IonicContact OE2-CD2 3.5Å; E98-H116 IonicContact OE2-CG 3.72Å; E98-H116 VanDerWaalsContact OE2-CG 3.29Å
99C75Confident69.5Low57 Ų5794.9 Ų94.939%0.38552%0.516SS..THydrogen-bonded Turntrans-145.210.8-178.469.50000114.8R101 H112 H116C99-R101 PolarHBondContact O-N 3.3Å; C99-H112 PolarHBondContact SG-NE2 3.29Å; C99-H116 VanDerWaalsContact SG-CE1 3.59Å; C99-H116 PolarHBondContact SG-NE2 3.34Å
100A75.1Confident70.6Confident78 Ų7897.4 Ų97.465%0.64551%0.514SS*.  trans56.79-179.500000116.2C96C96-A100 WeakPolarHBondContact O-CA 2.99Å; C96-A100 PolarHBondContact O-N 2.93Å
101R69.6Low71.2Confident163 Ų16394.4 Ų94.462%0.61550%0.496SS*.  trans-71.7133.1-177.7-160.2167.8-175.1165.82.5111.3S95 C96 C99 F103S95-R101 CarbonylContact C-O 3.57Å; S95-R101 WeakPolarHBondContact CA-O 3.38Å; C96-R101 PolarHBondContact N-O 3.22Å; C99-R101 PolarHBondContact O-N 3.3Å; R101-F103 HydrophobicContact CB-CE2 3.94Å; R101-F103 HydrophobicContact CB-CZ 4.22Å; R101-F103 HydrophobicContact CG-CE2 4.1Å; R101-F103 HydrophobicContact CG-CZ 3.98Å; R101-F103 WeakPolarHBondContact O-CD2 3.32Å; R101-F103 WeakPolarHBondContact O-CE2 3.32Å
102V77.2Confident72.4Confident96 Ų9684 Ų8458%0.58246%0.458SS*.EExtended strand (participates in β ladder)trans-99.6131.3-175-174.80000111.2
103F76.2Confident72.6Confident35 Ų3580.4 Ų80.415%0.15444%0.439CS..EExtended strand (participates in β ladder)trans-117147.1-179.9-62.8-89.5000111.3G93 Y94 C96 R101 S105 R108 L109 H112G93-F103 CarbonylContact C-O 3.52Å; G93-F103 WeakPolarHBondContact CA-O 3.4Å; Y94-F103 PolarHBondContact N-O 2.8Å; Y94-F103 PolarHBondContact O-N 3.47Å; C96-F103 HydrophobicContact CB-CE2 4.36Å; R101-F103 HydrophobicContact CB-CE2 3.94Å; R101-F103 HydrophobicContact CB-CZ 4.22Å; R101-F103 HydrophobicContact CG-CE2 4.1Å; R101-F103 HydrophobicContact CG-CZ 3.98Å; R101-F103 WeakPolarHBondContact O-CD2 3.32Å; R101-F103 WeakPolarHBondContact O-CE2 3.32Å; F103-S105 PolarHBondContact O-N 3.2Å; F103-R108 HydrophobicContact CB-CB 4.19Å; F103-R108 HydrophobicContact CD1-CB 4.02Å; F103-R108 HydrophobicContact CG-CB 4.41Å; F103-L109 HydrophobicContact CB-CB 4.14Å; F103-L109 HydrophobicContact CD2-CB 4.01Å; F103-L109 HydrophobicContact CD2-CD1 3.71Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.03Å; F103-L109 HydrophobicContact CG-CB 4.25Å; F103-H112 HydrophobicContact CE1-CB 3.86Å; F103-H112 AromaticContact CE1-CG 4Å; F103-H112 HydrophobicContact CE2-CB 3.87Å; F103-H112 AromaticContact CE2-CD2 3.23Å; F103-H112 WeakPolarHBondContact CE2-CD2 3.11Å; F103-H112 AromaticContact CE2-CG 3.53Å; F103-H112 AromaticContact CE2-NE2 3.85Å; F103-H112 HydrophobicContact CZ-CB 3.45Å; F103-H112 VanDerWaalsContact CZ-CB 3.45Å; F103-H112 AromaticContact CZ-CD2 3.33Å; F103-H112 WeakPolarHBondContact CZ-CD2 3.44Å; F103-H112 AromaticContact CZ-CE1 3.97Å; F103-H112 AromaticContact CZ-CG 3.13Å; F103-H112 AromaticContact CZ-ND1 3.58Å; F103-H112 AromaticContact CZ-NE2 3.83Å
104A77.9Confident72.2Confident87 Ų8780.9 Ų80.972%0.71944%0.435SS*.SBendtrans-74.5-11.8179.300000114
105S73.7Confident71.6Confident34 Ų3478.4 Ų78.424%0.23843%0.433CS..SBendtrans-147.3150.7-178.971.10000112.1Y94 F103 L107 R108 L109Y94-S105 VanDerWaalsContact CD2-C 3.46Å; F103-S105 PolarHBondContact O-N 3.2Å; S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 2.82Å; S105-R108 PolarHBondContact O-N 2.97Å; S105-R108 WeakPolarHBondContact OG-CB 3.33Å; S105-R108 VanDerWaalsContact OG-CG 3.3Å; S105-R108 WeakPolarHBondContact OG-CG 3.48Å; S105-R108 PolarHBondContact OG-N 2.78Å; S105-L109 PolarHBondContact O-N 2.86Å; S105-L109 VanDerWaalsContact O-N 3.11Å
106P69.4Low71.2Confident60 Ų6078.1 Ų78.139%0.3942%0.423SS..Hα-helixtrans-67.6-34.4-178.125.3-28.9000111.3Y94 R108 L109 Q110Y94-P106 HydrophobicContact CD1-CB 3.87Å; Y94-P106 HydrophobicContact CE1-CB 3.73Å; Y94-P106 HydrophobicContact CE1-CG 4.07Å; Y94-P106 HydrophobicContact CE2-CB 4.48Å; Y94-P106 VanDerWaalsContact CE2-CD 3.44Å; Y94-P106 HydrophobicContact CE2-CG 4.3Å; Y94-P106 HydrophobicContact CG-CB 4.29Å; P106-R108 VanDerWaalsContact C-N 3.32Å; P106-R108 PolarHBondContact O-N 3.04Å; P106-L109 PolarHBondContact O-N 2.91Å; P106-Q110 VanDerWaalsContact O-CB 3.28Å; P106-Q110 WeakPolarHBondContact O-CB 3.48Å; P106-Q110 PolarHBondContact O-N 2.8Å
107L70.3Confident70.4Confident140 Ų14079.7 Ų79.773%0.73343%0.434SS*.Hα-helixtrans-59.3-39.5173.6-79.9152.6000112.7S105 Q110 S111S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 2.82Å; L107-Q110 PolarHBondContact O-N 3.13Å; L107-S111 PolarHBondContact O-N 3.12Å
