A0A5K4FE52_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low48.3Very low231 Ų231164.4 Ų164.4100%1.13883%0.831SS**  091.50-100.7179.4-112.700106.4
2T36.3Very low48.8Very low127 Ų127157.4 Ų157.478%0.77983%0.831SS**  56.295.385590000112.6
3Q45.6Very low49.6Very low183 Ų183155.6 Ų155.686%0.85583%0.83SS**  -177.1121.8125.7-110.2171.3-31.300109.6
4E45.4Very low50.5Low181 Ų181155.3 Ų155.385%0.84682%0.821SS**  trans-61.1149.7158.3-63.3171.3150.100109.4
5F46.4Very low51.3Low195 Ų195153.3 Ų153.386%0.85582%0.823SS**  trans-173.6112.1136.8-98.8-72.4000107.9
6T46.9Very low51.9Low125 Ų125155.7 Ų155.777%0.76782%0.818SS**  trans-76.1135.8165.845.60000109
7D43.3Very low52.4Low148 Ų148153.4 Ų153.479%0.79182%0.818SS**  trans-171.3121.7148.5-92.4-27.4000109.3
8E51Low52.8Low178 Ų178155.3 Ų155.383%0.83282%0.821SS**  trans-159.994.3134.3-118.4-172.5161.100108.5V10E8-V10 HydrophobicContact CG-CG2 4.05Å
9I58.6Low53Low163 Ų163151.1 Ų151.184%0.83681%0.805SS**  trans-100.5104.6159-60.9172.5000104.9
10V60.6Low53.1Low110 Ų110149.8 Ų149.867%0.66781%0.805SS**  trans-121.7116.8173.9-177.90000110.8E8E8-V10 HydrophobicContact CG-CG2 4.05Å
11H56.5Low53.2Low167 Ų167149.5 Ų149.577%0.77380%0.799SS**  trans10.2120.2164.5-70.6-76.5000120.7
12G54.6Low53.9Low81 Ų81145.5 Ų145.584%0.83579%0.788SS**  trans-64.1142.4165.500000112.8
13V59.2Low54.9Low134 Ų134146.1 Ų146.181%0.81278%0.78SS**  trans-124.6121.21681800000107.8C15V13-C15 PolarHBondContact O-N 3Å
14Q62.4Low55.7Low151 Ų151142.9 Ų142.971%0.70678%0.777SS**  trans-61.1115.5172.1-77.5169-50.100109.5Y16Q14-Y16 PolarHBondContact O-N 2.71Å
15C62.3Low56.5Low126 Ų126143 Ų14385%0.85178%0.775SS**  trans-77.2101.8167.946.30000109V13 S17V13-C15 PolarHBondContact O-N 3Å; C15-S17 PolarHBondContact O-N 2.95Å
16Y61.5Low57.5Low191 Ų191137.6 Ų137.675%0.74977%0.767SS**  trans-67.5127.5169.1-64.3-81000109.5Q14 Q18Q14-Y16 PolarHBondContact O-N 2.71Å; Y16-Q18 PolarHBondContact O-N 3.15Å
17S59.6Low58.5Low117 Ų117140.3 Ų140.382%0.81877%0.771SS**  trans-70.399.4174.560.10000110C15 C19C15-S17 PolarHBondContact O-N 2.95Å; S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.98Å; S17-C19 VanDerWaalsContact O-N 3.15Å
18Q59.5Low59.9Low187 Ų187140.7 Ų140.787%0.87477%0.772SS**  trans-76.985.2161.4-69.1-179.6-8.700108.2Y16 P20Y16-Q18 PolarHBondContact O-N 3.15Å; Q18-P20 WeakPolarHBondContact O-CD 3.41Å
19C57.6Low61.2Low76 Ų76141 Ų14151%0.51477%0.773SS.*  trans-109.889.3162-159.20000107.3S17 E21S17-C19 VanDerWaalsContact C-N 3.32Å; S17-C19 PolarHBondContact O-N 2.98Å; S17-C19 VanDerWaalsContact O-N 3.15Å; C19-E21 PolarHBondContact O-N 3.26Å
20P53.6Low62.2Low125 Ų125141.6 Ų141.681%0.81278%0.775SS**  trans-82.457.4169.136.9-31.2000108.2Q18Q18-P20 WeakPolarHBondContact O-CD 3.41Å
21E55.4Low63.3Low144 Ų144145.2 Ų145.267%0.67378%0.784SS**SBendtrans-136.4108.8163.1-74.5-170.7170.300104.8C19 K23C19-E21 PolarHBondContact O-N 3.26Å; E21-K23 PolarHBondContact O-N 3.26Å
22T56.6Low64.8Low146 Ų146143.3 Ų143.390%0.89678%0.784SS**  trans-54.387.8169.439.40000108S24T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 3Å
23K56.4Low66.3Low140 Ų140148 Ų14861%0.60979%0.785SS**  trans-69.698.1166.1-71.4-173.3-179.31800105.2E21 F25E21-K23 PolarHBondContact O-N 3.26Å; K23-F25 HydrophobicContact CB-CE2 4.31Å; K23-F25 HydrophobicContact CB-CZ 4.24Å; K23-F25 WeakPolarHBondContact O-CD2 3.37Å; K23-F25 WeakPolarHBondContact O-CE2 3.16Å; K23-F25 PolarHBondContact O-N 3.48Å
24S62.3Low67.8Low115 Ų115146.8 Ų146.880%0.80478%0.782SS**  trans-60.5104168.154.20000107.1T22 A26T22-S24 VanDerWaalsContact C-N 3.28Å; T22-S24 PolarHBondContact O-N 3Å; S24-A26 PolarHBondContact O-N 3.01Å
25F63.1Low69Low185 Ų185149.2 Ų149.281%0.81179%0.786SS**  trans-75.1108.1166-59.3-82.9000106.4K23K23-F25 HydrophobicContact CB-CE2 4.31Å; K23-F25 HydrophobicContact CB-CZ 4.24Å; K23-F25 WeakPolarHBondContact O-CD2 3.37Å; K23-F25 WeakPolarHBondContact O-CE2 3.16Å; K23-F25 PolarHBondContact O-N 3.48Å
26A66Low70.2Confident81 Ų81151.2 Ų151.267%0.66978%0.78SS**  trans-89.698.8163.800000106.7S24 L28S24-A26 PolarHBondContact O-N 3.01Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.21Å
27E68.3Low71.5Confident182 Ų182146.5 Ų146.585%0.8577%0.771SS**  trans-6798.3162.3-88.9-174.8156.700107.8Q29E27-Q29 PolarHBondContact O-N 3.34Å
28L73.7Confident72.9Confident155 Ų155148.1 Ų148.181%0.81276%0.764SS**  trans-84.6100.7170.4-87.9155.8000108.2A26 M30A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.21Å; L28-M30 PolarHBondContact O-N 3.36Å
29Q77.2Confident74.2Confident184 Ų184147.9 Ų147.986%0.8676%0.762SS**  trans-74.1111.8162.1-70.2-177.2-9.500108.1E27E27-Q29 PolarHBondContact O-N 3.34Å
30M79.8Confident75.6Confident177 Ų177155 Ų15587%0.87278%0.778SS**  trans-110.5108.2173.5-131.7178.277.500108L28L28-M30 PolarHBondContact O-N 3.36Å
31Q84.2Confident77Confident186 Ų186152.9 Ų152.987%0.86978%0.779SS**PPolyproline II helixtrans-102.2129.4172.7-172.8171-3.200108.8
32T88Confident78.6Confident126 Ų126152.6 Ų152.677%0.77379%0.787SS**PPolyproline II helixtrans-75.4136.9172.7-52.80000109.1
33E86.7Confident80Confident181 Ų181153 Ų15385%0.84678%0.779SS**PPolyproline II helixtrans-58.3144.4175.1-64.5-174.917500110.9Y35E33-Y35 PolarHBondContact O-N 3.47Å
34S89.5Confident81.4Confident107 Ų107151.2 Ų151.275%0.74878%0.784SS**PPolyproline II helixtrans-66.7134174.953.80000110.4
35Y87.5Confident82.8Confident202 Ų202153.1 Ų153.179%0.79278%0.778SS**PPolyproline II helixtrans-73.2137.9173.366.4-81.7000109.9E33 V37E33-Y35 PolarHBondContact O-N 3.47Å; Y35-V37 HydrophobicContact CD2-CG2 3.49Å; Y35-V37 VanDerWaalsContact CD2-CG2 3.49Å; Y35-V37 HydrophobicContact CE2-CG2 3.24Å
36K88.7Confident83.9Confident169 Ų169154 Ų15474%0.73578%0.776SS**PPolyproline II helixtrans-93.3116.9174.8-65.6177.2-177.61720108.9F38K36-F38 HydrophobicContact CB-CD2 4.44Å; K36-F38 HydrophobicContact CB-CE2 3.66Å; K36-F38 HydrophobicContact CB-CZ 3.95Å; K36-F38 HydrophobicContact CD-CZ 4.22Å
37V88.4Confident85.1Confident91 Ų91158.9 Ų158.955%0.55278%0.778SS**PPolyproline II helixtrans-90.9126.6170.8-176.80000108.6Y35Y35-V37 HydrophobicContact CD2-CG2 3.49Å; Y35-V37 VanDerWaalsContact CD2-CG2 3.49Å; Y35-V37 HydrophobicContact CE2-CG2 3.24Å
38F88.3Confident86.2Confident152 Ų152159.9 Ų159.967%0.66778%0.78SS**  trans-113.9120.4169.7-60.1-82.7000108.7K36 R40K36-F38 HydrophobicContact CB-CD2 4.44Å; K36-F38 HydrophobicContact CB-CE2 3.66Å; K36-F38 HydrophobicContact CB-CZ 3.95Å; K36-F38 HydrophobicContact CD-CZ 4.22Å; F38-R40 PolarHBondContact O-N 3.3Å
39H87.1Confident87.1Confident181 Ų181158.3 Ų158.384%0.83878%0.777SS**  trans-73.5115.8170.3-65.3-75.2000108.9
40R85.9Confident87.7Confident226 Ų226156.8 Ų156.885%0.85377%0.769SS**  trans-111.2118.2169.4-67.6-174.5179.2178.70.5108.3F38F38-R40 PolarHBondContact O-N 3.3Å
41G84.8Confident88.2Confident80 Ų80156.9 Ų156.983%0.82577%0.768SS**  trans-83.3131166.700000109.6
42T87.4Confident88.5Confident139 Ų139154.9 Ų154.985%0.85376%0.763SS**  trans-113.3134.2162-52.70000107
43Q87.3Confident88.7Confident153 Ų153157.2 Ų157.272%0.71576%0.764SS**  trans-112.4136.1173.9-63.9-172.427.500109.1
44S86.1Confident88.7Confident103 Ų103154.3 Ų154.372%0.7276%0.759SS**PPolyproline II helixtrans-85.4165.5166.655.60000110.1R46S44-R46 PolarHBondContact O-N 3.12Å; S44-R46 VanDerWaalsContact O-N 3.12Å
45K90Very high88.4Confident156 Ų156155.5 Ų155.568%0.67876%0.757SS**PPolyproline II helixtrans-57.3118.6176.5-174.1173.4177.7-174.50110Y47K45-Y47 HydrophobicContact CB-CE2 4.44Å; K45-Y47 HydrophobicContact CD-CE1 4.18Å; K45-Y47 HydrophobicContact CD-CE2 4.03Å; K45-Y47 WeakPolarHBondContact CD-OH 3.41Å; K45-Y47 VanDerWaalsContact CE-CE1 3.49Å; K45-Y47 VanDerWaalsContact CE-CZ 3.45Å; K45-Y47 WeakPolarHBondContact CE-OH 3.42Å; K45-Y47 HydrophobicContact CG-CD2 4.49Å; K45-Y47 HydrophobicContact CG-CE2 3.95Å; K45-Y47 PolarHBondContact NZ-OH 3.28Å
46R87.4Confident87.8Confident202 Ų202155.1 Ų155.176%0.76276%0.76SS**PPolyproline II helixtrans-96.6134.2171.4-66.5-175.1177.2179.1-1109.1S44S44-R46 PolarHBondContact O-N 3.12Å; S44-R46 VanDerWaalsContact O-N 3.12Å
47Y90.8Very high86.8Confident185 Ų185152.3 Ų152.373%0.72576%0.76SS**PPolyproline II helixtrans-100.5139.3174.1-64.6-93.9000108.7K45K45-Y47 HydrophobicContact CB-CE2 4.44Å; K45-Y47 HydrophobicContact CD-CE1 4.18Å; K45-Y47 HydrophobicContact CD-CE2 4.03Å; K45-Y47 WeakPolarHBondContact CD-OH 3.41Å; K45-Y47 VanDerWaalsContact CE-CE1 3.49Å; K45-Y47 VanDerWaalsContact CE-CZ 3.45Å; K45-Y47 WeakPolarHBondContact CE-OH 3.42Å; K45-Y47 HydrophobicContact CG-CD2 4.49Å; K45-Y47 HydrophobicContact CG-CE2 3.95Å; K45-Y47 PolarHBondContact NZ-OH 3.28Å
48K90.6Very high85.4Confident203 Ų203157 Ų15788%0.88377%0.769SS**  trans-118.7125.7170.1-174.7178.3-179.8-176.90107.1
49T92.4Very high83.8Confident122 Ų122157.3 Ų157.375%0.74877%0.773SS**  trans-78.1137.5174.1-48.70000108.7
50Q89.8Confident82.2Confident151 Ų151154.5 Ų154.571%0.70676%0.764SS**  trans-128.2127.6169.7-176.9176-3.600107.3L52Q50-L52 HydrophobicContact CG-CD1 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.39Å
51E92.3Very high80.7Confident180 Ų180152.4 Ų152.484%0.84176%0.764SS**  trans-98133.8174.5-63.9176.8174.800107.9
52L89.4Confident79.2Confident144 Ų144152.5 Ų152.575%0.75476%0.757SS**  trans-130.3132172.7-64.4105000107.9Q50Q50-L52 HydrophobicContact CG-CD1 3.86Å; Q50-L52 HydrophobicContact CG-CG 4.39Å
53Q91.7Very high77.6Confident174 Ų174150.2 Ų150.281%0.81374%0.743SS**  trans-105.6129.1171.3-178.1171.8-19.900108
54T88.2Confident75.8Confident120 Ų120151.1 Ų151.174%0.73675%0.747SS**  trans-80.3121.717351.20000109
55D83.2Confident74Confident132 Ų132152.4 Ų152.471%0.70675%0.745SS**  trans-71.1135.1172.3-67.5-32.2000110.3C57D55-C57 VanDerWaalsContact C-N 3.29Å; D55-C57 PolarHBondContact O-N 2.75Å
56F72.9Confident72.3Confident194 Ų194151.1 Ų151.185%0.85175%0.746SS**  trans-77.185165.5-80.4-86.6000108.1Y58F56-Y58 PolarHBondContact O-N 2.72Å; F56-Y58 VanDerWaalsContact O-N 3.13Å
57C67.8Low70.7Confident110 Ų110148 Ų14874%0.74374%0.743SS**  trans-70.7105165.8-67.30000108.2D55 Q59D55-C57 VanDerWaalsContact C-N 3.29Å; D55-C57 PolarHBondContact O-N 2.75Å; C57-Q59 PolarHBondContact O-N 3.37Å
58Y59.4Low68.9Low189 Ų189142.4 Ų142.474%0.74173%0.726SS**  trans-56.8122.1161.8-73.5-86000107.3F56 D60F56-Y58 PolarHBondContact O-N 2.72Å; F56-Y58 VanDerWaalsContact O-N 3.13Å; Y58-D60 PolarHBondContact O-N 3.36Å
59Q55.9Low67.3Low159 Ų159136.6 Ų136.674%0.74371%0.707SS**THydrogen-bonded Turntrans-60.5-17.1178.6-69.5179-11.800111.8C57 E61 A62 V63C57-Q59 PolarHBondContact O-N 3.37Å; Q59-E61 PolarHBondContact O-N 3.17Å; Q59-A62 PolarHBondContact O-N 3Å; Q59-V63 WeakPolarHBondContact O-CG2 3.3Å; Q59-V63 PolarHBondContact O-N 3.06Å
