A0A060YGD4_ONCMY Loading...

Heterogeneous nuclear ribonucleoprotein A/B

AlphaFold DB , UniProt , Accession A0A060YGD4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 348 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.5Very low45Very low237 Ų237165.4 Ų165.4100%1.16784%0.84SS**  0760-63.4173.5178.800104.5
2S43.2Very low44.8Very low96 Ų96159.3 Ų159.367%0.67182%0.823SS**  70.9132.287.663.50000111.9
3D41.8Very low44.8Very low152 Ų152158.9 Ų158.981%0.81382%0.816SS**  trans115.6133160.6-56.8-26.5000112.4
4T46.3Very low44.6Very low110 Ų110157.8 Ų157.868%0.67581%0.812SS**  cis-172.6117-11.4-83.80000102.2
5E49.2Very low44Very low203 Ų203152.3 Ų152.395%0.94981%0.809SS**  trans-119.4108.7170.2-88.3-174.9126.400108.7
6Q48.9Very low44Very low168 Ų168152.8 Ų152.879%0.78581%0.805SS**  trans-127.5147.7164.7-83-174.6-4.900108.5
7Q45.4Very low43.9Very low170 Ų170153.8 Ų153.879%0.79481%0.805SS**  trans99.9149.3158.7-73.9175.5-11.900119.4
8F40.6Very low43.7Very low193 Ų193149.5 Ų149.585%0.84680%0.804SS**  trans97.6119.4-175.8-68-73000113.3
9M45.1Very low44Very low160 Ų160150.4 Ų150.479%0.78880%0.802SS**  cis-154.8144.316.2-91.9170.8-164.600110.8
10E49.6Very low44.3Very low190 Ų190152 Ų15289%0.88881%0.805SS**  trans-74.1142.3147.6-82.5171111.400109.3
11T47.1Very low44.3Very low140 Ų140150.9 Ų150.986%0.85980%0.799SS**  trans-161.5150.8137.125.80000110.2
12S43.6Very low44.7Very low92 Ų92147.5 Ų147.564%0.64378%0.778SS**  trans-90.7166.7-163.146.20000114.7
13E43.8Very low44.5Very low155 Ų155149 Ų14972%0.72478%0.779SS**  trans83.2125.6138.4-90.2177.3103.800123.1
14N42.8Very low44.4Very low143 Ų143145.1 Ų145.177%0.76577%0.774SS**  trans81.6115.6136.8-64.5-18.9000120.6
15G35.4Very low44Very low75 Ų75144.7 Ų144.777%0.77378%0.782SS**  137.213610400000116.6
16H43.3Very low44Very low161 Ų161143.7 Ų143.775%0.74578%0.778SS**  trans92.490.8154.4-135.456.9000116.2
17E42.6Very low44.3Very low170 Ų170140.9 Ų140.979%0.79477%0.774SS**  75.7124.376.6-70.1172-15100113.4
18G41Very low44Very low76 Ų76137.1 Ų137.178%0.78477%0.772SS**  trans173.155.5-179.900000109.8
19E48.5Very low43.8Very low166 Ų166134.3 Ų134.378%0.77677%0.766SS**  trans-53.2144.5150.6-62.9173.1165.700107.1
20E50Low43.5Very low183 Ų183134 Ų13486%0.85576%0.762SS**  -154.6120.675.9-72.4162.2-158.800107.1
21D45.5Very low42.7Very low128 Ų128130.4 Ų130.468%0.68475%0.753SS**  56107.181.4-82.8-15.6000113.4
22F44.4Very low42.1Very low166 Ų166132.9 Ų132.973%0.72876%0.755SS**  176.7126.594.4-128.8-139.3000111.8
23N39.8Very low41.9Very low129 Ų129132.7 Ų132.769%0.6976%0.759SS**  trans60.8132.2132.9-66.4-2.1000120.8
24G39.1Very low42.5Very low69 Ų69131 Ų13171%0.71176%0.761SS**  cis158.6155.43.800000111.5