108R66.7Low69.8Low164 Ų16481.3 Ų81.362%0.61944%0.437SS*.Hα-helixtrans-72.1-41.5177.2-76-176.9-174.9179.94.6111.6F103 S105 P106 Q110 H112F103-R108 HydrophobicContact CB-CB 4.19Å; F103-R108 HydrophobicContact CD1-CB 4.02Å; F103-R108 HydrophobicContact CG-CB 4.41Å; S105-R108 PolarHBondContact O-N 2.97Å; S105-R108 WeakPolarHBondContact OG-CB 3.33Å; S105-R108 VanDerWaalsContact OG-CG 3.3Å; S105-R108 WeakPolarHBondContact OG-CG 3.48Å; S105-R108 PolarHBondContact OG-N 2.78Å; P106-R108 VanDerWaalsContact C-N 3.32Å; P106-R108 PolarHBondContact O-N 3.04Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.06Å; R108-H112 VanDerWaalsContact O-CB 3.28Å; R108-H112 WeakPolarHBondContact O-CB 3.28Å; R108-H112 PolarHBondContact O-N 3.17Å
109L74.3Confident69.1Low24 Ų2482.4 Ų82.413%0.12645%0.446CS..Hα-helixtrans-59.3-44.7172172.762.1000110.5S95 C96 F103 S105 P106 H112 R113S95-L109 WeakPolarHBondContact O-CD2 3.25Å; C96-L109 HydrophobicContact CB-CD1 3.6Å; F103-L109 HydrophobicContact CB-CB 4.14Å; F103-L109 HydrophobicContact CD2-CB 4.01Å; F103-L109 HydrophobicContact CD2-CD1 3.71Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.03Å; F103-L109 HydrophobicContact CG-CB 4.25Å; S105-L109 PolarHBondContact O-N 2.86Å; S105-L109 VanDerWaalsContact O-N 3.11Å; P106-L109 PolarHBondContact O-N 2.91Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.39Å; L109-H112 WeakPolarHBondContact O-CB 3.38Å; L109-H112 PolarHBondContact O-N 2.75Å; L109-H112 VanDerWaalsContact O-N 3.12Å; L109-R113 HydrophobicContact CD1-CG 4.23Å; L109-R113 WeakPolarHBondContact O-CG 3.49Å; L109-R113 PolarHBondContact O-N 3.03Å
110Q70.9Confident68.6Low105 Ų10584.6 Ų84.649%0.49145%0.449SS..Hα-helixtrans-65.2-44.5-178.5-171.8160.8-3.600112.1Y67 P106 L107 R108 H112 R113 V114Y67-Q110 PolarHBondContact OH-NE2 3.39Å; P106-Q110 VanDerWaalsContact O-CB 3.28Å; P106-Q110 WeakPolarHBondContact O-CB 3.48Å; P106-Q110 PolarHBondContact O-N 2.8Å; L107-Q110 PolarHBondContact O-N 3.13Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.06Å; Q110-H112 PolarHBondContact O-N 2.78Å; Q110-R113 PolarHBondContact O-N 3.28Å; Q110-V114 PolarHBondContact O-N 3.19Å
111S65.9Low68.1Low67 Ų6784.4 Ų84.447%0.46944%0.441SS..Hα-helixtrans-63.6-31.8172.1-178.20000112.6L107L107-S111 PolarHBondContact O-N 3.12Å
112H75.4Confident68.1Low30 Ų3080.1 Ų80.114%0.13943%0.427CS..Hα-helixtrans-71.4-36.2175.9169.468.7000112.2C99 F103 R108 L109 Q110 V114 S115 H116C99-H112 PolarHBondContact SG-NE2 3.29Å; F103-H112 HydrophobicContact CE1-CB 3.86Å; F103-H112 AromaticContact CE1-CG 4Å; F103-H112 HydrophobicContact CE2-CB 3.87Å; F103-H112 AromaticContact CE2-CD2 3.23Å; F103-H112 WeakPolarHBondContact CE2-CD2 3.11Å; F103-H112 AromaticContact CE2-CG 3.53Å; F103-H112 AromaticContact CE2-NE2 3.85Å; F103-H112 HydrophobicContact CZ-CB 3.45Å; F103-H112 VanDerWaalsContact CZ-CB 3.45Å; F103-H112 AromaticContact CZ-CD2 3.33Å; F103-H112 WeakPolarHBondContact CZ-CD2 3.44Å; F103-H112 AromaticContact CZ-CE1 3.97Å; F103-H112 AromaticContact CZ-CG 3.13Å; F103-H112 AromaticContact CZ-ND1 3.58Å; F103-H112 AromaticContact CZ-NE2 3.83Å; R108-H112 VanDerWaalsContact O-CB 3.28Å; R108-H112 WeakPolarHBondContact O-CB 3.28Å; R108-H112 PolarHBondContact O-N 3.17Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.39Å; L109-H112 WeakPolarHBondContact O-CB 3.38Å; L109-H112 PolarHBondContact O-N 2.75Å; L109-H112 VanDerWaalsContact O-N 3.12Å; Q110-H112 PolarHBondContact O-N 2.78Å; H112-V114 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact ND1-OG 3.27Å; H112-S115 WeakPolarHBondContact O-CA 3.48Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact O-OG 3.48Å; H112-H116 AromaticContact CD2-NE2 3.99Å; H112-H116 AromaticContact CE1-NE2 3.7Å; H112-H116 AromaticContact NE2-CD2 4Å; H112-H116 AromaticContact NE2-CE1 3.99Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.34Å; H112-H116 VanDerWaalsContact NE2-NE2 3.2Å
113R68.4Low67.5Low129 Ų12979.5 Ų79.549%0.48742%0.424SS..Hα-helixtrans-62.5-31.8176.4-71.6-17871-167.40.4112.7E98 L109 Q110 S115 H116 S117E98-R113 IonicContact OE1-NE 3.29Å; L109-R113 HydrophobicContact CD1-CG 4.23Å; L109-R113 WeakPolarHBondContact O-CG 3.49Å; L109-R113 PolarHBondContact O-N 3.03Å; Q110-R113 PolarHBondContact O-N 3.28Å; R113-S115 PolarHBondContact O-N 3.43Å; R113-S115 VanDerWaalsContact O-N 3.12Å; R113-H116 PolarHBondContact O-N 3.46Å; R113-S117 PolarHBondContact O-N 3.39Å