60D53.3Low65.6Low122 Ų122137.7 Ų137.765%0.65271%0.708SS**Hα-helixtrans-68.3-29.7-173.7-65.1-30.7000114.7Y58Y58-D60 PolarHBondContact O-N 3.36Å
61E54Low64Low183 Ų183140.5 Ų140.586%0.85571%0.713SS**Hα-helixtrans-77.2-23.8178.5-70.8-168.6166.900113Q59Q59-E61 PolarHBondContact O-N 3.17Å
62A53.1Low62.5Low82 Ų82135.7 Ų135.768%0.67869%0.692SS**Hα-helixtrans-87.4-19.8176.200000113.1Q59Q59-A62 PolarHBondContact O-N 3Å
63V53.6Low61.1Low90 Ų90132.9 Ų132.955%0.54567%0.674SS.*Hα-helixtrans-87.8-11.4-172.5172.90000113.1Q59 N65Q59-V63 WeakPolarHBondContact O-CG2 3.3Å; Q59-V63 PolarHBondContact O-N 3.06Å; V63-N65 PolarHBondContact O-N 3.2Å
64H50.2Low59.8Low172 Ų172129.9 Ų129.980%0.79666%0.663SS**THydrogen-bonded Turntrans-77.62.2-179.3-117.762.6000115.8
65N48.3Very low58.8Low130 Ų130127.2 Ų127.270%0.69565%0.647SS**THydrogen-bonded Turntrans-104.719.4-178.8-79.5-20.5000114.9V63 I67V63-N65 PolarHBondContact O-N 3.2Å; N65-I67 PolarHBondContact O-N 2.88Å
66D53.1Low58.3Low130 Ų130124.1 Ų124.170%0.69563%0.628SS**  trans-73.568.8161.7-83.3-9.8000109.9L68D66-L68 PolarHBondContact O-N 3.34Å
67I54.2Low58.5Low136 Ų136120 Ų12070%0.69761%0.612SS**  trans-72.970.7158.9-51.4175.5000106N65 T69N65-I67 PolarHBondContact O-N 2.88Å; I67-T69 PolarHBondContact O-N 3.4Å
68L53.7Low59.2Low68 Ų68118.3 Ų118.336%0.35660%0.598SS.*  trans-54.6129.5158-75.7164.1000106.5D66 D72 K73 E76D66-L68 PolarHBondContact O-N 3.34Å; L68-D72 HydrophobicContact CB-CB 4.12Å; L68-D72 HydrophobicContact CD2-CB 3.73Å; L68-K73 HydrophobicContact CB-CD 4.44Å; L68-K73 HydrophobicContact CB-CG 3.48Å; L68-K73 VanDerWaalsContact CB-CG 3.48Å; L68-K73 WeakPolarHBondContact O-CD 3.36Å; L68-K73 WeakPolarHBondContact O-CE 3.1Å; L68-K73 WeakPolarHBondContact O-CG 3.34Å; L68-E76 HydrophobicContact CD1-CG 4.22Å
69T55.8Low60.4Low81 Ų81116.7 Ų116.750%0.49759%0.59SS.*  trans-57151.7173.466.70000109I67 R71 D72 K73I67-T69 PolarHBondContact O-N 3.4Å; T69-R71 PolarHBondContact O-N 2.9Å; T69-D72 WeakPolarHBondContact O-CA 3.4Å; T69-D72 PolarHBondContact O-N 2.78Å; T69-D72 PolarHBondContact OG1-OD2 3.34Å; T69-K73 PolarHBondContact O-N 2.81Å
70D58.1Low62Low145 Ų145113.5 Ų113.578%0.77558%0.577SS**Hα-helixtrans-53.2-26.5-173.6-146.919.2000113.4L74D70-L74 PolarHBondContact O-N 3.31Å
71R56.4Low63.7Low210 Ų210112.2 Ų112.279%0.79257%0.57SS**Hα-helixtrans-76.5-39.5172.8-74.8-173.2174.4-175.9-1114.1T69 T75T69-R71 PolarHBondContact O-N 2.9Å; R71-T75 PolarHBondContact O-N 3.28Å; R71-T75 VanDerWaalsContact O-N 3.15Å; R71-T75 PolarHBondContact O-OG1 2.82Å
72D59.3Low65.4Low78 Ų78107.3 Ų107.342%0.41756%0.555SS.*Hα-helixtrans-71.5-35.6176.1-61.3-39.8000110.4L68 T69 T75 E76L68-D72 HydrophobicContact CB-CB 4.12Å; L68-D72 HydrophobicContact CD2-CB 3.73Å; T69-D72 WeakPolarHBondContact O-CA 3.4Å; T69-D72 PolarHBondContact O-N 2.78Å; T69-D72 PolarHBondContact OG1-OD2 3.34Å; D72-T75 PolarHBondContact O-N 3.15Å; D72-E76 WeakPolarHBondContact O-CB 3.41Å; D72-E76 WeakPolarHBondContact O-CG 3.48Å; D72-E76 PolarHBondContact O-N 3Å
73K60.2Low67.3Low85 Ų85108.6 Ų108.637%0.3755%0.546SS..Hα-helixtrans-58.7-49.2171.3-74-175.8173.2175.80112L68 T69 T75 E76 E77L68-K73 HydrophobicContact CB-CD 4.44Å; L68-K73 HydrophobicContact CB-CG 3.48Å; L68-K73 VanDerWaalsContact CB-CG 3.48Å; L68-K73 WeakPolarHBondContact O-CD 3.36Å; L68-K73 WeakPolarHBondContact O-CE 3.1Å; L68-K73 WeakPolarHBondContact O-CG 3.34Å; T69-K73 PolarHBondContact O-N 2.81Å; K73-T75 VanDerWaalsContact C-N 3.28Å; K73-T75 PolarHBondContact O-N 2.92Å; K73-E76 PolarHBondContact O-N 3.2Å; K73-E77 VanDerWaalsContact O-CB 3.26Å; K73-E77 WeakPolarHBondContact O-CB 3.13Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.8Å
74L64.5Low69.2Low112 Ų112108.6 Ų108.659%0.58654%0.542SS*.Hα-helixtrans-62.9-35.8178.7-169.969.1000112.2D70 T78D70-L74 PolarHBondContact O-N 3.31Å; L74-T78 WeakPolarHBondContact O-CB 3.46Å; L74-T78 PolarHBondContact O-N 3.44Å; L74-T78 PolarHBondContact O-OG1 3.09Å
75T68.6Low71.2Confident64 Ų64107.9 Ų107.939%0.39354%0.537SS..Hα-helixtrans-71.1-43.4178.8-50.30000111.4R71 D72 K73 T78 R79R71-T75 PolarHBondContact O-N 3.28Å; R71-T75 VanDerWaalsContact O-N 3.15Å; R71-T75 PolarHBondContact O-OG1 2.82Å; D72-T75 PolarHBondContact O-N 3.15Å; K73-T75 VanDerWaalsContact C-N 3.28Å; K73-T75 PolarHBondContact O-N 2.92Å; T75-T78 PolarHBondContact O-N 3.3Å; T75-R79 VanDerWaalsContact O-CG 3.3Å; T75-R79 WeakPolarHBondContact O-CG 3.28Å; T75-R79 PolarHBondContact O-N 3.48Å
76E72.3Confident73.4Confident66 Ų66109.8 Ų109.831%0.30853%0.534SS..Hα-helixtrans-69.3-41.2176.1-69.6-54.1122.900111.9L68 D72 K73 T78 R79 I80L68-E76 HydrophobicContact CD1-CG 4.22Å; D72-E76 WeakPolarHBondContact O-CB 3.41Å; D72-E76 WeakPolarHBondContact O-CG 3.48Å; D72-E76 PolarHBondContact O-N 3Å; K73-E76 PolarHBondContact O-N 3.2Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 2.86Å; E76-R79 PolarHBondContact O-N 3.19Å; E76-R79 WeakPolarHBondContact OE1-CD 3.44Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 3.81Å; E76-R79 IonicContact OE1-NH1 2.72Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; E76-I80 WeakPolarHBondContact O-CB 3.21Å; E76-I80 WeakPolarHBondContact O-CD1 3.43Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.26Å
77E76.3Confident75.4Confident108 Ų108104.9 Ų104.951%0.50551%0.509SS..Hα-helixtrans-57.2-43.6171.6-77.8175-17400111.3K73 I80 L81K73-E77 VanDerWaalsContact O-CB 3.26Å; K73-E77 WeakPolarHBondContact O-CB 3.13Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.8Å; E77-I80 PolarHBondContact O-N 2.85Å; E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.21Å; E77-L81 PolarHBondContact O-N 3.44Å
78T82.1Confident77.4Confident75 Ų75104.1 Ų104.146%0.4650%0.503SS..Hα-helixtrans-66.1-40.6177.7-51.10000111.4L74 T75 E76 L81 C82L74-T78 WeakPolarHBondContact O-CB 3.46Å; L74-T78 PolarHBondContact O-N 3.44Å; L74-T78 PolarHBondContact O-OG1 3.09Å; T75-T78 PolarHBondContact O-N 3.3Å; E76-T78 VanDerWaalsContact C-N 3.3Å; E76-T78 PolarHBondContact O-N 2.86Å; T78-L81 PolarHBondContact O-N 3.45Å; T78-C82 WeakPolarHBondContact O-CB 3.39Å; T78-C82 PolarHBondContact O-N 3.4Å; T78-C82 PolarHBondContact O-SG 2.8Å; T78-C82 VanDerWaalsContact O-SG 3.36Å
79R85Confident79.4Confident154 Ų154104.3 Ų104.358%0.58151%0.508SS*.Hα-helixtrans-64-43.7175.4-74.2169.9176.9-175.9-1.2112T75 E76 C82 F83T75-R79 VanDerWaalsContact O-CG 3.3Å; T75-R79 WeakPolarHBondContact O-CG 3.28Å; T75-R79 PolarHBondContact O-N 3.48Å; E76-R79 PolarHBondContact O-N 3.19Å; E76-R79 WeakPolarHBondContact OE1-CD 3.44Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 3.81Å; E76-R79 IonicContact OE1-NH1 2.72Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; R79-C82 PolarHBondContact O-N 2.86Å; R79-F83 WeakPolarHBondContact O-CB 3.29Å; R79-F83 PolarHBondContact O-N 2.87Å
80I89Confident81.3Confident92 Ų92105.4 Ų105.447%0.47251%0.51SS..Hα-helixtrans-64.2-45.5176.2-68.9164.2000110E76 E77 C82 F83 L84E76-I80 WeakPolarHBondContact O-CB 3.21Å; E76-I80 WeakPolarHBondContact O-CD1 3.43Å; E76-I80 WeakPolarHBondContact O-CG1 3.42Å; E76-I80 PolarHBondContact O-N 3.26Å; E77-I80 PolarHBondContact O-N 2.85Å; I80-C82 VanDerWaalsContact C-N 3.35Å; I80-C82 PolarHBondContact O-N 2.8Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 PolarHBondContact O-N 3.13Å; I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 HydrophobicContact CG2-CG 4.27Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.33Å
81L89.6Confident83.1Confident95 Ų95102.9 Ų102.950%0.49750%0.495SS..Hα-helixtrans-62.5-41.2176.2-74.3172.7000111.7E77 T78 L84 K85E77-L81 VanDerWaalsContact O-CB 3.29Å; E77-L81 WeakPolarHBondContact O-CB 3.3Å; E77-L81 WeakPolarHBondContact O-CG 3.21Å; E77-L81 PolarHBondContact O-N 3.44Å; T78-L81 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 3.4Å; L81-K85 VanDerWaalsContact O-CB 3.3Å; L81-K85 WeakPolarHBondContact O-CB 3.41Å; L81-K85 VanDerWaalsContact O-CG 3.27Å; L81-K85 WeakPolarHBondContact O-CG 3.27Å; L81-K85 PolarHBondContact O-N 2.78Å
82C89.6Confident84.9Confident81 Ų8195.4 Ų95.455%0.54747%0.473SS..Hα-helixtrans-62.8-41.6173.4-79.40000111.9T78 R79 I80 R86T78-C82 WeakPolarHBondContact O-CB 3.39Å; T78-C82 PolarHBondContact O-N 3.4Å; T78-C82 PolarHBondContact O-SG 2.8Å; T78-C82 VanDerWaalsContact O-SG 3.36Å; R79-C82 PolarHBondContact O-N 2.86Å; I80-C82 VanDerWaalsContact C-N 3.35Å; I80-C82 PolarHBondContact O-N 2.8Å; C82-R86 VanDerWaalsContact O-CB 3.28Å; C82-R86 WeakPolarHBondContact O-CB 3.11Å; C82-R86 PolarHBondContact O-N 3.37Å
83F93.4Very high86.6Confident109 Ų10997.6 Ų97.648%0.47848%0.479SS..Hα-helixtrans-60.8-52.4174.1172.6-97.3000111R79 I80 K85 R86 T87R79-F83 WeakPolarHBondContact O-CB 3.29Å; R79-F83 PolarHBondContact O-N 2.87Å; I80-F83 WeakPolarHBondContact O-CB 3.49Å; I80-F83 PolarHBondContact O-N 3.13Å; F83-K85 PolarHBondContact O-N 3.04Å; F83-R86 WeakPolarHBondContact O-CB 3.42Å; F83-R86 PolarHBondContact O-N 3.28Å; F83-R86 VanDerWaalsContact O-N 3.09Å; F83-T87 HydrophobicContact CD1-CG2 4.45Å; F83-T87 HydrophobicContact CD2-CG2 4.02Å; F83-T87 HydrophobicContact CE1-CG2 4.09Å; F83-T87 HydrophobicContact CE2-CG2 3.62Å; F83-T87 HydrophobicContact CG-CG2 4.41Å; F83-T87 HydrophobicContact CZ-CG2 3.67Å; F83-T87 WeakPolarHBondContact O-CG2 3.34Å; F83-T87 PolarHBondContact O-N 3.02Å; F83-T87 PolarHBondContact O-OG1 2.88Å
84L93.9Very high88.2Confident89 Ų8997.4 Ų97.447%0.46648%0.479SS..Hα-helixtrans-59.8-47.5179.9-70.6176.4000111.5I80 L81 R86 T87 E88I80-L84 HydrophobicContact CG2-CD1 3.95Å; I80-L84 HydrophobicContact CG2-CG 4.27Å; I80-L84 WeakPolarHBondContact O-CB 3.21Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.33Å; L81-L84 PolarHBondContact O-N 3.4Å; L84-R86 PolarHBondContact O-N 2.67Å; L84-T87 PolarHBondContact O-N 3.2Å; L84-T87 PolarHBondContact O-OG1 3.22Å; L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.72Å
85K92.6Very high89.7Confident157 Ų15796.5 Ų96.568%0.68347%0.474SS*.Hα-helixtrans-59.8-32.5175.7-76.1180178.1-178.90112.8L81 F83 P89L81-K85 VanDerWaalsContact O-CB 3.3Å; L81-K85 WeakPolarHBondContact O-CB 3.41Å; L81-K85 VanDerWaalsContact O-CG 3.27Å; L81-K85 WeakPolarHBondContact O-CG 3.27Å; L81-K85 PolarHBondContact O-N 2.78Å; F83-K85 PolarHBondContact O-N 3.04Å; K85-P89 WeakPolarHBondContact O-CD 3.43Å
86R93.7Very high90.9Very high171 Ų17199.1 Ų99.165%0.64548%0.482SS*.Hα-helixtrans-76.9-39.9176.6-176177.668.1168.21.2112.2C82 F83 L84C82-R86 VanDerWaalsContact O-CB 3.28Å; C82-R86 WeakPolarHBondContact O-CB 3.11Å; C82-R86 PolarHBondContact O-N 3.37Å; F83-R86 WeakPolarHBondContact O-CB 3.42Å; F83-R86 PolarHBondContact O-N 3.28Å; F83-R86 VanDerWaalsContact O-N 3.09Å; L84-R86 PolarHBondContact O-N 2.67Å