25A39.2Very low42.3Very low102 Ų102129.8 Ų129.884%0.84376%0.755SS**  trans7480.8150.200000118.3
26E48.5Very low42.2Very low182 Ų182134.4 Ų134.485%0.8576%0.756SS**  -46.6163.6114.4-83.8-165.7146.700111.2
27P54Low41.7Very low109 Ų109129.9 Ų129.971%0.70875%0.754SS**  cis-155.7-17840.541.3-17.6000116.2
28A40.6Very low41.3Very low91 Ų91130.5 Ų130.575%0.75276%0.756SS**  42.3146.5129.600000118.8
29D36.3Very low41.2Very low134 Ų134131.1 Ų131.172%0.71775%0.754SS**  cis173.5175.63.917522.7000102.3
30E37.5Very low40.5Very low154 Ų154130.8 Ų130.872%0.7275%0.753SS**  trans75.8138.5162.9-53.2-168.8171.300114.2
31T33.9Very low39.8Very low113 Ų113127.6 Ų127.669%0.69375%0.746SS**  cis-176.9164.411.918.60000108.1
32E35.2Very low39.4Very low193 Ų193130.1 Ų130.190%0.90275%0.754SS**  trans77.7147.1149.9-54.4-119.2145.400121.4
33A37.6Very low38.9Very low88 Ų88125.4 Ų125.473%0.72775%0.745SS**  trans-98.2-143.1-162.400000112.8
34P57.7Low38.4Very low118 Ų118125 Ų12577%0.76675%0.751SS**  -110.6-157.5-85.733.7-15.8000112.4
35N38.5Very low38.3Very low118 Ų118127.2 Ų127.263%0.63175%0.75SS**  trans96112.1170.4-88.527000118.1
36E33.3Very low38.1Very low172 Ų172130.2 Ų130.280%0.80475%0.747SS**  87.2136.567.8-76.7177.2-162.500112.4
37G32.4Very low37.4Very low67 Ų67127.7 Ų127.769%0.69174%0.739SS**  trans108.792167.100000113.4
38E35.3Very low36.7Very low182 Ų182130 Ų13085%0.8574%0.738SS**  64.1113.581.6-64.2-173.7176.400113.7
39A37.1Very low36.1Very low90 Ų90131.9 Ų131.974%0.74474%0.741SS**  trans17185.2135.400000109.2
40E34.9Very low36Very low159 Ų159129.7 Ų129.774%0.74374%0.741SS**  37.4122.5101.133.5-177.8131.900116.2
41T34.2Very low35.8Very low115 Ų115130 Ų13071%0.70675%0.747SS**  153.2115.2119.148.20000109.4
42E38.9Very low35.7Very low182 Ų182133.4 Ų133.485%0.8576%0.755SS**  78.7139.4105.3-61.9-102.7152.500111.4
43A33.8Very low35.4Very low66 Ų66127.3 Ų127.355%0.54574%0.744SS.*  cis-179.2146.6-4.600000104.4
44C28Very low34.9Very low120 Ų120133 Ų13381%0.81176%0.755SS**  trans47.8144.3135.3-43.80000119.4
45V37.5Very low33.5Very low116 Ų116130.8 Ų130.870%0.70375%0.754SS**  cis-168143.238.4177.10000107.3
46E34.7Very low33Very low165 Ų165135.7 Ų135.777%0.77177%0.769SS**  trans0.9144.6141.3-40.5173.6130.600119.2
47D33.2Very low32.7Very low130 Ų130130.7 Ų130.770%0.69576%0.764SS**  -176.3160.393.8-164.130.7000112.6
48K39.3Very low32.4Very low158 Ų158137.4 Ų137.469%0.68778%0.778SS**  trans-71.2169.2-164.1-60.4153.2-171.4153.20115.5
49T29.1Very low32Very low130 Ų130132.2 Ų132.280%0.79877%0.773SS**  156114.8119.7440000107.9
50A33.6Very low31.5Very low88 Ų88137.1 Ų137.173%0.72778%0.781SS**  81.6137.769.300000114.5
51L34.5Very low31.1Very low159 Ų159136.7 Ų136.783%0.83278%0.783SS**  trans115.2142.1172.2-68.9155.7000113.7