114V67.3Low67.5Low40 Ų4078 Ų7824%0.24242%0.417CS..Hα-helixtrans-60.6-21.2170.3-176.10000112.1Q110 H112 S117 P121Q110-V114 PolarHBondContact O-N 3.19Å; H112-V114 PolarHBondContact O-N 3.31Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-OG 3.27Å; V114-S117 VanDerWaalsContact O-OG 3.05Å; V114-P121 HydrophobicContact CG1-CG 4.16Å
115S63.3Low67Low53 Ų5378.6 Ų78.637%0.37142%0.422SS..Hα-helixtrans-73.7-29.2175.278.70000113.7H112 R113 K132H112-S115 PolarHBondContact ND1-OG 3.27Å; H112-S115 WeakPolarHBondContact O-CA 3.48Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact O-OG 3.48Å; R113-S115 PolarHBondContact O-N 3.43Å; R113-S115 VanDerWaalsContact O-N 3.12Å; S115-K132 PolarHBondContact O-NZ 3.22Å
116H65.1Low66.5Low69 Ų6980.8 Ų80.832%0.31944%0.442SS..Hα-helixtrans-80.2-30.1175.3-63-57.4000112.5C96 E98 C99 H112 R113C96-H116 VanDerWaalsContact SG-CD2 3.56Å; C96-H116 PolarHBondContact SG-NE2 3.27Å; E98-H116 WeakPolarHBondContact OE2-CB 3.39Å; E98-H116 IonicContact OE2-CD2 3.5Å; E98-H116 IonicContact OE2-CG 3.72Å; E98-H116 VanDerWaalsContact OE2-CG 3.29Å; C99-H116 VanDerWaalsContact SG-CE1 3.59Å; C99-H116 PolarHBondContact SG-NE2 3.34Å; H112-H116 AromaticContact CD2-NE2 3.99Å; H112-H116 AromaticContact CE1-NE2 3.7Å; H112-H116 AromaticContact NE2-CD2 4Å; H112-H116 AromaticContact NE2-CE1 3.99Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.34Å; H112-H116 VanDerWaalsContact NE2-NE2 3.2Å; R113-H116 PolarHBondContact O-N 3.46Å
117S58.7Low66.5Low34 Ų3480.6 Ų80.624%0.23844%0.442CS..SBendtrans-77.3140.2171.166.20000111.6R113 V114 L119R113-S117 PolarHBondContact O-N 3.39Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-OG 3.27Å; V114-S117 VanDerWaalsContact O-OG 3.05Å; S117-L119 PolarHBondContact O-N 3.18Å
118D55.2Low66.1Low138 Ų13876.7 Ų76.774%0.73844%0.435SS*.  trans-70.6-0.9166.2-73.9-54000113.4K120D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.12Å
119L55.2Low66.2Low127 Ų12775 Ų7567%0.66543%0.433SS*.  trans-60.8115.1172.9-58.7175.4000109.3S117 P121S117-L119 PolarHBondContact O-N 3.18Å; L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 WeakPolarHBondContact O-CD 3.45Å
120K65.6Low65.9Low104 Ų10475.7 Ų75.745%0.45244%0.441SS..  trans-10880.9173.1-72.6157.2-176.6168.90107.3D118 F122 A130 F131 K132D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.12Å; K120-F122 PolarHBondContact O-N 3.42Å; K120-A130 HydrophobicContact CB-CB 3.34Å; K120-A130 HydrophobicContact CD-CB 3.84Å; K120-A130 HydrophobicContact CG-CB 4.16Å; K120-F131 CarbonylContact C-O 3.59Å; K120-F131 WeakPolarHBondContact CA-O 3.48Å; K120-K132 HydrophobicContact CG-CG 4.07Å
121P64.8Low65.9Low74 Ų7472.7 Ų72.748%0.48143%0.427SS..  trans-66.4-13.2-169.824.9-33.8000113.4V114 L119V114-P121 HydrophobicContact CG1-CG 4.16Å; L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 WeakPolarHBondContact O-CD 3.45Å
122F67.9Low65.8Low73 Ų7373 Ų7332%0.3242%0.42SS..EExtended strand (participates in β ladder)trans-106.192.8-177.8-55.3-74.5000110.6K120 A130 F131 L137K120-F122 PolarHBondContact O-N 3.42Å; F122-A130 CarbonylContact O-C 3.35Å; F122-A130 WeakPolarHBondContact O-CA 3.29Å; F122-F131 HydrophobicContact CB-CB 4.24Å; F122-F131 WeakPolarHBondContact CB-O 3.49Å; F122-F131 WeakPolarHBondContact CD2-O 3.43Å; F122-F131 PolarHBondContact N-O 3.37Å; F122-F131 VanDerWaalsContact N-O 3.13Å; F122-F131 WeakPolarHBondContact O-CD2 3.48Å; F122-F131 PolarHBondContact O-N 3.15Å; F122-L137 HydrophobicContact CB-CB 3.96Å; F122-L137 HydrophobicContact CB-CD2 3.8Å; F122-L137 HydrophobicContact CB-CG 4.45Å
123T65.5Low65.6Low83 Ų8377.4 Ų77.451%0.50944%0.435SS..EExtended strand (participates in β ladder)trans-94.6142.1178.347.20000112.4K129 A130T123-K129 CarbonylContact C-O 3.56Å; T123-A130 HydrophobicContact CG2-CB 3.67Å
124C75.4Confident65.6Low3 Ų374.6 Ų74.62%0.0244%0.435CS..  trans-83.6116.3171.1-172.90000109.8A126 C127 G128 K129 L137 H140 H144C124-A126 PolarHBondContact O-N 3.04Å; C124-C127 PolarHBondContact O-N 3.37Å; C124-G128 VanDerWaalsContact O-CA 3.25Å; C124-G128 WeakPolarHBondContact O-CA 3.38Å; C124-G128 PolarHBondContact O-N 3.15Å; C124-K129 WeakPolarHBondContact CB-O 3.48Å; C124-K129 PolarHBondContact N-O 3.29Å; C124-L137 HydrophobicContact CB-CD1 3.8Å; C124-H140 PolarHBondContact SG-NE2 3.22Å; C124-H144 PolarHBondContact SG-NE2 2.96Å
125A68.3Low66Low100 Ų10076 Ų7683%0.82645%0.447SS*.THydrogen-bonded Turntrans-62.9-27.1177.200000113.3