87T95.6Very high91.8Very high27 Ų27101 Ų10117%0.16649%0.489CS..Hα-helixtrans-85.9-33.5-174.452.90000113.9F83 L84 I90 I91F83-T87 HydrophobicContact CD1-CG2 4.45Å; F83-T87 HydrophobicContact CD2-CG2 4.02Å; F83-T87 HydrophobicContact CE1-CG2 4.09Å; F83-T87 HydrophobicContact CE2-CG2 3.62Å; F83-T87 HydrophobicContact CG-CG2 4.41Å; F83-T87 HydrophobicContact CZ-CG2 3.67Å; F83-T87 WeakPolarHBondContact O-CG2 3.34Å; F83-T87 PolarHBondContact O-N 3.02Å; F83-T87 PolarHBondContact O-OG1 2.88Å; L84-T87 PolarHBondContact O-N 3.2Å; L84-T87 PolarHBondContact O-OG1 3.22Å; T87-I90 PolarHBondContact O-N 3.44Å; T87-I90 VanDerWaalsContact O-N 3.13Å; T87-I91 WeakPolarHBondContact O-CG1 3.44Å; T87-I91 PolarHBondContact O-N 2.82Å
88E95.4Very high92.4Very high120 Ų120100.9 Ų100.956%0.56149%0.492SS*.Hα-helixtrans-49.7-53-179.6-175.9-132.3155.600112.7L84 I90 I91 T92L84-E88 WeakPolarHBondContact O-CB 3.34Å; L84-E88 PolarHBondContact O-N 2.72Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.44Å; E88-I91 PolarHBondContact O-N 2.94Å; E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.28Å; E88-T92 PolarHBondContact O-N 3.43Å; E88-T92 PolarHBondContact O-OG1 3.21Å
89P95.7Very high92.8Very high71 Ų71103 Ų10346%0.46150%0.499SS..Hα-helixtrans-64.8-32.1-178.224.8-35000113K85 K93K85-P89 WeakPolarHBondContact O-CD 3.43Å; P89-K93 WeakPolarHBondContact O-CB 3.39Å; P89-K93 PolarHBondContact O-N 3.05Å; P89-K93 VanDerWaalsContact O-N 3.08Å
90I95.9Very high92.8Very high105 Ų105103 Ų10354%0.53851%0.505SS..Hα-helixtrans-70.7-50.4179.3-58.2172.3000109.7T87 E88 K93 E94T87-I90 PolarHBondContact O-N 3.44Å; T87-I90 VanDerWaalsContact O-N 3.13Å; E88-I90 VanDerWaalsContact C-N 3.28Å; E88-I90 PolarHBondContact O-N 3.44Å; I90-K93 PolarHBondContact O-N 3.15Å; I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 3.37Å
91I95.4Very high92.7Very high92 Ų92100.7 Ų100.747%0.47250%0.497SS..Hα-helixtrans-64.6-46.4-179.2-67.3173.5000110T87 E88 K93 E94 I95T87-I91 WeakPolarHBondContact O-CG1 3.44Å; T87-I91 PolarHBondContact O-N 2.82Å; E88-I91 PolarHBondContact O-N 2.94Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.46Å; I91-E94 PolarHBondContact O-N 3.08Å; I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.1Å; I91-I95 WeakPolarHBondContact O-CB 3.48Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.18Å; I91-I95 PolarHBondContact O-N 2.93Å
92T95.6Very high92.4Very high53 Ų53102.9 Ų102.933%0.32550%0.503SS..Hα-helixtrans-59.1-43.1177.9-62.90000111.4E88 I95 Q96E88-T92 VanDerWaalsContact O-CB 3.24Å; E88-T92 WeakPolarHBondContact O-CB 3.28Å; E88-T92 PolarHBondContact O-N 3.43Å; E88-T92 PolarHBondContact O-OG1 3.21Å; T92-I95 PolarHBondContact O-N 3.27Å; T92-Q96 HydrophobicContact CG2-CG 4.44Å; T92-Q96 WeakPolarHBondContact O-CB 3.19Å; T92-Q96 VanDerWaalsContact O-CG 3.26Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.81Å
93K95Very high92.1Very high124 Ų124104 Ų10454%0.53951%0.507SS..Hα-helixtrans-60.9-45.9175.9-179.4-179.7-178179.40112.3P89 I90 I91 K97P89-K93 WeakPolarHBondContact O-CB 3.39Å; P89-K93 PolarHBondContact O-N 3.05Å; P89-K93 VanDerWaalsContact O-N 3.08Å; I90-K93 PolarHBondContact O-N 3.15Å; I91-K93 VanDerWaalsContact C-N 3.32Å; I91-K93 PolarHBondContact O-N 3.46Å; K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.38Å; K93-K97 VanDerWaalsContact O-N 3.15Å
94E93.9Very high91.4Very high81 Ų81106.5 Ų106.538%0.37952%0.518SS..Hα-helixtrans-71.3-36.2179.6-66-51.7131.300112.4I90 I91 K97 N98I90-E94 WeakPolarHBondContact O-CG 3.32Å; I90-E94 PolarHBondContact O-N 3.37Å; I91-E94 PolarHBondContact O-N 3.08Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.72Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; E94-K97 IonicContact OE2-NZ 3.62Å; E94-N98 WeakPolarHBondContact O-CB 3.13Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.9Å
95I94.9Very high90.5Very high93 Ų93110.8 Ų110.848%0.47753%0.528SS..Hα-helixtrans-63.9-46173.6-70.9176000110.6I91 T92 K97 N98 I99I91-I95 HydrophobicContact CG2-CD1 3.49Å; I91-I95 VanDerWaalsContact CG2-CD1 3.49Å; I91-I95 HydrophobicContact CG2-CG1 4.1Å; I91-I95 WeakPolarHBondContact O-CB 3.48Å; I91-I95 VanDerWaalsContact O-CG1 3.28Å; I91-I95 WeakPolarHBondContact O-CG1 3.18Å; I91-I95 PolarHBondContact O-N 2.93Å; T92-I95 PolarHBondContact O-N 3.27Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; I95-N98 CarbonylContact O-C 3.59Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.1Å; I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.17Å
96Q93.6Very high89.4Confident118 Ų118114.6 Ų114.655%0.55154%0.538SS*.Hα-helixtrans-60.1-41.1177.5-76.4176-10.900112.3T92 H100T92-Q96 HydrophobicContact CG2-CG 4.44Å; T92-Q96 WeakPolarHBondContact O-CB 3.19Å; T92-Q96 VanDerWaalsContact O-CG 3.26Å; T92-Q96 WeakPolarHBondContact O-CG 3.45Å; T92-Q96 PolarHBondContact O-N 2.81Å; Q96-H100 PolarHBondContact O-CD2 2.98Å
97K91.2Very high88.3Confident107 Ų107110.5 Ų110.547%0.46554%0.535SS..Hα-helixtrans-62.2-44.5172.3-71.1171.3-179.11750111.9K93 E94 I95 H100 S101K93-K97 WeakPolarHBondContact O-CG 3.44Å; K93-K97 PolarHBondContact O-N 3.38Å; K93-K97 VanDerWaalsContact O-N 3.15Å; E94-K97 PolarHBondContact O-N 2.86Å; E94-K97 IonicContact OE1-NZ 2.72Å; E94-K97 PolarHBondContact OE1-NZ 3.12Å; E94-K97 IonicContact OE2-NZ 3.62Å; I95-K97 VanDerWaalsContact C-N 3.33Å; I95-K97 PolarHBondContact O-N 3.13Å; K97-H100 PolarHBondContact O-N 3.2Å; K97-S101 PolarHBondContact O-N 3.09Å
98N90Very high86.7Confident105 Ų105116.2 Ų116.256%0.56156%0.56SS**Hα-helixtrans-70.8-29.9-177-79.5-21.9000113.3E94 I95 H100 S101E94-N98 WeakPolarHBondContact O-CB 3.13Å; E94-N98 PolarHBondContact O-N 3.36Å; E94-N98 PolarHBondContact O-ND2 2.9Å; I95-N98 CarbonylContact O-C 3.59Å; I95-N98 PolarHBondContact O-N 2.73Å; I95-N98 VanDerWaalsContact O-N 3.1Å; N98-H100 VanDerWaalsContact C-N 3.25Å; N98-H100 PolarHBondContact O-N 2.77Å; N98-S101 WeakPolarHBondContact O-CB 3.45Å; N98-S101 PolarHBondContact O-N 3.31Å
99I89.9Confident85.2Confident119 Ų119114.5 Ų114.561%0.6156%0.561SS**Hα-helixtrans-59.6-37.9175.8-74.4165000111.4I95 S101I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.23Å; I95-I99 VanDerWaalsContact O-CG1 3.28Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.17Å; I99-S101 VanDerWaalsContact C-N 3.31Å
100H85.7Confident83.6Confident154 Ų154120.2 Ų120.271%0.71357%0.574SS**THydrogen-bonded Turntrans-85.6-6.9176.9-61.6-59.3000113.3Q96 K97 N98 K102Q96-H100 PolarHBondContact O-CD2 2.98Å; K97-H100 PolarHBondContact O-N 3.2Å; N98-H100 VanDerWaalsContact C-N 3.25Å; N98-H100 PolarHBondContact O-N 2.77Å; H100-K102 PolarHBondContact O-N 3.49Å
101S86.3Confident81.8Confident44 Ų44124.7 Ų124.731%0.30858%0.584SS.*  trans-68.8131.8179.2-175.10000111.2K97 N98 I99 V103K97-S101 PolarHBondContact O-N 3.09Å; N98-S101 WeakPolarHBondContact O-CB 3.45Å; N98-S101 PolarHBondContact O-N 3.31Å; I99-S101 VanDerWaalsContact C-N 3.31Å; S101-V103 WeakPolarHBondContact OG-CB 3.13Å; S101-V103 WeakPolarHBondContact OG-CG2 3.28Å; S101-V103 PolarHBondContact OG-N 2.73Å
102K83.9Confident80Confident140 Ų140125.4 Ų125.461%0.60959%0.588SS**  trans-96.74.4173.5-57.7-169.1-178.5170.70112.6H100 F104 R105H100-K102 PolarHBondContact O-N 3.49Å; K102-F104 PolarHBondContact O-N 2.94Å; K102-F104 VanDerWaalsContact O-N 3.09Å; K102-R105 HydrophobicContact CB-CG 4.15Å; K102-R105 WeakPolarHBondContact O-CB 3.2Å; K102-R105 PolarHBondContact O-N 3.02Å
103V82Confident78.3Confident105 Ų105132.4 Ų132.464%0.63661%0.614SS**THydrogen-bonded Turntrans-52.1-39.2-169.9169.90000112.1S101S101-V103 WeakPolarHBondContact OG-CB 3.13Å; S101-V103 WeakPolarHBondContact OG-CG2 3.28Å; S101-V103 PolarHBondContact OG-N 2.73Å
104F78.5Confident76.7Confident162 Ų162134.1 Ų134.171%0.71162%0.619SS**THydrogen-bonded Turntrans-100.66.1-178.3-54.6-70.3000115K102 R106 S107K102-F104 PolarHBondContact O-N 2.94Å; K102-F104 VanDerWaalsContact O-N 3.09Å; F104-R106 PolarHBondContact O-N 3Å; F104-R106 VanDerWaalsContact O-N 3.17Å; F104-S107 WeakPolarHBondContact O-CB 3.26Å; F104-S107 PolarHBondContact O-N 3.36Å
105R74.9Confident75.1Confident178 Ų178141.9 Ų141.967%0.67264%0.644SS**THydrogen-bonded Turntrans-62.4-25.9179.1-74.1-170.1-176.3-169.60.9113.2K102K102-R105 HydrophobicContact CB-CG 4.15Å; K102-R105 WeakPolarHBondContact O-CB 3.2Å; K102-R105 PolarHBondContact O-N 3.02Å
106R71.1Confident73.8Confident237 Ų237143.8 Ų143.889%0.89466%0.655SS**THydrogen-bonded Turntrans-92.93.1174.9-69.6-175.7176.1173.8-1.1113.4F104 Q108F104-R106 PolarHBondContact O-N 3Å; F104-R106 VanDerWaalsContact O-N 3.17Å; R106-Q108 PolarHBondContact O-N 3.33Å
107S70.1Confident72.9Confident85 Ų85145.6 Ų145.659%0.59467%0.669SS**  trans-72.672.8168-167.40000108.6F104 S109F104-S107 WeakPolarHBondContact O-CB 3.26Å; F104-S107 PolarHBondContact O-N 3.36Å; S107-S109 PolarHBondContact O-N 2.85Å
108Q61.9Low72.3Confident148 Ų148145.6 Ų145.669%0.69269%0.689SS**  trans-71.593.8158.5-69.9-172.5-300105R106 R110R106-Q108 PolarHBondContact O-N 3.33Å; Q108-R110 PolarHBondContact O-N 3.42Å
109S64.4Low71.8Confident83 Ų83145 Ų14558%0.5870%0.698SS**  trans-61.987.8156.4-166.20000105.2S107 R111S107-S109 PolarHBondContact O-N 2.85Å; S109-R111 PolarHBondContact O-N 3.4Å; S109-R111 WeakPolarHBondContact OG-CG 3.38Å
110R60.5Low71.4Confident191 Ų191144.9 Ų144.972%0.72170%0.703SS**  trans-65.166.1161.3-73-175.8175.8-163-0.4105.9Q108 L112Q108-R110 PolarHBondContact O-N 3.42Å; R110-L112 HydrophobicContact CB-CD2 4.2Å; R110-L112 WeakPolarHBondContact O-CG 3.45Å; R110-L112 PolarHBondContact O-N 3.1Å
111R58.3Low71Confident200 Ų200145.2 Ų145.276%0.75570%0.703SS**  trans-65.299.3152-67-165.4-164.7-169.64.3102.8S109 F113S109-R111 PolarHBondContact O-N 3.4Å; S109-R111 WeakPolarHBondContact OG-CG 3.38Å; R111-F113 VanDerWaalsContact C-N 3.31Å; R111-F113 PolarHBondContact O-N 2.9Å
112L59Low70.6Confident107 Ų107146.4 Ų146.456%0.5671%0.705SS**  trans-58.290.3-166.7-64.7160000109.4R110 Y114R110-L112 HydrophobicContact CB-CD2 4.2Å; R110-L112 WeakPolarHBondContact O-CG 3.45Å; R110-L112 PolarHBondContact O-N 3.1Å; L112-Y114 HydrophobicContact CB-CD2 3.7Å; L112-Y114 HydrophobicContact CB-CE2 3.84Å; L112-Y114 HydrophobicContact CD1-CD2 4.33Å; L112-Y114 HydrophobicContact CD1-CE2 3.74Å; L112-Y114 HydrophobicContact CD2-CD2 4.16Å; L112-Y114 HydrophobicContact CD2-CE2 3.5Å; L112-Y114 HydrophobicContact CG-CD2 4.25Å; L112-Y114 HydrophobicContact CG-CE2 3.85Å; L112-Y114 PolarHBondContact O-N 3.02Å
113F58.6Low70.6Confident199 Ų199143.8 Ų143.887%0.87370%0.702SS**  trans-75.969.8150.4-57.1-70.7000106.3R111 R115R111-F113 VanDerWaalsContact C-N 3.31Å; R111-F113 PolarHBondContact O-N 2.9Å; F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.91Å