52E30.9Very low31.1Very low186 Ų186135.9 Ų135.987%0.86978%0.782SS**  cis174.8156.7-36.4-108.1-174167.900106
53G28Very low30.6Very low65 Ų65136.2 Ų136.267%0.6778%0.784SS**  trans132.388.5167.700000114.8
54E28.6Very low30.4Very low207 Ų207141 Ų14197%0.96780%0.801SS**  64.3130.592.7-62.9-169.1127.700115
55G27.3Very low30.3Very low71 Ų71139 Ų13973%0.73280%0.8SS**  cis175.5-176.64.100000112.6
56K29.2Very low30Very low221 Ų221137.9 Ų137.996%0.96180%0.803SS**  trans80.8136.5171.2-57.4-179.2176.3-178.20117.8
57G26Very low29.7Very low68 Ų68135.8 Ų135.870%0.70181%0.806SS**  cis165.3150.60.200000110.2
58E27.2Very low30.2Very low207 Ų207138.7 Ų138.797%0.96782%0.816SS**  trans71143.4162.6-54174.7-174.700117.2
59G26.1Very low30Very low73 Ų73134.2 Ų134.275%0.75381%0.814SS**  cis148.9115.511.800000108.4
60E27.1Very low30.4Very low194 Ų194137.5 Ų137.591%0.90782%0.821SS**  trans29.1137.3157.5-62.1178.1152.900124.4
61D25.4Very low30.9Very low149 Ų149136.8 Ų136.880%0.79782%0.821SS**  122.6142.8124.8-129.2-18.2000119.5
62S34Very low31.3Very low98 Ų98131.4 Ų131.469%0.68581%0.805SS**  trans-78.4153.8-169.7-53.80000113.6
63Q29.2Very low32.5Very low190 Ų190130.4 Ų130.489%0.88880%0.8SS**  trans-179.2103.1131.8-100.9168.72.300107.4
64N29Very low33.9Very low167 Ų167128.6 Ų128.689%0.89378%0.775SS**  54.9106.678.3-130.38.6000113.8
65G26.8Very low35Very low78 Ų78124.9 Ų124.980%0.80476%0.762SS**  trans-147.7105.3170.500000109.1
66A31.6Very low36.1Very low92 Ų92123.3 Ų123.376%0.7674%0.742SS**  trans-67.3148.6-165.500000115.3
67S28.7Very low36.9Very low120 Ų120117.2 Ų117.284%0.83973%0.727SS**  trans-144.592.4142.51790000108.2
68E42.4Very low37.9Very low192 Ų192121.8 Ų121.890%0.89773%0.728SS**  trans-65.1126.3165.5-65.3179.1135.300109.2
69G35.4Very low38.9Very low63 Ų63115.3 Ų115.365%0.64972%0.716SS**  trans166.2126.517300000111.7
70E38Very low40.1Very low200 Ų200120 Ų12094%0.93572%0.718SS**SBendtrans81.3127165.7-70.4-17988.700118.4G72E70-G72 VanDerWaalsContact C-N 3.34Å; E70-G72 PolarHBondContact O-N 2.92Å
71G44.2Very low41.3Very low72 Ų72114.7 Ų114.774%0.74269%0.694SS**  trans-60.991.9176.600000111.4Q73G71-Q73 PolarHBondContact O-N 2.78Å; G71-Q73 VanDerWaalsContact O-N 3.08Å
72G42.7Very low43Very low47 Ų47109.5 Ų109.549%0.48567%0.666SS.*  trans-43.7115.3175.600000110.7E70 I74E70-G72 VanDerWaalsContact C-N 3.34Å; E70-G72 PolarHBondContact O-N 2.92Å; G72-I74 PolarHBondContact O-N 3.47Å
73Q55.2Low44.5Very low165 Ų165107.5 Ų107.577%0.77166%0.656SS**  trans-60.9119.5162.1-65.3174.4-59.200105.9G71 N75G71-Q73 PolarHBondContact O-N 2.78Å; G71-Q73 VanDerWaalsContact O-N 3.08Å; Q73-N75 PolarHBondContact O-N 3.46Å