126A63.5Low66.5Low79 Ų7976 Ų7665%0.65344%0.441SS*.THydrogen-bonded Turntrans-78.2-26.5-177.200000113.9C124C124-A126 PolarHBondContact O-N 3.04Å
127C68.7Low67.2Low57 Ų5773.4 Ų73.439%0.38543%0.429SS..THydrogen-bonded Turntrans-143.46.1-174.7690000114.9C124 K129 H140 H144C124-C127 PolarHBondContact O-N 3.37Å; C127-K129 PolarHBondContact O-N 3.28Å; C127-K129 VanDerWaalsContact O-N 3.07Å; C127-H140 PolarHBondContact SG-NE2 3.09Å; C127-H144 PolarHBondContact SG-NE2 3.25Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å
128G62.7Low68Low57 Ų5775.6 Ų75.659%0.58844%0.444SS*.  trans71.2-3.8178.800000115.7C124 A130C124-G128 VanDerWaalsContact O-CA 3.25Å; C124-G128 WeakPolarHBondContact O-CA 3.38Å; C124-G128 PolarHBondContact O-N 3.15Å; G128-A130 PolarHBondContact O-N 3.11Å
129K68.3Low69Low130 Ų13077 Ų7757%0.56544%0.439SS*.  trans-64.9130.4-178.5-71.1-173.7-179-170.40111.4T123 C124 C127 F131T123-K129 CarbonylContact C-O 3.56Å; C124-K129 WeakPolarHBondContact CB-O 3.48Å; C124-K129 PolarHBondContact N-O 3.29Å; C127-K129 PolarHBondContact O-N 3.28Å; C127-K129 VanDerWaalsContact O-N 3.07Å; K129-F131 HydrophobicContact CB-CE2 3.94Å; K129-F131 HydrophobicContact CB-CZ 4.1Å; K129-F131 WeakPolarHBondContact O-CE2 3.48Å
130A67.3Low70.3Confident37 Ų3772.1 Ų72.131%0.30641%0.413SS..EExtended strand (participates in β ladder)trans-108.8137.2-174.300000112.1K120 F122 T123 G128K120-A130 HydrophobicContact CB-CB 3.34Å; K120-A130 HydrophobicContact CD-CB 3.84Å; K120-A130 HydrophobicContact CG-CB 4.16Å; F122-A130 CarbonylContact O-C 3.35Å; F122-A130 WeakPolarHBondContact O-CA 3.29Å; T123-A130 HydrophobicContact CG2-CB 3.67Å; G128-A130 PolarHBondContact O-N 3.11Å
131F72.2Confident70.7Confident43 Ų4373 Ų7319%0.18941%0.414CS..EExtended strand (participates in β ladder)trans-125.2150.3-175.3-58.2-89.3000111.3K120 F122 K129 H136 L137 H140K120-F131 CarbonylContact C-O 3.59Å; K120-F131 WeakPolarHBondContact CA-O 3.48Å; F122-F131 HydrophobicContact CB-CB 4.24Å; F122-F131 WeakPolarHBondContact CB-O 3.49Å; F122-F131 WeakPolarHBondContact CD2-O 3.43Å; F122-F131 PolarHBondContact N-O 3.37Å; F122-F131 VanDerWaalsContact N-O 3.13Å; F122-F131 WeakPolarHBondContact O-CD2 3.48Å; F122-F131 PolarHBondContact O-N 3.15Å; K129-F131 HydrophobicContact CB-CE2 3.94Å; K129-F131 HydrophobicContact CB-CZ 4.1Å; K129-F131 WeakPolarHBondContact O-CE2 3.48Å; F131-H136 HydrophobicContact CB-CB 4.28Å; F131-H136 HydrophobicContact CD1-CB 3.94Å; F131-H136 HydrophobicContact CG-CB 4.33Å; F131-L137 HydrophobicContact CB-CB 4.46Å; F131-L137 HydrophobicContact CD2-CB 4.02Å; F131-L137 HydrophobicContact CD2-CD1 3.81Å; F131-L137 HydrophobicContact CE2-CD1 4Å; F131-L137 HydrophobicContact CG-CB 4.42Å; F131-H140 HydrophobicContact CE1-CB 4.13Å; F131-H140 HydrophobicContact CE2-CB 3.87Å; F131-H140 AromaticContact CE2-CD2 3.39Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.35Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.49Å; F131-H140 VanDerWaalsContact CZ-CB 3.49Å; F131-H140 AromaticContact CZ-CD2 3.56Å; F131-H140 AromaticContact CZ-CG 3.28Å; F131-H140 AromaticContact CZ-ND1 3.79Å
132K63.6Low71.2Confident73 Ų7372.3 Ų72.332%0.31741%0.414SS..SBendtrans-81.3-14.2175.4-64-172.3171.9-172.90113.5S115 K120S115-K132 PolarHBondContact O-NZ 3.22Å; K120-K132 HydrophobicContact CG-CG 4.07Å
133R70.5Confident71.3Confident123 Ų12371.9 Ų71.946%0.46442%0.417SS..SBendtrans-135140.1-177.3-69.4-173.4-81.1153.9-13.3112S135 H136 L137R133-S135 PolarHBondContact O-N 2.89Å; R133-H136 HydrophobicContact CB-CB 4.42Å; R133-H136 PolarHBondContact NH1-NE2 3.3Å; R133-H136 PolarHBondContact NH2-CE1 3.32Å; R133-H136 PolarHBondContact NH2-NE2 3.05Å; R133-H136 WeakPolarHBondContact O-CB 2.84Å; R133-H136 PolarHBondContact O-N 3.05Å; R133-L137 PolarHBondContact O-N 3.43Å
134S69.2Low71.6Confident70 Ų7071.4 Ų71.449%0.4941%0.409SS..Hα-helixtrans-61.6-40177.157.60000112.7H136 L137 S138S134-H136 VanDerWaalsContact C-N 3.25Å; S134-H136 PolarHBondContact O-N 3.12Å; S134-L137 PolarHBondContact O-N 3.23Å; S134-L137 VanDerWaalsContact O-N 3.15Å; S134-S138 PolarHBondContact O-N 3.45Å
135S74.6Confident71.2Confident69 Ų6982.6 Ų82.648%0.48345%0.451SS..Hα-helixtrans-61-34177.557.40000112.9R133 R139R133-S135 PolarHBondContact O-N 2.89Å; S135-R139 PolarHBondContact O-N 3.24Å; S135-R139 VanDerWaalsContact O-N 3.11Å