114Y61.2Low70.8Confident161 Ų161141.1 Ų141.163%0.63168%0.684SS**  trans-58.7109.5150.6-72.5-67.6000104L112 N116L112-Y114 HydrophobicContact CB-CD2 3.7Å; L112-Y114 HydrophobicContact CB-CE2 3.84Å; L112-Y114 HydrophobicContact CD1-CD2 4.33Å; L112-Y114 HydrophobicContact CD1-CE2 3.74Å; L112-Y114 HydrophobicContact CD2-CD2 4.16Å; L112-Y114 HydrophobicContact CD2-CE2 3.5Å; L112-Y114 HydrophobicContact CG-CD2 4.25Å; L112-Y114 HydrophobicContact CG-CE2 3.85Å; L112-Y114 PolarHBondContact O-N 3.02Å; Y114-N116 WeakPolarHBondContact CB-OD1 3.24Å; Y114-N116 PolarHBondContact O-N 3.2Å
115R61.2Low71.2Confident243 Ų243136.7 Ų136.792%0.91767%0.667SS**  trans-69.871.7172.7-155.5-177.9-165-174.23.9105.9F113 N117F113-R115 VanDerWaalsContact C-N 3.26Å; F113-R115 PolarHBondContact O-N 2.91Å; R115-N117 PolarHBondContact O-N 3.22Å
116N66.8Low71.8Confident133 Ų133128.7 Ų128.771%0.71164%0.637SS**  trans-66.2130.7172.3-71.1-13.9000105.6Y114 A118Y114-N116 WeakPolarHBondContact CB-OD1 3.24Å; Y114-N116 PolarHBondContact O-N 3.2Å; N116-A118 PolarHBondContact O-N 2.73Å
117N74.3Confident72.7Confident156 Ų156121.1 Ų121.183%0.83461%0.614SS**  trans-55.5131.7168.4-70.1-14.1000107.3R115 A119R115-N117 PolarHBondContact O-N 3.22Å; N117-A119 PolarHBondContact O-N 2.95Å
118A79Confident73.6Confident108 Ų108121 Ų12189%0.89360%0.604SS**  trans-60.6107177.400000108.3N116N116-A118 PolarHBondContact O-N 2.73Å
119A80.4Confident74.9Confident91 Ų91114.1 Ų114.175%0.75257%0.572SS**  trans-89136.6172.500000108.6N117 K121N117-A119 PolarHBondContact O-N 2.95Å; A119-K121 PolarHBondContact O-N 2.92Å; A119-K121 VanDerWaalsContact O-N 3.15Å
120V80.5Confident76Confident118 Ų118117.6 Ų117.672%0.71558%0.577SS**  trans-68.2111.8171.1178.60000107.5
121K78.1Confident77.5Confident160 Ų160116 Ų11670%0.69658%0.578SS**  trans-75.2-55.6178.3-171.7177.5178.3179.30110.7A119 E175A119-K121 PolarHBondContact O-N 2.92Å; A119-K121 VanDerWaalsContact O-N 3.15Å; K121-E175 IonicContact NZ-OE1 2.62Å
122N78.4Confident78.9Confident69 Ų69109.1 Ų109.137%0.36956%0.56SS.*  trans-134142.2-173.9-69.4-3.9000110.5L179N122-L179 HydrophobicContact CB-CD2 3.79Å
123T84Confident80.3Confident86 Ų86112.7 Ų112.753%0.52857%0.572SS.*  trans-117.2112.9169.4-54.10000108.5I125 L179T123-I125 HydrophobicContact CG2-CD1 4.19Å; T123-I125 HydrophobicContact CG2-CG1 3.97Å; T123-L179 WeakPolarHBondContact O-CD2 3.49Å
124L85.7Confident81.9Confident49 Ų49104.1 Ų104.126%0.25754%0.535SS..  trans-88.7119.6-179.9-57.1177.5000109L148 I150 W170 V172 L179L124-L148 HydrophobicContact CD1-CD2 3.99Å; L124-I150 HydrophobicContact CD1-CD1 4.49Å; L124-W170 HydrophobicContact CB-CD2 4.25Å; L124-W170 HydrophobicContact CB-CZ2 4.38Å; L124-W170 HydrophobicContact CD1-CB 3.82Å; L124-W170 HydrophobicContact CD1-CD2 4.08Å; L124-W170 HydrophobicContact CD1-CG 3.76Å; L124-W170 HydrophobicContact CD2-CD2 4.03Å; L124-W170 HydrophobicContact CD2-CE3 3.67Å; L124-W170 HydrophobicContact CD2-CG 4.48Å; L124-W170 HydrophobicContact CD2-CZ3 4.08Å; L124-W170 HydrophobicContact CG-CD2 4.34Å; L124-W170 HydrophobicContact CG-CE3 4.46Å; L124-V172 HydrophobicContact CD1-CG2 4.45Å; L124-L179 HydrophobicContact CD2-CD2 4.46Å
125I85.7Confident83.5Confident69 Ų6999 Ų9935%0.35452%0.523SS..  trans-123.7124-178.4-56.3177.3000108.9T123 L179 N180T123-I125 HydrophobicContact CG2-CD1 4.19Å; T123-I125 HydrophobicContact CG2-CG1 3.97Å; I125-L179 PolarHBondContact N-O 2.66Å; I125-N180 WeakPolarHBondContact O-CA 3.4Å
126L89.5Confident85.1Confident10 Ų1091 Ų915%0.05250%0.501CS..  trans-100104.2170.1-173.865.3000109.2E128 A129 K130 Y152 I166 A168 P182L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.61Å; L126-A129 HydrophobicContact CB-CB 4.15Å; L126-A129 HydrophobicContact CD2-CB 3.89Å; L126-A129 HydrophobicContact CG-CB 4.11Å; L126-A129 PolarHBondContact O-N 3.06Å; L126-K130 PolarHBondContact O-N 2.96Å; L126-K130 VanDerWaalsContact O-N 3.17Å; L126-Y152 HydrophobicContact CB-CE2 4.3Å; L126-Y152 HydrophobicContact CD2-CD2 3.83Å; L126-Y152 HydrophobicContact CD2-CE2 3.55Å; L126-I166 HydrophobicContact CD2-CG2 3.9Å; L126-A168 HydrophobicContact CD2-CB 4.02Å; L126-P182 HydrophobicContact CD1-CG 3.92Å
127N89.1Confident86.4Confident77 Ų7786.2 Ų86.241%0.41248%0.476SS..Hα-helixtrans-58.9-40.1-176.5-70.5-20.7000112.4A129 K130 E131N127-A129 PolarHBondContact O-N 3.47Å; N127-K130 WeakPolarHBondContact O-CA 3.36Å; N127-K130 WeakPolarHBondContact O-CB 3.13Å; N127-K130 PolarHBondContact O-N 3.18Å; N127-E131 WeakPolarHBondContact O-CG 3.1Å; N127-E131 PolarHBondContact O-N 2.97Å
128E89.6Confident87.4Confident83 Ų8379.5 Ų79.539%0.38844%0.444SS..Hα-helixtrans-61.3-41.1178.8-62.7175-16300112.8L126 K130 E131 S132 I166 K185L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 2.61Å; E128-K130 VanDerWaalsContact C-N 3.3Å; E128-K130 PolarHBondContact O-N 2.93Å; E128-E131 PolarHBondContact O-N 3.18Å; E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.38Å; E128-S132 PolarHBondContact O-OG 2.86Å; E128-I166 HydrophobicContact CB-CD1 4.41Å; E128-K185 IonicContact OE1-NZ 4Å; E128-K185 PolarHBondContact OE1-NZ 2.99Å; E128-K185 VanDerWaalsContact OE2-CD 3.31Å; E128-K185 WeakPolarHBondContact OE2-CD 3.39Å; E128-K185 WeakPolarHBondContact OE2-CE 3.34Å; E128-K185 IonicContact OE2-NZ 3.79Å; E128-K185 PolarHBondContact OE2-NZ 3.21Å
129A88.5Confident88.1Confident3 Ų378.8 Ų78.83%0.02542%0.424CS..Hα-helixtrans-66.1-35.5174.600000111.5L126 N127 S132 K133 L134 Y152L126-A129 HydrophobicContact CB-CB 4.15Å; L126-A129 HydrophobicContact CD2-CB 3.89Å; L126-A129 HydrophobicContact CG-CB 4.11Å; L126-A129 PolarHBondContact O-N 3.06Å; N127-A129 PolarHBondContact O-N 3.47Å; A129-S132 WeakPolarHBondContact CA-OG 3.39Å; A129-S132 PolarHBondContact O-OG 2.81Å; A129-K133 PolarHBondContact O-N 3.09Å; A129-K133 VanDerWaalsContact O-N 3.15Å; A129-L134 HydrophobicContact CB-CB 4.29Å; A129-L134 PolarHBondContact O-N 2.91Å; A129-Y152 HydrophobicContact CB-CD1 3.48Å; A129-Y152 VanDerWaalsContact CB-CD1 3.48Å; A129-Y152 HydrophobicContact CB-CD2 4.46Å; A129-Y152 HydrophobicContact CB-CE1 3.8Å; A129-Y152 HydrophobicContact CB-CG 3.85Å
130K88.5Confident88.8Confident157 Ų15775.2 Ų75.268%0.68339%0.394SS*.Hα-helixtrans-67.2-43175.6-171.8-177.8179.3-176.40112L126 N127 E128 K133L126-K130 PolarHBondContact O-N 2.96Å; L126-K130 VanDerWaalsContact O-N 3.17Å; N127-K130 WeakPolarHBondContact O-CA 3.36Å; N127-K130 WeakPolarHBondContact O-CB 3.13Å; N127-K130 PolarHBondContact O-N 3.18Å; E128-K130 VanDerWaalsContact C-N 3.3Å; E128-K130 PolarHBondContact O-N 2.93Å; K130-K133 PolarHBondContact O-N 3.4Å
131E90Very high89.4Confident157 Ų15775.6 Ų75.673%0.73438%0.382SS*.Hα-helixtrans-65.1-42.8178.4-73.4170.2-168.200111.7N127 E128 K133N127-E131 WeakPolarHBondContact O-CG 3.1Å; N127-E131 PolarHBondContact O-N 2.97Å; E128-E131 PolarHBondContact O-N 3.18Å; E131-K133 PolarHBondContact O-N 3.21Å
132S87.8Confident90.1Very high55 Ų5568.3 Ų68.339%0.38535%0.351SS..THydrogen-bonded Turntrans-77.92.6175.956.20000114.5E128 A129 L134E128-S132 WeakPolarHBondContact O-CB 3.39Å; E128-S132 PolarHBondContact O-N 3.38Å; E128-S132 PolarHBondContact O-OG 2.86Å; A129-S132 WeakPolarHBondContact CA-OG 3.39Å; A129-S132 PolarHBondContact O-OG 2.81Å; S132-L134 PolarHBondContact O-N 2.89Å; S132-L134 VanDerWaalsContact OG-CD1 3.28Å; S132-L134 WeakPolarHBondContact OG-CD1 3.43Å; S132-L134 VanDerWaalsContact OG-CG 3.29Å; S132-L134 WeakPolarHBondContact OG-CG 3.36Å
133K90.1Very high90.8Very high183 Ų18367.4 Ų67.480%0.79635%0.35SS*.THydrogen-bonded Turntrans52.734.7-177.2-58.7179.6-179.1175.80113.7A129 K130 E131A129-K133 PolarHBondContact O-N 3.09Å; A129-K133 VanDerWaalsContact O-N 3.15Å; K130-K133 PolarHBondContact O-N 3.4Å; E131-K133 PolarHBondContact O-N 3.21Å
134L92.1Very high91.1Very high19 Ų1968.4 Ų68.410%0.09935%0.352CS..PPolyproline II helixtrans-82142.4175.9-61.9173.2000111.1A129 S132 H163 N164 I166A129-L134 HydrophobicContact CB-CB 4.29Å; A129-L134 PolarHBondContact O-N 2.91Å; S132-L134 PolarHBondContact O-N 2.89Å; S132-L134 VanDerWaalsContact OG-CD1 3.28Å; S132-L134 WeakPolarHBondContact OG-CD1 3.43Å; S132-L134 VanDerWaalsContact OG-CG 3.29Å; S132-L134 WeakPolarHBondContact OG-CG 3.36Å; L134-H163 HydrophobicContact CD2-CB 4.2Å; L134-N164 WeakPolarHBondContact CD1-O 3.38Å; L134-I166 HydrophobicContact CD1-CD1 3.93Å; L134-I166 HydrophobicContact CD1-CG1 4.08Å
135S93.8Very high91.3Very high54 Ų5468.3 Ų68.338%0.37836%0.363SS..EExtended strand (participates in β ladder)trans-96.6153.9175.2-68.10000110.6T137 Y152 G153S135-T137 PolarHBondContact O-N 3.16Å; S135-Y152 VanDerWaalsContact O-CA 3.29Å; S135-Y152 WeakPolarHBondContact O-CA 3.48Å; S135-G153 PolarHBondContact N-O 3.19Å; S135-G153 PolarHBondContact O-N 3.05Å
136V94.6Very high91.4Very high75 Ų7567 Ų6746%0.45536%0.358SS..EExtended strand (participates in β ladder)trans-70.8121.6169176.60000108.5L139 I150 S151 Y152V136-L139 HydrophobicContact CG1-CD2 4.16Å; V136-L139 HydrophobicContact CG1-CG 4.11Å; V136-I150 HydrophobicContact CB-CG2 4.44Å; V136-I150 HydrophobicContact CG1-CG2 3.73Å; V136-I150 HydrophobicContact CG2-CG2 3.93Å; V136-S151 WeakPolarHBondContact CA-O 3.49Å; V136-Y152 HydrophobicContact CG2-CD1 3.9Å; V136-Y152 HydrophobicContact CG2-CE1 3.47Å; V136-Y152 VanDerWaalsContact CG2-CE1 3.47Å
137T94.6Very high91.5Very high32 Ų3266.7 Ų66.720%0.19636%0.357CS..EExtended strand (participates in β ladder)trans-101.6-24.2-178.855.50000112.3S135 S151 L155 L192 M193S135-T137 PolarHBondContact O-N 3.16Å; T137-S151 PolarHBondContact N-O 3.3Å; T137-S151 WeakPolarHBondContact OG1-CB 3.45Å; T137-S151 PolarHBondContact OG1-O 2.9Å; T137-S151 PolarHBondContact OG1-OG 2.93Å; T137-L155 HydrophobicContact CG2-CD2 3.93Å; T137-L192 WeakPolarHBondContact CB-O 3.34Å; T137-L192 WeakPolarHBondContact CG2-O 3.41Å; T137-L192 PolarHBondContact OG1-O 3Å; T137-M193 WeakPolarHBondContact CB-O 3.49Å; T137-M193 HydrophobicContact CG2-CE 4.01Å; T137-M193 HydrophobicContact CG2-SD 4.28Å
138G94.3Very high91.6Very high15 Ų1564 Ų6416%0.15534%0.342CS..EExtended strand (participates in β ladder)trans-164.6154.3-174.400000113.4S151G138-S151 WeakPolarHBondContact CA-OG 3.45Å; G138-S151 PolarHBondContact N-OG 3.2Å; G138-S151 PolarHBondContact O-N 2.67Å; G138-S151 PolarHBondContact O-OG 3.25Å
139L94.6Very high91.8Very high93 Ų9360.1 Ų60.149%0.48732%0.324SS..EExtended strand (participates in β ladder)trans-138.7139.7-180-66.9169.7000109.7V136 L148 A149 I150V136-L139 HydrophobicContact CG1-CD2 4.16Å; V136-L139 HydrophobicContact CG1-CG 4.11Å; L139-L148 HydrophobicContact CD2-CD1 4.39Å; L139-A149 WeakPolarHBondContact CA-O 3.33Å; L139-I150 HydrophobicContact CD2-CB 3.86Å; L139-I150 HydrophobicContact CD2-CD1 3.91Å; L139-I150 HydrophobicContact CD2-CG1 3.46Å; L139-I150 VanDerWaalsContact CD2-CG1 3.46Å; L139-I150 HydrophobicContact CD2-CG2 3.64Å