74I58.5Low46.8Very low26 Ų2698.7 Ų98.713%0.13362%0.616CS.*  trans-53.5110.6163.335.6172.4000107.4G72 A76 K85 D112 F129G72-I74 PolarHBondContact O-N 3.47Å; I74-A76 PolarHBondContact O-N 2.81Å; I74-K85 HydrophobicContact CD1-CD 3.74Å; I74-K85 HydrophobicContact CD1-CG 4.21Å; I74-D112 HydrophobicContact CG2-CB 3.91Å; I74-D112 WeakPolarHBondContact CG2-OD2 3.34Å; I74-F129 HydrophobicContact CD1-CB 4.13Å
75N51.5Low49.6Very low130 Ų13092.3 Ų92.370%0.69558%0.58SS**  trans-69.979.8177.7-76.7-34.5000108.5Q73 S77Q73-N75 PolarHBondContact O-N 3.46Å; N75-S77 VanDerWaalsContact C-N 3.31Å; N75-S77 PolarHBondContact O-N 3.06Å
76A51.1Low52.6Low38 Ų3888.6 Ų88.631%0.31454%0.541SS..  trans-86.279.6165.800000107.1I74 E81I74-A76 PolarHBondContact O-N 2.81Å; A76-E81 WeakPolarHBondContact CA-OE2 3.38Å
77S45.9Very low55.4Low93 Ų9387.1 Ų87.165%0.6552%0.518SS*.  trans-112.655.1-18043.60000110.7N75 E81N75-S77 VanDerWaalsContact C-N 3.31Å; N75-S77 PolarHBondContact O-N 3.06Å; S77-E81 PolarHBondContact N-OE2 3.37Å
78K47Very low58.4Low164 Ų16481.4 Ų81.471%0.71348%0.478SS*.SBendtrans-177.3140.7150.8-106.4161.6178.8-179.90108.6E80 E81K78-E80 PolarHBondContact O-N 2.97Å; K78-E81 PolarHBondContact O-N 3.42Å
79G46.6Very low60.7Low71 Ų7172.7 Ų72.773%0.73244%0.44SS*.THydrogen-bonded Turntrans-59.94-171.600000117.6
80E51.7Low63.3Low170 Ų17071 Ų7179%0.79442%0.422SS*.THydrogen-bonded Turntrans-92.2-24.6169.7-82.6174.8123.800113.1K78 D82 A83K78-E80 PolarHBondContact O-N 2.97Å; E80-D82 PolarHBondContact O-N 3.22Å; E80-A83 PolarHBondContact O-N 3.41Å
81E53.3Low65.9Low83 Ų8361.4 Ų61.439%0.38838%0.378SS..THydrogen-bonded Turntrans-78.1-10.5-179.1-62.1178.6165.200112.8A76 S77 K78 A83 G84 L131A76-E81 WeakPolarHBondContact CA-OE2 3.38Å; S77-E81 PolarHBondContact N-OE2 3.37Å; K78-E81 PolarHBondContact O-N 3.42Å; E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 3.19Å; E81-G84 PolarHBondContact O-N 2.8Å; E81-L131 WeakPolarHBondContact O-CD1 3.34Å
82D60.2Low68.1Low41 Ų4159.1 Ų59.122%0.21935%0.35CS..THydrogen-bonded Turntrans-66.8-29.3171.1-78.3-31000111.6E80 G84 K85 A161E80-D82 PolarHBondContact O-N 3.22Å; D82-G84 VanDerWaalsContact C-N 3.32Å; D82-G84 PolarHBondContact O-N 3.29Å; D82-K85 PolarHBondContact O-N 2.6Å; D82-A161 WeakPolarHBondContact OD1-CB 3.19Å
83A66.5Low70.3Confident56 Ų5662.9 Ų62.946%0.46335%0.35SS..THydrogen-bonded Turntrans-69.4-30.4-179.800000112.7E80 E81 K85 A135 V138E80-A83 PolarHBondContact O-N 3.41Å; E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 3.19Å; A83-K85 VanDerWaalsContact C-N 3.33Å; A83-A135 HydrophobicContact CB-CB 3.99Å; A83-V138 WeakPolarHBondContact O-CG2 3.26Å