136H75.3Confident71Confident54 Ų5481.9 Ų81.925%0.2545%0.445CS..Hα-helixtrans-71.8-40.9175.2-74.4-164.2000112F131 R133 S134 R139 H140F131-H136 HydrophobicContact CB-CB 4.28Å; F131-H136 HydrophobicContact CD1-CB 3.94Å; F131-H136 HydrophobicContact CG-CB 4.33Å; R133-H136 HydrophobicContact CB-CB 4.42Å; R133-H136 PolarHBondContact NH1-NE2 3.3Å; R133-H136 PolarHBondContact NH2-CE1 3.32Å; R133-H136 PolarHBondContact NH2-NE2 3.05Å; R133-H136 WeakPolarHBondContact O-CB 2.84Å; R133-H136 PolarHBondContact O-N 3.05Å; S134-H136 VanDerWaalsContact C-N 3.25Å; S134-H136 PolarHBondContact O-N 3.12Å; H136-R139 PolarHBondContact O-N 3.46Å; H136-H140 VanDerWaalsContact O-CB 3.29Å; H136-H140 WeakPolarHBondContact O-CB 3.4Å; H136-H140 PolarHBondContact O-N 2.92Å
137L78.8Confident71.1Confident14 Ų1478.8 Ų78.87%0.07342%0.421CS..Hα-helixtrans-62.3-43.3173.5175.264.6000111.3F122 C124 F131 R133 S134 H140 R141F122-L137 HydrophobicContact CB-CB 3.96Å; F122-L137 HydrophobicContact CB-CD2 3.8Å; F122-L137 HydrophobicContact CB-CG 4.45Å; C124-L137 HydrophobicContact CB-CD1 3.8Å; F131-L137 HydrophobicContact CB-CB 4.46Å; F131-L137 HydrophobicContact CD2-CB 4.02Å; F131-L137 HydrophobicContact CD2-CD1 3.81Å; F131-L137 HydrophobicContact CE2-CD1 4Å; F131-L137 HydrophobicContact CG-CB 4.42Å; R133-L137 PolarHBondContact O-N 3.43Å; S134-L137 PolarHBondContact O-N 3.23Å; S134-L137 VanDerWaalsContact O-N 3.15Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CB 3.41Å; L137-H140 PolarHBondContact O-N 2.76Å; L137-R141 HydrophobicContact CD1-CG 4.32Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.24Å
138S75.2Confident71.3Confident80 Ų8077.6 Ų77.656%0.55941%0.413SS*.Hα-helixtrans-60.7-46.5177.1-99.10000112.3S134 H140 R141 A142S134-S138 PolarHBondContact O-N 3.45Å; S138-H140 VanDerWaalsContact C-N 3.31Å; S138-H140 PolarHBondContact O-N 3.05Å; S138-R141 PolarHBondContact O-N 3.36Å; S138-A142 PolarHBondContact O-N 3.22Å
139R76.6Confident71.9Confident167 Ų16779.2 Ų79.263%0.6341%0.412SS*.Hα-helixtrans-62-40.8174.7-177.8172.461.8-167.9-1.4111.8S135 H136 A142S135-R139 PolarHBondContact O-N 3.24Å; S135-R139 VanDerWaalsContact O-N 3.11Å; H136-R139 PolarHBondContact O-N 3.46Å; R139-A142 WeakPolarHBondContact O-CB 3.28Å; R139-A142 PolarHBondContact O-N 2.81Å
140H81.5Confident72.6Confident25 Ų2576.1 Ų76.112%0.11640%0.4CS..Hα-helixtrans-64.5-37.9175.7171.565.6000112.4C124 C127 F131 H136 L137 S138 A142 T143 H144C124-H140 PolarHBondContact SG-NE2 3.22Å; C127-H140 PolarHBondContact SG-NE2 3.09Å; F131-H140 HydrophobicContact CE1-CB 4.13Å; F131-H140 HydrophobicContact CE2-CB 3.87Å; F131-H140 AromaticContact CE2-CD2 3.39Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.35Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.49Å; F131-H140 VanDerWaalsContact CZ-CB 3.49Å; F131-H140 AromaticContact CZ-CD2 3.56Å; F131-H140 AromaticContact CZ-CG 3.28Å; F131-H140 AromaticContact CZ-ND1 3.79Å; H136-H140 VanDerWaalsContact O-CB 3.29Å; H136-H140 WeakPolarHBondContact O-CB 3.4Å; H136-H140 PolarHBondContact O-N 2.92Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CB 3.41Å; L137-H140 PolarHBondContact O-N 2.76Å; S138-H140 VanDerWaalsContact C-N 3.31Å; S138-H140 PolarHBondContact O-N 3.05Å; H140-A142 PolarHBondContact O-N 3.27Å; H140-T143 PolarHBondContact O-N 3.44Å; H140-T143 PolarHBondContact O-OG1 3.24Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-CE1 3.98Å; H140-H144 AromaticContact CE1-NE2 3.43Å; H140-H144 PolarHBondContact CE1-NE2 3.26Å; H140-H144 AromaticContact NE2-CD2 3.88Å; H140-H144 AromaticContact NE2-CE1 3.92Å; H140-H144 AromaticContact NE2-NE2 3.03Å; H140-H144 PolarHBondContact NE2-NE2 2.88Å
141R75.4Confident73.4Confident122 Ų12277.4 Ų77.446%0.4640%0.404SS..Hα-helixtrans-60.6-32.7174.5-75.7175.9173.4-176.3-1.7112.3L137 S138 T143 H144 R145L137-R141 HydrophobicContact CD1-CG 4.32Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.24Å; S138-R141 PolarHBondContact O-N 3.36Å; R141-T143 VanDerWaalsContact C-N 3.26Å; R141-T143 PolarHBondContact O-N 2.77Å; R141-H144 WeakPolarHBondContact O-CB 3.28Å; R141-H144 PolarHBondContact O-N 2.83Å; R141-R145 PolarHBondContact O-N 3.37Å
142A74.3Confident74.2Confident59 Ų5975.7 Ų75.749%0.48840%0.397SS..Hα-helixtrans-64.2-29.3175.300000113S138 R139 H140 H144 R145 A146S138-A142 PolarHBondContact O-N 3.22Å; R139-A142 WeakPolarHBondContact O-CB 3.28Å; R139-A142 PolarHBondContact O-N 2.81Å; H140-A142 PolarHBondContact O-N 3.27Å; A142-H144 VanDerWaalsContact C-N 3.26Å; A142-H144 PolarHBondContact O-N 2.92Å; A142-R145 PolarHBondContact O-N 3.12Å; A142-A146 PolarHBondContact O-N 3.07Å