140S95Very high92.1Very high15 Ų1560.4 Ų60.411%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-149.5136.5172.1-167.10000111.8A149 F197S140-A149 PolarHBondContact N-O 2.83Å; S140-A149 PolarHBondContact O-N 3.1Å; S140-F197 WeakPolarHBondContact O-CD2 3.5Å; S140-F197 WeakPolarHBondContact O-CE2 3.24Å; S140-F197 PolarHBondContact OG-N 2.79Å
141W94.4Very high92.4Very high127 Ų12753 Ų5348%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-86147.4167.6-72.799.2000110.8L147 L148 V172 F197W141-L147 WeakPolarHBondContact CA-O 3.45Å; W141-L147 VanDerWaalsContact CE3-O 3.26Å; W141-L148 HydrophobicContact CD2-CB 4.37Å; W141-L148 HydrophobicContact CD2-CD1 3.99Å; W141-L148 HydrophobicContact CE3-CB 4.08Å; W141-L148 HydrophobicContact CG-CD1 4.3Å; W141-L148 HydrophobicContact CH2-CB 4Å; W141-L148 HydrophobicContact CZ2-CB 4.26Å; W141-L148 HydrophobicContact CZ2-CD1 4.12Å; W141-L148 HydrophobicContact CZ2-CD2 4.33Å; W141-L148 HydrophobicContact CZ2-CG 4.48Å; W141-L148 HydrophobicContact CZ3-CB 3.89Å; W141-V172 HydrophobicContact CH2-CB 3.7Å; W141-V172 HydrophobicContact CH2-CG1 4.02Å; W141-V172 HydrophobicContact CH2-CG2 3.55Å; W141-V172 HydrophobicContact CZ3-CB 3.98Å; W141-V172 HydrophobicContact CZ3-CG2 3.89Å; W141-F197 WeakPolarHBondContact O-CB 3.32Å; W141-F197 WeakPolarHBondContact O-CD2 3.25Å
142N92.8Very high92.6Very high6 Ų646.2 Ų46.23%0.03226%0.261CS..  trans-71.9161.5167.871.8-17.3000110.9N144 G145 T146 L147 F197 P202N142-N144 PolarHBondContact O-N 3.33Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N142-G145 PolarHBondContact O-N 2.84Å; N142-G145 PolarHBondContact OD1-N 2.8Å; N142-T146 PolarHBondContact ND2-OG1 2.82Å; N142-T146 PolarHBondContact OD1-N 3.44Å; N142-L147 HydrophobicContact CB-CB 4.23Å; N142-L147 PolarHBondContact N-O 2.99Å; N142-L147 PolarHBondContact OD1-N 3.42Å; N142-L147 PolarHBondContact OD1-O 3.03Å; N142-F197 HydrophobicContact CB-CD1 3.83Å; N142-F197 HydrophobicContact CB-CD2 3.99Å; N142-F197 HydrophobicContact CB-CE1 3.93Å; N142-F197 HydrophobicContact CB-CE2 4.02Å; N142-F197 HydrophobicContact CB-CG 3.88Å; N142-F197 HydrophobicContact CB-CZ 4.01Å; N142-F197 VanDerWaalsContact N-CD2 3.28Å; N142-P202 HydrophobicContact CB-CB 4.44Å
143S91.8Very high92.9Very high51 Ų5143.6 Ų43.636%0.35724%0.242SC..THydrogen-bonded Turntrans-57.9-26.3-179.155.80000113.7P199 P202S143-P199 WeakPolarHBondContact CB-O 3.16Å; S143-P202 WeakPolarHBondContact OG-CA 3.38Å; S143-P202 WeakPolarHBondContact OG-CB 3.28Å
144N90.6Very high93Very high106 Ų10635.7 Ų35.757%0.56721%0.21SC*.THydrogen-bonded Turntrans-82.5-11.5177.1-64.40.3000113.8N142 T146 P202N142-N144 PolarHBondContact O-N 3.33Å; N142-N144 VanDerWaalsContact O-N 3.1Å; N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 HydrophobicContact CB-CG2 4.48Å; N144-T146 PolarHBondContact O-N 2.83Å; N144-P202 HydrophobicContact CB-CB 4.47Å
145G90.1Very high92.9Very high47 Ų4740.3 Ų40.349%0.48524%0.235SC..SBendtrans71.215.6-178.200000115.6N142N142-G145 PolarHBondContact O-N 2.84Å; N142-G145 PolarHBondContact OD1-N 2.8Å
146T88.5Confident92.6Very high41 Ų4142.9 Ų42.925%0.25225%0.251SS..SBendtrans-101.1-33.2-176.754.90000113.4N142 N144 N171 V172N142-T146 PolarHBondContact ND2-OG1 2.82Å; N142-T146 PolarHBondContact OD1-N 3.44Å; N144-T146 VanDerWaalsContact C-N 3.29Å; N144-T146 HydrophobicContact CB-CG2 4.48Å; N144-T146 PolarHBondContact O-N 2.83Å; T146-N171 PolarHBondContact O-OD1 3.03Å; T146-V172 PolarHBondContact O-N 2.89Å
147L90.3Very high92Very high4 Ų441.4 Ų41.42%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-108134.4179.8-65.4-171.7000111.2W141 N142 L169 W170 N171 K183 F197 W221W141-L147 WeakPolarHBondContact CA-O 3.45Å; W141-L147 VanDerWaalsContact CE3-O 3.26Å; N142-L147 HydrophobicContact CB-CB 4.23Å; N142-L147 PolarHBondContact N-O 2.99Å; N142-L147 PolarHBondContact OD1-N 3.42Å; N142-L147 PolarHBondContact OD1-O 3.03Å; L147-L169 HydrophobicContact CD1-CD2 4.38Å; L147-W170 CarbonylContact C-O 3.6Å; L147-W170 WeakPolarHBondContact CA-O 2.95Å; L147-N171 HydrophobicContact CD2-CB 3.66Å; L147-K183 HydrophobicContact CD2-CD 4.48Å; L147-F197 HydrophobicContact CB-CZ 4.29Å; L147-W221 HydrophobicContact CD1-CH2 3.56Å; L147-W221 HydrophobicContact CD1-CZ2 3.25Å; L147-W221 HydrophobicContact CD2-CH2 3.92Å; L147-W221 HydrophobicContact CD2-CZ2 4.46Å; L147-W221 HydrophobicContact CG-CH2 3.74Å; L147-W221 HydrophobicContact CG-CZ2 3.82Å
148L92.1Very high91.4Very high22 Ų2246.6 Ų46.612%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-108.2118.6170178.964.4000109.2L124 L139 W141 I150 L169 W170 V172L124-L148 HydrophobicContact CD1-CD2 3.99Å; L139-L148 HydrophobicContact CD2-CD1 4.39Å; W141-L148 HydrophobicContact CD2-CB 4.37Å; W141-L148 HydrophobicContact CD2-CD1 3.99Å; W141-L148 HydrophobicContact CE3-CB 4.08Å; W141-L148 HydrophobicContact CG-CD1 4.3Å; W141-L148 HydrophobicContact CH2-CB 4Å; W141-L148 HydrophobicContact CZ2-CB 4.26Å; W141-L148 HydrophobicContact CZ2-CD1 4.12Å; W141-L148 HydrophobicContact CZ2-CD2 4.33Å; W141-L148 HydrophobicContact CZ2-CG 4.48Å; W141-L148 HydrophobicContact CZ3-CB 3.89Å; L148-I150 HydrophobicContact CD2-CD1 4.1Å; L148-I150 HydrophobicContact CD2-CG1 4.28Å; L148-I150 HydrophobicContact CG-CD1 4.43Å; L148-I150 HydrophobicContact CG-CG1 4.07Å; L148-L169 WeakPolarHBondContact O-CA 2.74Å; L148-W170 PolarHBondContact N-O 2.86Å; L148-W170 PolarHBondContact O-N 2.83Å; L148-V172 HydrophobicContact CB-CG2 3.95Å
149A93.6Very high90.8Very high0 Ų051.8 Ų51.80%030%0.295CS..EExtended strand (participates in β ladder)trans-94.8134170.500000109.9L139 S140 A168 L169 I195 F197 L205L139-A149 WeakPolarHBondContact CA-O 3.33Å; S140-A149 PolarHBondContact N-O 2.83Å; S140-A149 PolarHBondContact O-N 3.1Å; A149-A168 WeakPolarHBondContact CA-O 3.34Å; A149-L169 HydrophobicContact CB-CD1 4.42Å; A149-L169 HydrophobicContact CB-CG 4.28Å; A149-I195 HydrophobicContact CB-CD1 3.89Å; A149-I195 HydrophobicContact CB-CG1 4.25Å; A149-F197 HydrophobicContact CB-CD2 4.05Å; A149-F197 HydrophobicContact CB-CE2 3.29Å; A149-F197 HydrophobicContact CB-CZ 3.84Å; A149-L205 HydrophobicContact CB-CD1 3.89Å; A149-L205 HydrophobicContact CB-CD2 4.1Å
150I94.5Very high90.3Very high10 Ų1057.8 Ų57.85%0.05131%0.312CS..EExtended strand (participates in β ladder)trans-125.2125.8-179.5-47.2-169.9000108.3L124 V136 L139 L148 Y152 A167 A168L124-I150 HydrophobicContact CD1-CD1 4.49Å; V136-I150 HydrophobicContact CB-CG2 4.44Å; V136-I150 HydrophobicContact CG1-CG2 3.73Å; V136-I150 HydrophobicContact CG2-CG2 3.93Å; L139-I150 HydrophobicContact CD2-CB 3.86Å; L139-I150 HydrophobicContact CD2-CD1 3.91Å; L139-I150 HydrophobicContact CD2-CG1 3.46Å; L139-I150 VanDerWaalsContact CD2-CG1 3.46Å; L139-I150 HydrophobicContact CD2-CG2 3.64Å; L148-I150 HydrophobicContact CD2-CD1 4.1Å; L148-I150 HydrophobicContact CD2-CG1 4.28Å; L148-I150 HydrophobicContact CG-CD1 4.43Å; L148-I150 HydrophobicContact CG-CG1 4.07Å; I150-Y152 HydrophobicContact CB-CE2 3.86Å; I150-Y152 HydrophobicContact CG2-CD2 4.17Å; I150-Y152 HydrophobicContact CG2-CE1 4.16Å; I150-Y152 HydrophobicContact CG2-CE2 3.52Å; I150-A167 CarbonylContact O-C 3.53Å; I150-A167 WeakPolarHBondContact O-CA 3.42Å; I150-A168 PolarHBondContact N-O 2.62Å; I150-A168 PolarHBondContact O-N 2.83Å
151S94.7Very high89.9Confident0 Ų057.8 Ų57.80%031%0.312CS..EExtended strand (participates in β ladder)trans-96.9138.5170.958.20000111V136 T137 G138 I166 L192V136-S151 WeakPolarHBondContact CA-O 3.49Å; T137-S151 PolarHBondContact N-O 3.3Å; T137-S151 WeakPolarHBondContact OG1-CB 3.45Å; T137-S151 PolarHBondContact OG1-O 2.9Å; T137-S151 PolarHBondContact OG1-OG 2.93Å; G138-S151 WeakPolarHBondContact CA-OG 3.45Å; G138-S151 PolarHBondContact N-OG 3.2Å; G138-S151 PolarHBondContact O-N 2.67Å; G138-S151 PolarHBondContact O-OG 3.25Å; S151-I166 CarbonylContact C-O 3.57Å; S151-L192 VanDerWaalsContact CB-CD2 3.41Å
152Y95.1Very high89.6Confident15 Ų1557.6 Ų57.66%0.05932%0.324CS..EExtended strand (participates in β ladder)trans-121135.4177.6-61.5-90.4000109.9L126 A129 S135 V136 I150 G165 I166 A168L126-Y152 HydrophobicContact CB-CE2 4.3Å; L126-Y152 HydrophobicContact CD2-CD2 3.83Å; L126-Y152 HydrophobicContact CD2-CE2 3.55Å; A129-Y152 HydrophobicContact CB-CD1 3.48Å; A129-Y152 VanDerWaalsContact CB-CD1 3.48Å; A129-Y152 HydrophobicContact CB-CD2 4.46Å; A129-Y152 HydrophobicContact CB-CE1 3.8Å; A129-Y152 HydrophobicContact CB-CG 3.85Å; S135-Y152 VanDerWaalsContact O-CA 3.29Å; S135-Y152 WeakPolarHBondContact O-CA 3.48Å; V136-Y152 HydrophobicContact CG2-CD1 3.9Å; V136-Y152 HydrophobicContact CG2-CE1 3.47Å; V136-Y152 VanDerWaalsContact CG2-CE1 3.47Å; I150-Y152 HydrophobicContact CB-CE2 3.86Å; I150-Y152 HydrophobicContact CG2-CD2 4.17Å; I150-Y152 HydrophobicContact CG2-CE1 4.16Å; I150-Y152 HydrophobicContact CG2-CE2 3.52Å; Y152-G165 WeakPolarHBondContact O-CA 3.32Å; Y152-I166 HydrophobicContact CD2-CB 4.37Å; Y152-I166 PolarHBondContact N-O 2.87Å; Y152-I166 PolarHBondContact O-N 2.65Å; Y152-I166 VanDerWaalsContact O-N 3.08Å; Y152-A168 HydrophobicContact CE2-CB 3.93Å
153G93.7Very high89.4Confident0 Ų060.8 Ų60.80%034%0.339CS..EExtended strand (participates in β ladder)trans-163164.7179.700000110.5S135S135-G153 PolarHBondContact N-O 3.19Å; S135-G153 PolarHBondContact O-N 3.05Å
154S92.7Very high89.4Confident18 Ų1862.9 Ų62.913%0.12635%0.346CS..  trans-79139.8166.9-178.90000109.4C156 H157 M193S154-C156 PolarHBondContact OG-N 3.43Å; S154-C156 PolarHBondContact OG-O 2.91Å; S154-H157 PolarHBondContact O-NE2 2.85Å; S154-H157 VanDerWaalsContact O-NE2 3.08Å; S154-M193 VanDerWaalsContact O-CE 3.27Å; S154-M193 WeakPolarHBondContact O-CE 3.43Å
155L88.6Confident89.4Confident116 Ų11657.8 Ų57.861%0.60732%0.319SS*.SBendtrans-90.7-12.6172.5-65.4173.7000112T137T137-L155 HydrophobicContact CG2-CD2 3.93Å
156C87.1Confident89.6Confident107 Ų10756 Ų5672%0.72330%0.298SS*.  trans-117107.6-176.9-62.30000109S154S154-C156 PolarHBondContact OG-N 3.43Å; S154-C156 PolarHBondContact OG-O 2.91Å
157H83.5Confident89.9Confident45 Ų4554.4 Ų54.421%0.20829%0.289CS..  trans-116.3124.7173.8-69.4-54.9000108.7S154 H163 C191 F210S154-H157 PolarHBondContact O-NE2 2.85Å; S154-H157 VanDerWaalsContact O-NE2 3.08Å; H157-H163 AromaticContact CE1-ND1 3.6Å; H157-H163 AromaticContact ND1-ND1 3.86Å; H157-C191 PolarHBondContact CE1-SG 3.24Å; H157-C191 PolarHBondContact NE2-SG 2.9Å; H157-F210 HydrophobicContact CB-CE2 4.37Å; H157-F210 HydrophobicContact CB-CZ 4.03Å; H157-F210 AromaticContact CD2-CD2 3.53Å; H157-F210 AromaticContact CD2-CE2 3.44Å; H157-F210 VanDerWaalsContact CD2-CE2 3.44Å; H157-F210 WeakPolarHBondContact CD2-CE2 3.4Å; H157-F210 AromaticContact CD2-CZ 3.83Å
158T80.4Confident90Very high141 Ų14154.2 Ų54.287%0.86529%0.288SS*.SBendtrans-84.7-30.9171.153.30000111.4
159D83.2Confident90Very high124 Ų12453.3 Ų53.366%0.66328%0.283SS*.SBendtrans-138.7-157.3179.4-67.7-64.2000110.1C161D159-C161 PolarHBondContact O-N 3.27Å