143T71.3Confident75.3Confident64 Ų6477.3 Ų77.339%0.39342%0.416SS..Hα-helixtrans-69.7-25.5176.771.40000112.4H140 R141H140-T143 PolarHBondContact O-N 3.44Å; H140-T143 PolarHBondContact O-OG1 3.24Å; R141-T143 VanDerWaalsContact C-N 3.26Å; R141-T143 PolarHBondContact O-N 2.77Å
144H71.7Confident76.2Confident74 Ų7476.8 Ų76.834%0.34342%0.421SS..Hα-helixtrans-72-37.4172.6-66.4-58000111.8C124 C127 H140 R141 A142 G147C124-H144 PolarHBondContact SG-NE2 2.96Å; C127-H144 PolarHBondContact SG-NE2 3.25Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-CE1 3.98Å; H140-H144 AromaticContact CE1-NE2 3.43Å; H140-H144 PolarHBondContact CE1-NE2 3.26Å; H140-H144 AromaticContact NE2-CD2 3.88Å; H140-H144 AromaticContact NE2-CE1 3.92Å; H140-H144 AromaticContact NE2-NE2 3.03Å; H140-H144 PolarHBondContact NE2-NE2 2.88Å; R141-H144 WeakPolarHBondContact O-CB 3.28Å; R141-H144 PolarHBondContact O-N 2.83Å; A142-H144 VanDerWaalsContact C-N 3.26Å; A142-H144 PolarHBondContact O-N 2.92Å; H144-G147 PolarHBondContact O-N 2.95Å
145R66.5Low77.2Confident238 Ų23874.9 Ų74.990%0.89841%0.408SS*.Hα-helixtrans-72.7-34.2179.1-171.6176.3-178.91791112.9R141 A142 G147R141-R145 PolarHBondContact O-N 3.37Å; A142-R145 PolarHBondContact O-N 3.12Å; R145-G147 PolarHBondContact O-N 3.11Å
146A64.2Low77.5Confident84 Ų8477.8 Ų77.869%0.69443%0.425SS*.Hα-helixtrans-65.3-21.6174.300000112.2A142A142-A146 PolarHBondContact O-N 3.07Å
147G64.9Low77.7Confident14 Ų1483.2 Ų83.214%0.14444%0.443CS..  trans62.8168.6-170.500000111.6H144 R145H144-G147 PolarHBondContact O-N 2.95Å; R145-G147 PolarHBondContact O-N 3.11Å
148P73.5Confident77.9Confident33 Ų3389.9 Ų89.921%0.21447%0.467CS..  trans-67.6128.4172-8.923.8000109.1H150 R158 F159 Q160P148-H150 PolarHBondContact O-N 3.35Å; P148-R158 HydrophobicContact CB-CB 3.87Å; P148-R158 HydrophobicContact CG-CB 3.62Å; P148-F159 WeakPolarHBondContact CB-O 3.49Å; P148-Q160 HydrophobicContact CB-CG 4.4Å
149P76.2Confident78.3Confident90 Ų9087.7 Ų87.758%0.58445%0.448SS*.SBendtrans-68.6-20.4-174.825.5-32.4000112.8
150H81.3Confident78.4Confident65 Ų6584.1 Ų84.130%0.30144%0.438SS..EExtended strand (participates in β ladder)trans-104.9118-174.1-59.4-62.5000110.8P148 R158 F159 D161 A162 L165P148-H150 PolarHBondContact O-N 3.35Å; H150-R158 CarbonylContact O-C 3.54Å; H150-R158 VanDerWaalsContact O-CA 3.32Å; H150-R158 WeakPolarHBondContact O-CA 3.33Å; H150-F159 HydrophobicContact CB-CB 4.38Å; H150-F159 WeakPolarHBondContact CB-O 3.23Å; H150-F159 PolarHBondContact N-O 3.07Å; H150-F159 PolarHBondContact O-N 2.59Å; H150-D161 VanDerWaalsContact CD2-C 3.49Å; H150-A162 PolarHBondContact CD2-N 3.37Å; H150-A162 VanDerWaalsContact CD2-N 3.34Å; H150-L165 HydrophobicContact CB-CB 4.19Å; H150-L165 HydrophobicContact CB-CD2 3.81Å
151T85.1Confident78.3Confident64 Ų6487.3 Ų87.339%0.39346%0.456SS..EExtended strand (participates in β ladder)trans-108.4139.1177.6-56.10000109.9R158T151-R158 HydrophobicContact CG2-CG 4.14Å; T151-R158 PolarHBondContact OG1-NE 3.43Å
152C87.8Confident78.8Confident7 Ų784.2 Ų84.25%0.04746%0.457CS..  trans-69.5134.9174.7179.80000110.9L154 C155 R157 F159 L165 H168 H172C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact SG-N 3.33Å; C152-L154 VanDerWaalsContact SG-N 3.39Å; C152-C155 WeakPolarHBondContact CB-O 3.17Å; C152-C155 VanDerWaalsContact SG-SG 3.66Å; C152-R157 PolarHBondContact N-O 3.15Å; C152-F159 HydrophobicContact CB-CE2 4.25Å; C152-L165 HydrophobicContact CB-CD1 3.94Å; C152-H168 PolarHBondContact SG-NE2 3.35Å; C152-H168 VanDerWaalsContact SG-NE2 3.39Å; C152-H172 PolarHBondContact SG-NE2 3.11Å
153P87.4Confident79.4Confident108 Ų10885 Ų8570%0.70146%0.463SS*.SBendtrans-75.4-19.817728.7-33.6000113.5
154L90.2Very high80.2Confident112 Ų11286.5 Ų86.559%0.58647%0.466SS*.SBendtrans-98.5-17.9-174.8-59.7174.7000113.3C152 H172C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact SG-N 3.33Å; C152-L154 VanDerWaalsContact SG-N 3.39Å; L154-H172 HydrophobicContact CD1-CB 3.54Å
155C90.2Very high81.1Confident30 Ų3084.4 Ų84.420%0.20346%0.457CS..SBendtrans-154.3165.2-177.579.90000111.3C152 R157 H168C152-C155 WeakPolarHBondContact CB-O 3.17Å; C152-C155 VanDerWaalsContact SG-SG 3.66Å; C155-R157 PolarHBondContact O-N 3.2Å; C155-H168 PolarHBondContact SG-NE2 3.26Å; C155-H168 VanDerWaalsContact SG-NE2 3.36Å
156P79.9Confident82.3Confident130 Ų13075.2 Ų75.284%0.84443%0.432SS*.SBendtrans-75.411.1-175.830.2-35.1000115
157R79.8Confident83.6Confident167 Ų16777.4 Ų77.463%0.6343%0.428SS*.  trans-73.2148.3178.5-71.1-168.2-167.1-138.34.7112C152 C155 F159C152-R157 PolarHBondContact N-O 3.15Å; C155-R157 PolarHBondContact O-N 3.2Å; R157-F159 HydrophobicContact CB-CE2 3.76Å; R157-F159 HydrophobicContact CB-CZ 3.91Å
158R83.8Confident85Confident154 Ų15478 Ų7858%0.58143%0.427SS*.EExtended strand (participates in β ladder)trans-129.7144.5-178.7-65.2-175.7148.9-168-5.2111P148 H150 T151P148-R158 HydrophobicContact CB-CB 3.87Å; P148-R158 HydrophobicContact CG-CB 3.62Å; H150-R158 CarbonylContact O-C 3.54Å; H150-R158 VanDerWaalsContact O-CA 3.32Å; H150-R158 WeakPolarHBondContact O-CA 3.33Å; T151-R158 HydrophobicContact CG2-CG 4.14Å; T151-R158 PolarHBondContact OG1-NE 3.43Å
159F81.7Confident85.9Confident34 Ų3478.8 Ų78.815%0.14943%0.431CS..EExtended strand (participates in β ladder)trans-131.8145.3-170.8-59.7-88.3000111.3P148 H150 C152 R157 E164 L165 H168P148-F159 WeakPolarHBondContact CB-O 3.49Å; H150-F159 HydrophobicContact CB-CB 4.38Å; H150-F159 WeakPolarHBondContact CB-O 3.23Å; H150-F159 PolarHBondContact N-O 3.07Å; H150-F159 PolarHBondContact O-N 2.59Å; C152-F159 HydrophobicContact CB-CE2 4.25Å; R157-F159 HydrophobicContact CB-CE2 3.76Å; R157-F159 HydrophobicContact CB-CZ 3.91Å; F159-E164 HydrophobicContact CB-CB 4.28Å; F159-E164 HydrophobicContact CD1-CB 3.92Å; F159-E164 HydrophobicContact CG-CB 4.43Å; F159-L165 HydrophobicContact CB-CB 4.08Å; F159-L165 HydrophobicContact CD2-CB 4.01Å; F159-L165 HydrophobicContact CD2-CD1 3.71Å; F159-L165 HydrophobicContact CD2-CG 4.46Å; F159-L165 HydrophobicContact CE2-CD1 4.02Å; F159-L165 HydrophobicContact CG-CB 4.14Å; F159-H168 HydrophobicContact CE1-CB 3.83Å; F159-H168 AromaticContact CE1-CG 3.97Å; F159-H168 HydrophobicContact CE2-CB 4.07Å; F159-H168 AromaticContact CE2-CD2 3.25Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.36Å; F159-H168 AromaticContact CE2-CG 3.67Å; F159-H168 AromaticContact CE2-NE2 3.83Å; F159-H168 HydrophobicContact CZ-CB 3.51Å; F159-H168 AromaticContact CZ-CD2 3.25Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.41Å; F159-H168 AromaticContact CZ-CG 3.17Å; F159-H168 AromaticContact CZ-ND1 3.68Å; F159-H168 AromaticContact CZ-NE2 3.76Å
160Q79.1Confident86.7Confident93 Ų9384.4 Ų84.444%0.43544%0.44SS..SBendtrans-78.4-34.2-179.3-69.3-67.2-10.900111P148P148-Q160 HydrophobicContact CB-CG 4.4Å
161D80.4Confident87.2Confident92 Ų9287.8 Ų87.849%0.49246%0.46SS..SBendtrans-115.8143.5-176.7-60.1-62.8000111.9H150 A163 E164 L165H150-D161 VanDerWaalsContact CD2-C 3.49Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-E164 HydrophobicContact CB-CB 4.48Å; D161-E164 HydrophobicContact CB-CG 4.1Å; D161-E164 PolarHBondContact O-N 2.8Å; D161-L165 PolarHBondContact O-N 3.41Å
162A84.3Confident87.2Confident57 Ų5791 Ų9147%0.47147%0.47SS..Hα-helixtrans-63.1-31.6176.900000112.5H150 L165 A166H150-A162 PolarHBondContact CD2-N 3.37Å; H150-A162 VanDerWaalsContact CD2-N 3.34Å; A162-L165 PolarHBondContact O-N 3.21Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.88Å
163A88.9Confident87.2Confident76 Ų7695.2 Ų95.263%0.62849%0.492SS*.Hα-helixtrans-66.5-41.8177.300000112.2D161 A166 Q167D161-A163 PolarHBondContact O-N 2.94Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-Q167 PolarHBondContact O-N 2.82Å
164E86.2Confident87.2Confident95 Ų9594.5 Ų94.544%0.44448%0.481SS..Hα-helixtrans-64-43.1175.5-67.3-175.4132.500111.2F159 D161 Q167 H168F159-E164 HydrophobicContact CB-CB 4.28Å; F159-E164 HydrophobicContact CD1-CB 3.92Å; F159-E164 HydrophobicContact CG-CB 4.43Å; D161-E164 HydrophobicContact CB-CB 4.48Å; D161-E164 HydrophobicContact CB-CG 4.1Å; D161-E164 PolarHBondContact O-N 2.8Å; E164-Q167 PolarHBondContact O-N 3.48Å; E164-H168 VanDerWaalsContact O-CB 3.29Å; E164-H168 WeakPolarHBondContact O-CB 3.46Å; E164-H168 PolarHBondContact O-N 3.39Å
165L91.1Very high87Confident29 Ų2993.6 Ų93.615%0.15248%0.475CS..Hα-helixtrans-59.9-46.3173.717262.4000111.1H150 C152 F159 D161 A162 Q167 H168 V169H150-L165 HydrophobicContact CB-CB 4.19Å; H150-L165 HydrophobicContact CB-CD2 3.81Å; C152-L165 HydrophobicContact CB-CD1 3.94Å; F159-L165 HydrophobicContact CB-CB 4.08Å; F159-L165 HydrophobicContact CD2-CB 4.01Å; F159-L165 HydrophobicContact CD2-CD1 3.71Å; F159-L165 HydrophobicContact CD2-CG 4.46Å; F159-L165 HydrophobicContact CE2-CD1 4.02Å; F159-L165 HydrophobicContact CG-CB 4.14Å; D161-L165 PolarHBondContact O-N 3.41Å; A162-L165 PolarHBondContact O-N 3.21Å; L165-Q167 PolarHBondContact O-N 3.44Å; L165-H168 WeakPolarHBondContact O-CB 3.3Å; L165-H168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 3.76Å; L165-V169 HydrophobicContact CG-CG2 4.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 2.84Å