160W83.8Confident89.8Confident219 Ų21953.5 Ų53.583%0.8328%0.284SS*.SBendtrans-46.8137.9167.4-57.797.9000111.5T162W160-T162 PolarHBondContact O-N 2.72Å; W160-T162 VanDerWaalsContact O-N 3.1Å
161C86.6Confident89.5Confident15 Ų1554.5 Ų54.510%0.10129%0.29CS..  trans-65.8115.4177.7159.40000109.6D159 H163 C191 F210D159-C161 PolarHBondContact O-N 3.27Å; C161-H163 PolarHBondContact SG-O 2.97Å; C161-C191 HydrophobicContact CB-CB 4.28Å; C161-C191 WeakPolarHBondContact CB-SG 3.47Å; C161-C191 WeakPolarHBondContact SG-CB 3.49Å; C161-C191 PolarHBondContact SG-N 2.87Å; C161-C191 CovalentContact SG-SG 2.08Å; C161-C191 PolarHBondContact SG-SG 2.81Å; C161-F210 HydrophobicContact CB-CB 4.24Å; C161-F210 HydrophobicContact CB-CD1 3.65Å; C161-F210 HydrophobicContact CB-CE1 4.3Å; C161-F210 HydrophobicContact CB-CG 4.09Å
162T87.1Confident88.9Confident122 Ų12257.1 Ų57.175%0.74831%0.305SS*.  trans-98.3-0.1172.353.20000113.1W160W160-T162 PolarHBondContact O-N 2.72Å; W160-T162 VanDerWaalsContact O-N 3.1Å
163H89.5Confident88.1Confident73 Ų7360 Ų6034%0.33833%0.328SS..SBendtrans-93142.7-177.8-47.380000110.4L134 H157 C161 T190 C191L134-H163 HydrophobicContact CD2-CB 4.2Å; H157-H163 AromaticContact CE1-ND1 3.6Å; H157-H163 AromaticContact ND1-ND1 3.86Å; C161-H163 PolarHBondContact SG-O 2.97Å; H163-T190 CarbonylContact O-C 3.56Å; H163-C191 PolarHBondContact O-N 3.15Å; H163-C191 PolarHBondContact O-SG 3.36Å
164N91.4Very high87Confident95 Ų9563.6 Ų63.651%0.50835%0.347SS..PPolyproline II helixtrans-73.4135.3172.3-64-14.4000109.8L134 V187 T188L134-N164 WeakPolarHBondContact CD1-O 3.38Å; N164-V187 HydrophobicContact CB-CG1 4.02Å; N164-T188 WeakPolarHBondContact CA-O 3.37Å; N164-T188 WeakPolarHBondContact CB-O 3.4Å
165G91.7Very high85.6Confident0 Ų070.5 Ų70.50%038%0.377CS..EExtended strand (participates in β ladder)trans-82.3151.2168.500000110.5Y152 V187 T188 T190Y152-G165 WeakPolarHBondContact O-CA 3.32Å; G165-V187 WeakPolarHBondContact O-CA 3.46Å; G165-T188 VanDerWaalsContact CA-OG1 3.26Å; G165-T188 WeakPolarHBondContact CA-OG1 3.29Å; G165-T188 PolarHBondContact N-O 3.21Å; G165-T188 VanDerWaalsContact N-O 3.09Å; G165-T188 PolarHBondContact O-N 2.94Å; G165-T188 PolarHBondContact O-OG1 2.65Å; G165-T190 VanDerWaalsContact CA-O 3.32Å; G165-T190 WeakPolarHBondContact CA-O 3.45Å; G165-T190 PolarHBondContact N-O 3.12Å; G165-T190 VanDerWaalsContact N-O 3.12Å
166I93.8Very high84.2Confident10 Ų1071.7 Ų71.75%0.05138%0.383CS..EExtended strand (participates in β ladder)trans-130.3132174.9-52.6175000109.1L126 E128 L134 S151 Y152 K185 Y186L126-I166 HydrophobicContact CD2-CG2 3.9Å; E128-I166 HydrophobicContact CB-CD1 4.41Å; L134-I166 HydrophobicContact CD1-CD1 3.93Å; L134-I166 HydrophobicContact CD1-CG1 4.08Å; S151-I166 CarbonylContact C-O 3.57Å; Y152-I166 HydrophobicContact CD2-CB 4.37Å; Y152-I166 PolarHBondContact N-O 2.87Å; Y152-I166 PolarHBondContact O-N 2.65Å; Y152-I166 VanDerWaalsContact O-N 3.08Å; I166-K185 HydrophobicContact CG2-CD 4.08Å; I166-K185 HydrophobicContact CG2-CG 3.69Å; I166-Y186 CarbonylContact C-O 3.57Å; I166-Y186 VanDerWaalsContact CA-O 3.29Å; I166-Y186 WeakPolarHBondContact CA-O 3.34Å
167A93.8Very high82.8Confident7 Ų768.4 Ų68.46%0.05836%0.361CS..EExtended strand (participates in β ladder)trans-107.7127.8162.800000109.3I150 K185 Y186 L192 I195I150-A167 CarbonylContact O-C 3.53Å; I150-A167 WeakPolarHBondContact O-CA 3.42Å; A167-K185 CarbonylContact O-C 3.51Å; A167-K185 VanDerWaalsContact O-CA 3.32Å; A167-K185 WeakPolarHBondContact O-CA 3.33Å; A167-Y186 HydrophobicContact CB-CD2 4.06Å; A167-Y186 PolarHBondContact N-O 2.96Å; A167-Y186 PolarHBondContact O-N 2.89Å; A167-L192 HydrophobicContact CB-CD2 3.66Å; A167-I195 HydrophobicContact CB-CD1 3.74Å
168A92.2Very high81.7Confident0 Ų070.7 Ų70.70%038%0.378CS..EExtended strand (participates in β ladder)trans-121.3130.6177.800000110.6L126 A149 I150 Y152 P182L126-A168 HydrophobicContact CD2-CB 4.02Å; A149-A168 WeakPolarHBondContact CA-O 3.34Å; I150-A168 PolarHBondContact N-O 2.62Å; I150-A168 PolarHBondContact O-N 2.83Å; Y152-A168 HydrophobicContact CE2-CB 3.93Å; A168-P182 HydrophobicContact CB-CB 3.9Å; A168-P182 HydrophobicContact CB-CG 4.14Å
169L92.3Very high81.1Confident2 Ų267.5 Ų67.51%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-106123.8178.8-77.368.4000109.4L147 L148 A149 P182 K183 Q184 Y186 F197 L205L147-L169 HydrophobicContact CD1-CD2 4.38Å; L148-L169 WeakPolarHBondContact O-CA 2.74Å; A149-L169 HydrophobicContact CB-CD1 4.42Å; A149-L169 HydrophobicContact CB-CG 4.28Å; L169-P182 CarbonylContact O-C 3.57Å; L169-P182 WeakPolarHBondContact O-CB 3.31Å; L169-K183 PolarHBondContact O-N 3.08Å; L169-Q184 HydrophobicContact CB-CB 4.27Å; L169-Q184 PolarHBondContact N-O 2.79Å; L169-Q184 PolarHBondContact O-N 2.81Å; L169-Y186 HydrophobicContact CD1-CD2 3.83Å; L169-Y186 HydrophobicContact CD1-CE2 3.44Å; L169-Y186 VanDerWaalsContact CD1-CE2 3.44Å; L169-Y186 HydrophobicContact CD2-CE2 4.31Å; L169-F197 HydrophobicContact CD2-CZ 4.19Å; L169-F197 HydrophobicContact CG-CZ 4.48Å; L169-L205 HydrophobicContact CD1-CD2 3.78Å; L169-L205 HydrophobicContact CD2-CD2 4.19Å; L169-L205 HydrophobicContact CG-CD2 4.27Å
170W89.9Confident80.7Confident4 Ų465.2 Ų65.22%0.01534%0.343CS..EExtended strand (participates in β ladder)trans-114.3129.4-179.4-64.288.4000109.9L124 L147 L148 V172 L179 T181 P182L124-W170 HydrophobicContact CB-CD2 4.25Å; L124-W170 HydrophobicContact CB-CZ2 4.38Å; L124-W170 HydrophobicContact CD1-CB 3.82Å; L124-W170 HydrophobicContact CD1-CD2 4.08Å; L124-W170 HydrophobicContact CD1-CG 3.76Å; L124-W170 HydrophobicContact CD2-CD2 4.03Å; L124-W170 HydrophobicContact CD2-CE3 3.67Å; L124-W170 HydrophobicContact CD2-CG 4.48Å; L124-W170 HydrophobicContact CD2-CZ3 4.08Å; L124-W170 HydrophobicContact CG-CD2 4.34Å; L124-W170 HydrophobicContact CG-CE3 4.46Å; L147-W170 CarbonylContact C-O 3.6Å; L147-W170 WeakPolarHBondContact CA-O 2.95Å; L148-W170 PolarHBondContact N-O 2.86Å; L148-W170 PolarHBondContact O-N 2.83Å; W170-V172 PolarHBondContact O-N 2.82Å; W170-L179 WeakPolarHBondContact CH2-O 3.12Å; W170-L179 WeakPolarHBondContact CZ3-O 3.46Å; W170-T181 VanDerWaalsContact CZ3-C 3.49Å; W170-T181 WeakPolarHBondContact CZ3-O 3.47Å; W170-P182 HydrophobicContact CD2-CB 4.08Å; W170-P182 HydrophobicContact CE3-CB 4.48Å; W170-P182 HydrophobicContact CH2-CB 4.49Å; W170-P182 HydrophobicContact CZ2-CB 4.05Å; W170-P182 HydrophobicContact CZ2-CG 4.45Å
171N88.2Confident80.7Confident32 Ų3258.9 Ų58.917%0.17133%0.329CS..EExtended strand (participates in β ladder)trans-85.8109.6169.3-173.3-6.9000109T146 L147 S173 S177 K183T146-N171 PolarHBondContact O-OD1 3.03Å; L147-N171 HydrophobicContact CD2-CB 3.66Å; N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.82Å; N171-S177 PolarHBondContact O-OG 3.34Å; N171-K183 HydrophobicContact CB-CD 4.48Å
172V82.5Confident80.7Confident54 Ų5459.4 Ų59.433%0.32733%0.332SS..SBendtrans-90.3-13.2-177.4-171.60000111.6L124 W141 T146 L148 W170 N174L124-V172 HydrophobicContact CD1-CG2 4.45Å; W141-V172 HydrophobicContact CH2-CB 3.7Å; W141-V172 HydrophobicContact CH2-CG1 4.02Å; W141-V172 HydrophobicContact CH2-CG2 3.55Å; W141-V172 HydrophobicContact CZ3-CB 3.98Å; W141-V172 HydrophobicContact CZ3-CG2 3.89Å; T146-V172 PolarHBondContact O-N 2.89Å; L148-V172 HydrophobicContact CB-CG2 3.95Å; W170-V172 PolarHBondContact O-N 2.82Å; V172-N174 VanDerWaalsContact C-N 3.34Å
173S79Confident80.7Confident76 Ų7659.3 Ų59.353%0.53132%0.321SS..SBendtrans-75-23178.268.30000113.6N171N171-S173 PolarHBondContact OD1-N 2.86Å; N171-S173 PolarHBondContact OD1-OG 2.82Å
174N68.9Low80.7Confident75 Ų7559.3 Ų59.340%0.40132%0.321SS..  trans-94.9117.8-176.7-164.23.9000110.3V172 I176 S177V172-N174 VanDerWaalsContact C-N 3.34Å; N174-I176 PolarHBondContact O-N 3.4Å; N174-I176 PolarHBondContact OD1-N 3.06Å; N174-S177 WeakPolarHBondContact O-CB 3.12Å; N174-S177 PolarHBondContact O-N 3.17Å; N174-S177 PolarHBondContact O-OG 2.87Å
175E64.4Low80.7Confident164 Ų16458.7 Ų58.777%0.76631%0.314SS*.THydrogen-bonded Turntrans-65.3-19179.2-58.5-164.9146.500112.5K121 S177K121-E175 IonicContact NZ-OE1 2.62Å; E175-S177 VanDerWaalsContact C-N 3.32Å
176I59Low80.7Confident140 Ų14060.4 Ų60.472%0.71832%0.321SS*.THydrogen-bonded Turntrans-90.43.3-177.3-42176.5000111.6N174 V178N174-I176 PolarHBondContact O-N 3.4Å; N174-I176 PolarHBondContact OD1-N 3.06Å; I176-V178 PolarHBondContact O-N 3.49Å
177S58Low80.6Confident38 Ų3864 Ų6427%0.26634%0.343SS..  trans-65113.1-179.2-51.70000109.7N171 N174 E175 L179N171-S177 PolarHBondContact O-OG 3.34Å; N174-S177 WeakPolarHBondContact O-CB 3.12Å; N174-S177 PolarHBondContact O-N 3.17Å; N174-S177 PolarHBondContact O-OG 2.87Å; E175-S177 VanDerWaalsContact C-N 3.32Å; S177-L179 PolarHBondContact O-N 3.23Å
178V60.8Low80.5Confident93 Ų9364.4 Ų64.456%0.56435%0.345SS*.  trans-55.2109.1172.1174.90000107.2I176 N180 T181I176-V178 PolarHBondContact O-N 3.49Å; V178-N180 PolarHBondContact O-N 3.01Å; V178-T181 WeakPolarHBondContact CB-OG1 3.26Å; V178-T181 HydrophobicContact CG1-CG2 4.21Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.43Å
179L67.8Low80.5Confident74 Ų7468.3 Ų68.339%0.38737%0.366SS..THydrogen-bonded Turntrans-54.2-15.5-170.2-78.3140.9000114.7N122 T123 L124 I125 W170 S177N122-L179 HydrophobicContact CB-CD2 3.79Å; T123-L179 WeakPolarHBondContact O-CD2 3.49Å; L124-L179 HydrophobicContact CD2-CD2 4.46Å; I125-L179 PolarHBondContact N-O 2.66Å; W170-L179 WeakPolarHBondContact CH2-O 3.12Å; W170-L179 WeakPolarHBondContact CZ3-O 3.46Å; S177-L179 PolarHBondContact O-N 3.23Å
180N74.5Confident80.4Confident77 Ų7768.8 Ų68.841%0.41237%0.369SS..THydrogen-bonded Turntrans-112.1-0.7-174.4-62.4-20.1000114.3I125 V178I125-N180 WeakPolarHBondContact O-CA 3.4Å; V178-N180 PolarHBondContact O-N 3.01Å
181T83Confident80.6Confident86 Ų8668.6 Ų68.653%0.52837%0.368SS..SBendtrans-126.1111.8178.357.70000110.4W170 V178W170-T181 VanDerWaalsContact CZ3-C 3.49Å; W170-T181 WeakPolarHBondContact CZ3-O 3.47Å; V178-T181 WeakPolarHBondContact CB-OG1 3.26Å; V178-T181 HydrophobicContact CG1-CG2 4.21Å; V178-T181 WeakPolarHBondContact CG1-OG1 3.45Å; V178-T181 PolarHBondContact O-N 3.43Å
182P87.9Confident80.9Confident26 Ų2667.3 Ų67.317%0.16936%0.361CS..  trans-64.1152.6176.229-35.4000110.5L126 A168 L169 W170 Q184 K185L126-P182 HydrophobicContact CD1-CG 3.92Å; A168-P182 HydrophobicContact CB-CB 3.9Å; A168-P182 HydrophobicContact CB-CG 4.14Å; L169-P182 CarbonylContact O-C 3.57Å; L169-P182 WeakPolarHBondContact O-CB 3.31Å; W170-P182 HydrophobicContact CD2-CB 4.08Å; W170-P182 HydrophobicContact CE3-CB 4.48Å; W170-P182 HydrophobicContact CH2-CB 4.49Å; W170-P182 HydrophobicContact CZ2-CB 4.05Å; W170-P182 HydrophobicContact CZ2-CG 4.45Å; P182-Q184 VanDerWaalsContact C-N 3.27Å; P182-Q184 PolarHBondContact O-N 2.73Å; P182-K185 HydrophobicContact CG-CB 4.21Å
183K86.6Confident81.4Confident119 Ų11967.2 Ų67.252%0.51736%0.357SS..SBendtrans-62.4-39.9176-178.5176.9178.5-177.70111L147 L169 N171L147-K183 HydrophobicContact CD2-CD 4.48Å; L169-K183 PolarHBondContact O-N 3.08Å; N171-K183 HydrophobicContact CB-CD 4.48Å
184Q89.1Confident82.1Confident73 Ų7366.8 Ų66.834%0.34135%0.354SS..EExtended strand (participates in β ladder)trans-144.9145.7178.3-163.5164.53.100109.6L169 P182 Y186L169-Q184 HydrophobicContact CB-CB 4.27Å; L169-Q184 PolarHBondContact N-O 2.79Å; L169-Q184 PolarHBondContact O-N 2.81Å; P182-Q184 VanDerWaalsContact C-N 3.27Å; P182-Q184 PolarHBondContact O-N 2.73Å; Q184-Y186 HydrophobicContact CG-CE1 3.67Å; Q184-Y186 HydrophobicContact CG-CE2 4.08Å; Q184-Y186 VanDerWaalsContact CG-CZ 3.46Å; Q184-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q184-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q184-Y186 PolarHBondContact NE2-OH 3.34Å; Q184-Y186 PolarHBondContact OE1-OH 2.95Å
185K90.9Very high83.3Confident82 Ų8263.4 Ų63.436%0.35734%0.336SS..EExtended strand (participates in β ladder)trans-138.3136.9-177.1-177-171.464.8173.60109.2E128 I166 A167 P182E128-K185 IonicContact OE1-NZ 4Å; E128-K185 PolarHBondContact OE1-NZ 2.99Å; E128-K185 VanDerWaalsContact OE2-CD 3.31Å; E128-K185 WeakPolarHBondContact OE2-CD 3.39Å; E128-K185 WeakPolarHBondContact OE2-CE 3.34Å; E128-K185 IonicContact OE2-NZ 3.79Å; E128-K185 PolarHBondContact OE2-NZ 3.21Å; I166-K185 HydrophobicContact CG2-CD 4.08Å; I166-K185 HydrophobicContact CG2-CG 3.69Å; A167-K185 CarbonylContact O-C 3.51Å; A167-K185 VanDerWaalsContact O-CA 3.32Å; A167-K185 WeakPolarHBondContact O-CA 3.33Å; P182-K185 HydrophobicContact CG-CB 4.21Å
186Y91.7Very high84.8Confident37 Ų3762 Ų6215%0.14533%0.327CS..EExtended strand (participates in β ladder)trans-124.9136.9177.4-49.2-66.8000109.3I166 A167 L169 Q184 E217I166-Y186 CarbonylContact C-O 3.57Å; I166-Y186 VanDerWaalsContact CA-O 3.29Å; I166-Y186 WeakPolarHBondContact CA-O 3.34Å; A167-Y186 HydrophobicContact CB-CD2 4.06Å; A167-Y186 PolarHBondContact N-O 2.96Å; A167-Y186 PolarHBondContact O-N 2.89Å; L169-Y186 HydrophobicContact CD1-CD2 3.83Å; L169-Y186 HydrophobicContact CD1-CE2 3.44Å; L169-Y186 VanDerWaalsContact CD1-CE2 3.44Å; L169-Y186 HydrophobicContact CD2-CE2 4.31Å; Q184-Y186 HydrophobicContact CG-CE1 3.67Å; Q184-Y186 HydrophobicContact CG-CE2 4.08Å; Q184-Y186 VanDerWaalsContact CG-CZ 3.46Å; Q184-Y186 VanDerWaalsContact NE2-CE1 3.3Å; Q184-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q184-Y186 PolarHBondContact NE2-OH 3.34Å; Q184-Y186 PolarHBondContact OE1-OH 2.95Å; Y186-E217 WeakPolarHBondContact CD1-OE2 3.37Å; Y186-E217 WeakPolarHBondContact CD2-OE2 3.42Å; Y186-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.34Å; Y186-E217 VanDerWaalsContact CE2-OE2 3.26Å; Y186-E217 WeakPolarHBondContact CE2-OE2 3.48Å; Y186-E217 PolarHBondContact OH-OE1 3.35Å; Y186-E217 PolarHBondContact OH-OE2 3.42Å
187V92.5Very high86.5Confident84 Ų8456.2 Ų56.251%0.50930%0.297SS..EExtended strand (participates in β ladder)trans-116.8127.8179.3-176.70000107.6N164 G165N164-V187 HydrophobicContact CB-CG1 4.02Å; G165-V187 WeakPolarHBondContact O-CA 3.46Å
188T91.8Very high88.2Confident17 Ų1757.7 Ų57.710%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-107.7151.8177.751.90000110.2N164 G165 T190 Y215N164-T188 WeakPolarHBondContact CA-O 3.37Å; N164-T188 WeakPolarHBondContact CB-O 3.4Å; G165-T188 VanDerWaalsContact CA-OG1 3.26Å; G165-T188 WeakPolarHBondContact CA-OG1 3.29Å; G165-T188 PolarHBondContact N-O 3.21Å; G165-T188 VanDerWaalsContact N-O 3.09Å; G165-T188 PolarHBondContact O-N 2.94Å; G165-T188 PolarHBondContact O-OG1 2.65Å; T188-T190 WeakPolarHBondContact CB-O 3.2Å; T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 PolarHBondContact OG1-O 3.34Å; T188-Y215 HydrophobicContact CG2-CD2 3.64Å; T188-Y215 HydrophobicContact CG2-CE2 3.55Å; T188-Y215 HydrophobicContact CG2-CG 4.32Å
189D90.8Very high89.8Confident82 Ų8258.3 Ų58.344%0.43931%0.305SS..SBendtrans-60.8-22.2175.961.7-17.5000113.5K213 Y215D189-K213 IonicContact OD2-NZ 2.65Å; D189-Y215 PolarHBondContact OD1-OH 3.26Å
190T91.9Very high91Very high12 Ų1261.3 Ų61.37%0.07432%0.32CS..SBendtrans-134.7156.8-175.650.40000110H163 G165 T188 L192 T209 T211H163-T190 CarbonylContact O-C 3.56Å; G165-T190 VanDerWaalsContact CA-O 3.32Å; G165-T190 WeakPolarHBondContact CA-O 3.45Å; G165-T190 PolarHBondContact N-O 3.12Å; G165-T190 VanDerWaalsContact N-O 3.12Å; T188-T190 WeakPolarHBondContact CB-O 3.2Å; T188-T190 PolarHBondContact O-N 3.09Å; T188-T190 PolarHBondContact OG1-O 3.34Å; T190-L192 PolarHBondContact O-N 3.34Å; T190-T209 WeakPolarHBondContact OG1-CB 3.4Å; T190-T209 WeakPolarHBondContact OG1-CG2 3.39Å; T190-T211 HydrophobicContact CG2-CG2 3.72Å
191C93.3Very high91.8Very high0 Ų060.3 Ų60.30%032%0.317CS..  trans-56.4125.4-177.7-52.60000111.5H157 C161 H163 M193 T209 F210H157-C191 PolarHBondContact CE1-SG 3.24Å; H157-C191 PolarHBondContact NE2-SG 2.9Å; C161-C191 HydrophobicContact CB-CB 4.28Å; C161-C191 WeakPolarHBondContact CB-SG 3.47Å; C161-C191 WeakPolarHBondContact SG-CB 3.49Å; C161-C191 PolarHBondContact SG-N 2.87Å; C161-C191 CovalentContact SG-SG 2.08Å; C161-C191 PolarHBondContact SG-SG 2.81Å; H163-C191 PolarHBondContact O-N 3.15Å; H163-C191 PolarHBondContact O-SG 3.36Å; C191-M193 HydrophobicContact CB-CE 3.33Å; C191-T209 CarbonylContact O-C 3.54Å; C191-T209 VanDerWaalsContact O-CA 3.29Å; C191-T209 WeakPolarHBondContact O-CA 3.34Å; C191-F210 HydrophobicContact CB-CB 4.11Å; C191-F210 PolarHBondContact O-N 2.78Å
192L93.8Very high92.1Very high5 Ų557.7 Ų57.73%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-83.7122.4177.9-161.572000109.1T137 S151 A167 T190 I195 G208 T209T137-L192 WeakPolarHBondContact CB-O 3.34Å; T137-L192 WeakPolarHBondContact CG2-O 3.41Å; T137-L192 PolarHBondContact OG1-O 3Å; S151-L192 VanDerWaalsContact CB-CD2 3.41Å; A167-L192 HydrophobicContact CB-CD2 3.66Å; T190-L192 PolarHBondContact O-N 3.34Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; L192-G208 WeakPolarHBondContact CD1-O 3.4Å; L192-T209 HydrophobicContact CD1-CG2 3.93Å
193M93.3Very high92.2Very high51 Ų5157.7 Ų57.725%0.25130%0.302SS..EExtended strand (participates in β ladder)trans-103.4-29.9-172-69.3-61.3115.100113.1T137 S154 C191 G208 F210T137-M193 WeakPolarHBondContact CB-O 3.49Å; T137-M193 HydrophobicContact CG2-CE 4.01Å; T137-M193 HydrophobicContact CG2-SD 4.28Å; S154-M193 VanDerWaalsContact O-CE 3.27Å; S154-M193 WeakPolarHBondContact O-CE 3.43Å; C191-M193 HydrophobicContact CB-CE 3.33Å; M193-G208 PolarHBondContact N-O 2.63Å; M193-F210 HydrophobicContact CE-CB 4.49Å; M193-F210 HydrophobicContact CG-CB 4.11Å; M193-F210 HydrophobicContact CG-CD2 4.49Å; M193-F210 HydrophobicContact SD-CD2 4.48Å
194C93.8Very high92.5Very high68 Ų6853.8 Ų53.846%0.45929%0.287SS..EExtended strand (participates in β ladder)trans-146.4155.8177.764.30000111G207 G208C194-G207 CarbonylContact O-C 3.53Å; C194-G207 VanDerWaalsContact O-CA 3.25Å; C194-G207 WeakPolarHBondContact O-CA 3.39Å; C194-G208 PolarHBondContact N-O 3.43Å; C194-G208 PolarHBondContact O-N 2.96Å
195I94.7Very high92.7Very high4 Ų450.8 Ų50.82%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-148.6136.2178.6-164.6160.8000110A149 A167 L192 L205 A206A149-I195 HydrophobicContact CB-CD1 3.89Å; A149-I195 HydrophobicContact CB-CG1 4.25Å; A167-I195 HydrophobicContact CB-CD1 3.74Å; L192-I195 HydrophobicContact CD2-CD1 4.19Å; I195-L205 HydrophobicContact CD1-CD1 4.1Å; I195-L205 HydrophobicContact CD1-CD2 3.96Å; I195-L205 HydrophobicContact CD1-CG 4.17Å; I195-L205 HydrophobicContact CG1-CD1 3.6Å; I195-L205 HydrophobicContact CG1-CD2 4.35Å; I195-L205 HydrophobicContact CG1-CG 4.02Å; I195-A206 CarbonylContact C-O 3.56Å; I195-A206 WeakPolarHBondContact CA-O 3.34Å
196K95.4Very high92.8Very high135 Ų13548.9 Ų48.959%0.58727%0.272SS*.EExtended strand (participates in β ladder)trans-146.9129.9-179-70.3-62.3177.4-173.40111.6A206K196-A206 PolarHBondContact N-O 2.89Å; K196-A206 PolarHBondContact O-N 3.24Å
197F95Very high93Very high17 Ų1747.5 Ų47.58%0.07527%0.269CS..EExtended strand (participates in β ladder)trans-77.6154.1167.4-82.6-77.2000111.1S140 W141 N142 L147 A149 L169 L204 L205S140-F197 WeakPolarHBondContact O-CD2 3.5Å; S140-F197 WeakPolarHBondContact O-CE2 3.24Å; S140-F197 PolarHBondContact OG-N 2.79Å; W141-F197 WeakPolarHBondContact O-CB 3.32Å; W141-F197 WeakPolarHBondContact O-CD2 3.25Å; N142-F197 HydrophobicContact CB-CD1 3.83Å; N142-F197 HydrophobicContact CB-CD2 3.99Å; N142-F197 HydrophobicContact CB-CE1 3.93Å; N142-F197 HydrophobicContact CB-CE2 4.02Å; N142-F197 HydrophobicContact CB-CG 3.88Å; N142-F197 HydrophobicContact CB-CZ 4.01Å; N142-F197 VanDerWaalsContact N-CD2 3.28Å; L147-F197 HydrophobicContact CB-CZ 4.29Å; A149-F197 HydrophobicContact CB-CD2 4.05Å; A149-F197 HydrophobicContact CB-CE2 3.29Å; A149-F197 HydrophobicContact CB-CZ 3.84Å; L169-F197 HydrophobicContact CD2-CZ 4.19Å; L169-F197 HydrophobicContact CG-CZ 4.48Å; F197-L204 WeakPolarHBondContact CA-O 3.29Å; F197-L204 WeakPolarHBondContact CD1-O 3.26Å; F197-L205 HydrophobicContact CB-CD1 4.48Å; F197-L205 HydrophobicContact CD1-CB 4.18Å; F197-L205 HydrophobicContact CD1-CD1 3.78Å; F197-L205 HydrophobicContact CD2-CD1 3.8Å; F197-L205 HydrophobicContact CE1-CB 4.09Å; F197-L205 HydrophobicContact CE1-CD1 3.86Å; F197-L205 HydrophobicContact CE1-CD2 4.39Å; F197-L205 HydrophobicContact CE1-CG 4.36Å; F197-L205 HydrophobicContact CE2-CD1 3.94Å; F197-L205 HydrophobicContact CG-CD1 3.74Å; F197-L205 HydrophobicContact CZ-CD1 3.95Å; F197-L205 HydrophobicContact CZ-CD2 4.33Å
198H93.9Very high93.1Very high70 Ų7044.2 Ų44.232%0.32425%0.252SS..  trans-69.1137.1171-169.3-97.2000110.9I200 V201 L204H198-I200 PolarHBondContact ND1-N 2.72Å; H198-I200 PolarHBondContact O-N 2.86Å; H198-V201 HydrophobicContact CB-CB 4.14Å; H198-V201 PolarHBondContact ND1-N 3.25Å; H198-L204 HydrophobicContact CB-CB 3.79Å; H198-L204 HydrophobicContact CB-CD2 3.87Å; H198-L204 HydrophobicContact CB-CG 4.17Å; H198-L204 PolarHBondContact N-O 2.86Å
199P93.8Very high93.1Very high106 Ų10643.9 Ų43.969%0.68825%0.25SS*.SBendtrans-65.1-24.1-175.124.9-35.6000113.9S143S143-P199 WeakPolarHBondContact CB-O 3.16Å
200I93.4Very high93.1Very high136 Ų13644.3 Ų44.370%0.69725%0.248SC*.SBendtrans-110.2-32.9-177.4-59.2170.4000111.8H198 P202H198-I200 PolarHBondContact ND1-N 2.72Å; H198-I200 PolarHBondContact O-N 2.86Å; I200-P202 WeakPolarHBondContact O-CD 3.29Å