166A91.2Very high86.9Confident46 Ų4697.3 Ų97.338%0.3849%0.491SS..Hα-helixtrans-62.9-42-178.300000112.1A162 A163 V169 R170A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.88Å; A163-A166 PolarHBondContact O-N 3.48Å; A166-V169 PolarHBondContact O-N 2.8Å; A166-R170 WeakPolarHBondContact O-CG 3.09Å; A166-R170 PolarHBondContact O-N 3.32Å
167Q93.3Very high87.3Confident129 Ų12995.3 Ų95.360%0.60347%0.469SS*.Hα-helixtrans-63.9-44.3173.6-178178.7-1.400111.2A163 E164 L165 V169 R170A163-Q167 PolarHBondContact O-N 2.82Å; E164-Q167 PolarHBondContact O-N 3.48Å; L165-Q167 PolarHBondContact O-N 3.44Å; Q167-V169 VanDerWaalsContact C-N 3.34Å; Q167-V169 PolarHBondContact O-N 2.8Å; Q167-R170 WeakPolarHBondContact O-CB 3.4Å; Q167-R170 PolarHBondContact O-N 2.94Å
168H93.8Very high87.8Confident28 Ų2890.5 Ų90.513%0.1346%0.458CS..Hα-helixtrans-60.2-42.5177.9167.966.6000112.7C152 C155 F159 E164 L165 R170 L171 H172C152-H168 PolarHBondContact SG-NE2 3.35Å; C152-H168 VanDerWaalsContact SG-NE2 3.39Å; C155-H168 PolarHBondContact SG-NE2 3.26Å; C155-H168 VanDerWaalsContact SG-NE2 3.36Å; F159-H168 HydrophobicContact CE1-CB 3.83Å; F159-H168 AromaticContact CE1-CG 3.97Å; F159-H168 HydrophobicContact CE2-CB 4.07Å; F159-H168 AromaticContact CE2-CD2 3.25Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.36Å; F159-H168 AromaticContact CE2-CG 3.67Å; F159-H168 AromaticContact CE2-NE2 3.83Å; F159-H168 HydrophobicContact CZ-CB 3.51Å; F159-H168 AromaticContact CZ-CD2 3.25Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.41Å; F159-H168 AromaticContact CZ-CG 3.17Å; F159-H168 AromaticContact CZ-ND1 3.68Å; F159-H168 AromaticContact CZ-NE2 3.76Å; E164-H168 VanDerWaalsContact O-CB 3.29Å; E164-H168 WeakPolarHBondContact O-CB 3.46Å; E164-H168 PolarHBondContact O-N 3.39Å; L165-H168 WeakPolarHBondContact O-CB 3.3Å; L165-H168 PolarHBondContact O-N 3.28Å; H168-R170 VanDerWaalsContact C-N 3.26Å; H168-R170 PolarHBondContact O-N 2.98Å; H168-L171 PolarHBondContact O-N 3.11Å; H168-L171 VanDerWaalsContact O-N 3.08Å; H168-H172 AromaticContact CD2-NE2 3.8Å; H168-H172 AromaticContact CE1-CD2 3.97Å; H168-H172 AromaticContact CE1-CE1 3.92Å; H168-H172 AromaticContact CE1-NE2 3.19Å; H168-H172 PolarHBondContact CE1-NE2 3.36Å; H168-H172 AromaticContact NE2-CD2 3.78Å; H168-H172 AromaticContact NE2-CE1 3.93Å; H168-H172 AromaticContact NE2-NE2 2.95Å; H168-H172 PolarHBondContact NE2-NE2 2.84Å
169V92.1Very high88.1Confident49 Ų4985.9 Ų85.930%0.29745%0.449SS..Hα-helixtrans-64.1-31.5179.2172.70000112.2L165 A166 Q167 L171 H172L165-V169 HydrophobicContact CD1-CG2 3.76Å; L165-V169 HydrophobicContact CG-CG2 4.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 2.84Å; A166-V169 PolarHBondContact O-N 2.8Å; Q167-V169 VanDerWaalsContact C-N 3.34Å; Q167-V169 PolarHBondContact O-N 2.8Å; V169-L171 PolarHBondContact O-N 2.76Å; V169-H172 PolarHBondContact O-N 2.77Å
170R93.2Very high88.6Confident207 Ų20789.9 Ų89.978%0.78147%0.472SS*.THydrogen-bonded Turntrans-69.2-16174.8-68173.3-174.3176.41.5114.1A166 Q167 H168A166-R170 WeakPolarHBondContact O-CG 3.09Å; A166-R170 PolarHBondContact O-N 3.32Å; Q167-R170 WeakPolarHBondContact O-CB 3.4Å; Q167-R170 PolarHBondContact O-N 2.94Å; H168-R170 VanDerWaalsContact C-N 3.26Å; H168-R170 PolarHBondContact O-N 2.98Å
171L90.8Very high89.3Confident137 Ų13789.7 Ų89.772%0.71748%0.475SS*.THydrogen-bonded Turntrans-98.9-1-178.8-62.7175.6000113.1H168 V169H168-L171 PolarHBondContact O-N 3.11Å; H168-L171 VanDerWaalsContact O-N 3.08Å; V169-L171 PolarHBondContact O-N 2.76Å
172H86.8Confident90.2Very high131 Ų13189.5 Ų89.561%0.60647%0.474SS*.  trans-800162.5-74.2-77.6000109.3C152 L154 H168 V169C152-H172 PolarHBondContact SG-NE2 3.11Å; L154-H172 HydrophobicContact CD1-CB 3.54Å; H168-H172 AromaticContact CD2-NE2 3.8Å; H168-H172 AromaticContact CE1-CD2 3.97Å; H168-H172 AromaticContact CE1-CE1 3.92Å; H168-H172 AromaticContact CE1-NE2 3.19Å; H168-H172 PolarHBondContact CE1-NE2 3.36Å; H168-H172 AromaticContact NE2-CD2 3.78Å; H168-H172 AromaticContact NE2-CE1 3.93Å; H168-H172 AromaticContact NE2-NE2 2.95Å; H168-H172 PolarHBondContact NE2-NE2 2.84Å; V169-H172 PolarHBondContact O-N 2.77Å

Retrieved 172 of 172 residues in 34.6 ms (Link to these results)