201V92Very high93Very high57 Ų5746.8 Ų46.835%0.34526%0.264SS..  trans-108.1103.5-168179.90000108.2H198 S203 L204H198-V201 HydrophobicContact CB-CB 4.14Å; H198-V201 PolarHBondContact ND1-N 3.25Å; V201-S203 WeakPolarHBondContact CG1-OG 3.42Å; V201-S203 PolarHBondContact O-N 3.31Å; V201-S203 VanDerWaalsContact O-N 3.16Å; V201-L204 HydrophobicContact CB-CB 4.09Å; V201-L204 HydrophobicContact CG1-CB 3.87Å; V201-L204 PolarHBondContact O-N 3.25Å
202P89.7Confident92.7Very high31 Ų3149.9 Ų49.920%0.20130%0.295CS..THydrogen-bonded Turntrans-68.6-18.2-169.725.7-34.4000113.9N142 S143 N144 I200N142-P202 HydrophobicContact CB-CB 4.44Å; S143-P202 WeakPolarHBondContact OG-CA 3.38Å; S143-P202 WeakPolarHBondContact OG-CB 3.28Å; N144-P202 HydrophobicContact CB-CB 4.47Å; I200-P202 WeakPolarHBondContact O-CD 3.29Å
203S89Confident92.5Very high25 Ų2555.1 Ų55.118%0.17532%0.318CS..THydrogen-bonded Turntrans-86.6-16.117948.60000114.1V201 S219V201-S203 WeakPolarHBondContact CG1-OG 3.42Å; V201-S203 PolarHBondContact O-N 3.31Å; V201-S203 VanDerWaalsContact O-N 3.16Å; S203-S219 WeakPolarHBondContact CA-OG 3.44Å; S203-S219 WeakPolarHBondContact CB-O 3.27Å; S203-S219 PolarHBondContact O-N 2.98Å; S203-S219 PolarHBondContact O-OG 3.2Å
204L92Very high92.2Very high38 Ų3861.8 Ų61.820%0.19934%0.34CS..EExtended strand (participates in β ladder)trans-93.4121.7-172.4-170.871.5000110.8F197 H198 V201 L216 I218F197-L204 WeakPolarHBondContact CA-O 3.29Å; F197-L204 WeakPolarHBondContact CD1-O 3.26Å; H198-L204 HydrophobicContact CB-CB 3.79Å; H198-L204 HydrophobicContact CB-CD2 3.87Å; H198-L204 HydrophobicContact CB-CG 4.17Å; H198-L204 PolarHBondContact N-O 2.86Å; V201-L204 HydrophobicContact CB-CB 4.09Å; V201-L204 HydrophobicContact CG1-CB 3.87Å; V201-L204 PolarHBondContact O-N 3.25Å; L204-L216 HydrophobicContact CD1-CD1 3.85Å; L204-L216 HydrophobicContact CD1-CD2 4.03Å; L204-L216 HydrophobicContact CD1-CG 3.87Å; L204-L216 HydrophobicContact CD2-CD1 4.47Å; L204-L216 HydrophobicContact CG-CD1 4.23Å; L204-I218 HydrophobicContact CD1-CD1 4.42Å; L204-I218 HydrophobicContact CD1-CG1 3.59Å
205L93.9Very high91.8Very high10 Ų1062.8 Ų62.85%0.05234%0.335CS..EExtended strand (participates in β ladder)trans-128.1131.9-177.3-173.461.4000109.8A149 L169 I195 F197 E217A149-L205 HydrophobicContact CB-CD1 3.89Å; A149-L205 HydrophobicContact CB-CD2 4.1Å; L169-L205 HydrophobicContact CD1-CD2 3.78Å; L169-L205 HydrophobicContact CD2-CD2 4.19Å; L169-L205 HydrophobicContact CG-CD2 4.27Å; I195-L205 HydrophobicContact CD1-CD1 4.1Å; I195-L205 HydrophobicContact CD1-CD2 3.96Å; I195-L205 HydrophobicContact CD1-CG 4.17Å; I195-L205 HydrophobicContact CG1-CD1 3.6Å; I195-L205 HydrophobicContact CG1-CD2 4.35Å; I195-L205 HydrophobicContact CG1-CG 4.02Å; F197-L205 HydrophobicContact CB-CD1 4.48Å; F197-L205 HydrophobicContact CD1-CB 4.18Å; F197-L205 HydrophobicContact CD1-CD1 3.78Å; F197-L205 HydrophobicContact CD2-CD1 3.8Å; F197-L205 HydrophobicContact CE1-CB 4.09Å; F197-L205 HydrophobicContact CE1-CD1 3.86Å; F197-L205 HydrophobicContact CE1-CD2 4.39Å; F197-L205 HydrophobicContact CE1-CG 4.36Å; F197-L205 HydrophobicContact CE2-CD1 3.94Å; F197-L205 HydrophobicContact CG-CD1 3.74Å; F197-L205 HydrophobicContact CZ-CD1 3.95Å; F197-L205 HydrophobicContact CZ-CD2 4.33Å; L205-E217 PolarHBondContact N-O 3.15Å; L205-E217 PolarHBondContact O-N 3.27Å
206A94Very high91.3Very high41 Ų4167.3 Ų67.334%0.33936%0.358SS..EExtended strand (participates in β ladder)trans-116.4134.5174.500000110I195 K196 Y215I195-A206 CarbonylContact C-O 3.56Å; I195-A206 WeakPolarHBondContact CA-O 3.34Å; K196-A206 PolarHBondContact N-O 2.89Å; K196-A206 PolarHBondContact O-N 3.24Å; A206-Y215 CarbonylContact C-O 3.52Å; A206-Y215 WeakPolarHBondContact CA-O 3.29Å
207G94.8Very high90.5Very high8 Ų863.9 Ų63.98%0.08235%0.345CS..EExtended strand (participates in β ladder)trans-129.2135.3176.800000111.6C194 W214 Y215C194-G207 CarbonylContact O-C 3.53Å; C194-G207 VanDerWaalsContact O-CA 3.25Å; C194-G207 WeakPolarHBondContact O-CA 3.39Å; G207-W214 CarbonylContact O-C 3.52Å; G207-W214 VanDerWaalsContact O-CA 3.24Å; G207-W214 WeakPolarHBondContact O-CA 3.2Å; G207-Y215 PolarHBondContact N-O 3.35Å; G207-Y215 PolarHBondContact O-N 3.29Å
208G94.2Very high89.3Confident15 Ų1568 Ų6816%0.15537%0.367CS..EExtended strand (participates in β ladder)trans-105.2135.6176.900000111.3L192 M193 C194L192-G208 WeakPolarHBondContact CD1-O 3.4Å; M193-G208 PolarHBondContact N-O 2.63Å; C194-G208 PolarHBondContact N-O 3.43Å; C194-G208 PolarHBondContact O-N 2.96Å
209T93.2Very high87.8Confident10 Ų1065.1 Ų65.16%0.06135%0.354CS..EExtended strand (participates in β ladder)trans-99.2165.4178.658.50000113.2T190 C191 L192 T211 G212 K213 Y215T190-T209 WeakPolarHBondContact OG1-CB 3.4Å; T190-T209 WeakPolarHBondContact OG1-CG2 3.39Å; C191-T209 CarbonylContact O-C 3.54Å; C191-T209 VanDerWaalsContact O-CA 3.29Å; C191-T209 WeakPolarHBondContact O-CA 3.34Å; L192-T209 HydrophobicContact CD1-CG2 3.93Å; T209-T211 PolarHBondContact O-N 2.08Å; T209-T211 PolarHBondContact OG1-OG1 3.32Å; T209-G212 PolarHBondContact O-N 3.26Å; T209-K213 PolarHBondContact N-O 2.86Å; T209-K213 WeakPolarHBondContact OG1-CB 3.34Å; T209-K213 PolarHBondContact OG1-N 3.11Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T209-Y215 HydrophobicContact CG2-CD2 3.76Å; T209-Y215 HydrophobicContact CG2-CE2 3.43Å; T209-Y215 VanDerWaalsContact CG2-CE2 3.43Å
210F90.6Very high85.5Confident92 Ų9264.9 Ų64.940%0.40435%0.354SS..THydrogen-bonded Turntrans-56.2-33.7175.7-176.3-98.9000113.3H157 C161 C191 M193 G212H157-F210 HydrophobicContact CB-CE2 4.37Å; H157-F210 HydrophobicContact CB-CZ 4.03Å; H157-F210 AromaticContact CD2-CD2 3.53Å; H157-F210 AromaticContact CD2-CE2 3.44Å; H157-F210 VanDerWaalsContact CD2-CE2 3.44Å; H157-F210 WeakPolarHBondContact CD2-CE2 3.4Å; H157-F210 AromaticContact CD2-CZ 3.83Å; C161-F210 HydrophobicContact CB-CB 4.24Å; C161-F210 HydrophobicContact CB-CD1 3.65Å; C161-F210 HydrophobicContact CB-CE1 4.3Å; C161-F210 HydrophobicContact CB-CG 4.09Å; C191-F210 HydrophobicContact CB-CB 4.11Å; C191-F210 PolarHBondContact O-N 2.78Å; M193-F210 HydrophobicContact CE-CB 4.49Å; M193-F210 HydrophobicContact CG-CB 4.11Å; M193-F210 HydrophobicContact CG-CD2 4.49Å; M193-F210 HydrophobicContact SD-CD2 4.48Å; F210-G212 PolarHBondContact O-N 3.07Å
211T89.4Confident83.4Confident64 Ų6464 Ų6439%0.39334%0.342SS..THydrogen-bonded Turntrans-80.13.5179.256.60000113.9T190 T209 K213T190-T211 HydrophobicContact CG2-CG2 3.72Å; T209-T211 PolarHBondContact O-N 2.08Å; T209-T211 PolarHBondContact OG1-OG1 3.32Å; T211-K213 VanDerWaalsContact C-N 3.27Å; T211-K213 PolarHBondContact O-N 3.08Å
212G87.9Confident80.7Confident64 Ų6473.3 Ų73.366%0.6638%0.381SS*.SBendtrans794.8-176.600000114.6T209 F210T209-G212 PolarHBondContact O-N 3.26Å; F210-G212 PolarHBondContact O-N 3.07Å
213K89.5Confident80.3Confident116 Ų11675.4 Ų75.450%0.50439%0.39SS..  trans-76.8144.1169-65.5180-176.81720109D189 T209 T211D189-K213 IonicContact OD2-NZ 2.65Å; T209-K213 PolarHBondContact N-O 2.86Å; T209-K213 WeakPolarHBondContact OG1-CB 3.34Å; T209-K213 PolarHBondContact OG1-N 3.11Å; T209-K213 PolarHBondContact OG1-O 3.05Å; T211-K213 VanDerWaalsContact C-N 3.27Å; T211-K213 PolarHBondContact O-N 3.08Å
214W86.7Confident79.8Confident191 Ų19178.1 Ų78.172%0.72340%0.401SS*.EExtended strand (participates in β ladder)trans-116.1144.4172.853.4-87.5000109.8G207 L216G207-W214 CarbonylContact O-C 3.52Å; G207-W214 VanDerWaalsContact O-CA 3.24Å; G207-W214 WeakPolarHBondContact O-CA 3.2Å; W214-L216 HydrophobicContact CE3-CB 4.25Å; W214-L216 HydrophobicContact CZ3-CB 3.93Å
215Y84.8Confident79.1Confident89 Ų8980.3 Ų80.335%0.34941%0.412SS..EExtended strand (participates in β ladder)trans-111.8130.2174.8-66.2-77.3000108T188 D189 A206 G207 T209T188-Y215 HydrophobicContact CG2-CD2 3.64Å; T188-Y215 HydrophobicContact CG2-CE2 3.55Å; T188-Y215 HydrophobicContact CG2-CG 4.32Å; D189-Y215 PolarHBondContact OD1-OH 3.26Å; A206-Y215 CarbonylContact C-O 3.52Å; A206-Y215 WeakPolarHBondContact CA-O 3.29Å; G207-Y215 PolarHBondContact N-O 3.35Å; G207-Y215 PolarHBondContact O-N 3.29Å; T209-Y215 HydrophobicContact CG2-CD2 3.76Å; T209-Y215 HydrophobicContact CG2-CE2 3.43Å; T209-Y215 VanDerWaalsContact CG2-CE2 3.43Å
216L84.8Confident78.2Confident98 Ų9884.4 Ų84.451%0.51343%0.434SS..EExtended strand (participates in β ladder)trans-109.9128.1172.1-174.294.9000107.6L204 W214L204-L216 HydrophobicContact CD1-CD1 3.85Å; L204-L216 HydrophobicContact CD1-CD2 4.03Å; L204-L216 HydrophobicContact CD1-CG 3.87Å; L204-L216 HydrophobicContact CD2-CD1 4.47Å; L204-L216 HydrophobicContact CG-CD1 4.23Å; W214-L216 HydrophobicContact CE3-CB 4.25Å; W214-L216 HydrophobicContact CZ3-CB 3.93Å
217E78.5Confident77.3Confident63 Ų6387.1 Ų87.129%0.29444%0.439SS..EExtended strand (participates in β ladder)trans-128.3136.7176.6-171.8159.9-177.400112.3Y186 L205Y186-E217 WeakPolarHBondContact CD1-OE2 3.37Å; Y186-E217 WeakPolarHBondContact CD2-OE2 3.42Å; Y186-E217 WeakPolarHBondContact CE1-OE1 3.32Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.34Å; Y186-E217 VanDerWaalsContact CE2-OE2 3.26Å; Y186-E217 WeakPolarHBondContact CE2-OE2 3.48Å; Y186-E217 PolarHBondContact OH-OE1 3.35Å; Y186-E217 PolarHBondContact OH-OE2 3.42Å; L205-E217 PolarHBondContact N-O 3.15Å; L205-E217 PolarHBondContact O-N 3.27Å
218I70.5Confident76.1Confident105 Ų10592.4 Ų92.454%0.53846%0.463SS..EExtended strand (participates in β ladder)trans-108.3102.1173.5-58.3170.8000106.3L204 C220L204-I218 HydrophobicContact CD1-CD1 4.42Å; L204-I218 HydrophobicContact CD1-CG1 3.59Å; I218-C220 PolarHBondContact O-N 3.08Å; I218-C220 VanDerWaalsContact O-N 3.09Å
219S61.1Low74.8Confident9 Ų997.9 Ų97.96%0.06349%0.485CS..  trans-72.3101171.352.10000109.2S203 W221S203-S219 WeakPolarHBondContact CA-OG 3.44Å; S203-S219 WeakPolarHBondContact CB-O 3.27Å; S203-S219 PolarHBondContact O-N 2.98Å; S203-S219 PolarHBondContact O-OG 3.2Å; S219-W221 PolarHBondContact O-N 3.1Å; S219-W221 VanDerWaalsContact O-N 3.12Å
220C46.2Very low73.4Confident101 Ų101104.7 Ų104.768%0.68252%0.518SS*.  trans-67.9107.2168.9-67.60000107.9I218 H222I218-C220 PolarHBondContact O-N 3.08Å; I218-C220 VanDerWaalsContact O-N 3.09Å; C220-H222 PolarHBondContact O-N 3.48Å
221W48.9Very low72Confident118 Ų118105.8 Ų105.845%0.44753%0.527SS..  trans-65.9115.4165.9-64.180.6000107.1L147 S219L147-W221 HydrophobicContact CD1-CH2 3.56Å; L147-W221 HydrophobicContact CD1-CZ2 3.25Å; L147-W221 HydrophobicContact CD2-CH2 3.92Å; L147-W221 HydrophobicContact CD2-CZ2 4.46Å; L147-W221 HydrophobicContact CG-CH2 3.74Å; L147-W221 HydrophobicContact CG-CZ2 3.82Å; S219-W221 PolarHBondContact O-N 3.1Å; S219-W221 VanDerWaalsContact O-N 3.12Å
222H35.3Very low70.4Confident251 Ų251109.5 Ų109.5100%1.16254%0.54SS*.  trans-110.50159.4-77.911.1000107.7C220C220-H222 PolarHBondContact O-N 3.48Å

Retrieved 222 of 222 residues in 35.8 ms (Link to these results)