84G77.3Confident71.9Confident5 Ų561.7 Ų61.75%0.05235%0.349CS..THydrogen-bonded Turntrans-81.8-9.4175.600000113.7E81 D82 F132E81-G84 PolarHBondContact O-N 2.8Å; D82-G84 VanDerWaalsContact C-N 3.32Å; D82-G84 PolarHBondContact O-N 3.29Å; G84-F132 PolarHBondContact O-N 2.84Å
85K87.6Confident73.3Confident32 Ų3260.8 Ų60.814%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-89.9129.1-173.2-167.3179.1166.2163.10112I74 D82 A83 I130 L131 A159I74-K85 HydrophobicContact CD1-CD 3.74Å; I74-K85 HydrophobicContact CD1-CG 4.21Å; D82-K85 PolarHBondContact O-N 2.6Å; A83-K85 VanDerWaalsContact C-N 3.33Å; K85-I130 CarbonylContact C-O 3.59Å; K85-I130 WeakPolarHBondContact CA-O 3.49Å; K85-L131 HydrophobicContact CB-CD1 4.04Å; K85-A159 HydrophobicContact CB-CB 4.01Å; K85-A159 HydrophobicContact CD-CB 4.06Å; K85-A159 HydrophobicContact CG-CB 3.61Å; K85-A159 WeakPolarHBondContact O-CB 3.5Å; K85-A159 PolarHBondContact O-N 2.85Å
86M88.9Confident75.2Confident0 Ų056.8 Ų56.80%033%0.326CS..EExtended strand (participates in β ladder)trans-122.9138.5-179.4-77.4-71.2-86.100111.4F129 I130 F132 V138 V141 L142 P156 K158M86-F129 CarbonylContact O-C 3.6Å; M86-F129 VanDerWaalsContact O-CA 3.24Å; M86-F129 WeakPolarHBondContact O-CA 3.24Å; M86-I130 PolarHBondContact N-O 3.46Å; M86-I130 PolarHBondContact O-N 2.78Å; M86-F132 HydrophobicContact CG-CD2 4.32Å; M86-F132 HydrophobicContact CG-CE2 4.24Å; M86-V138 HydrophobicContact CE-CG1 4.12Å; M86-V138 HydrophobicContact CG-CB 4.05Å; M86-V138 HydrophobicContact CG-CG1 3.77Å; M86-V138 HydrophobicContact CG-CG2 3.47Å; M86-V138 VanDerWaalsContact CG-CG2 3.47Å; M86-V138 HydrophobicContact SD-CB 4.23Å; M86-V138 HydrophobicContact SD-CG1 3.32Å; M86-V138 WeakPolarHBondContact SD-CG1 3.47Å; M86-V138 HydrophobicContact SD-CG2 4.24Å; M86-V141 HydrophobicContact CE-CB 4.2Å; M86-V141 HydrophobicContact CE-CG1 3.7Å; M86-L142 HydrophobicContact CE-CD1 4.43Å; M86-L142 HydrophobicContact CE-CD2 3.84Å; M86-L142 HydrophobicContact CE-CG 3.89Å; M86-P156 HydrophobicContact CE-CB 3.83Å; M86-K158 VanDerWaalsContact SD-CA 3.51Å; M86-K158 HydrophobicContact SD-CG 4.29Å
87F91.1Very high77.1Confident61 Ų6159.9 Ų59.927%0.26833%0.333SS..EExtended strand (participates in β ladder)trans-90.3134.3166.8168.8-93000108.2F127 F129 P156 K157 A159F87-F127 HydrophobicContact CD2-CD2 4.46Å; F87-F127 HydrophobicContact CE2-CB 3.88Å; F87-F127 AromaticContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CE2 4.44Å; F87-F127 AromaticContact CE2-CG 4Å; F87-F127 HydrophobicContact CE2-CG 4Å; F87-F127 HydrophobicContact CZ-CB 3.91Å; F87-F127 HydrophobicContact CZ-CD2 4.42Å; F87-F127 HydrophobicContact CZ-CG 4.35Å; F87-F129 HydrophobicContact CB-CD1 4.32Å; F87-F129 HydrophobicContact CB-CE1 4.16Å; F87-F129 HydrophobicContact CD2-CD1 4.4Å; F87-F129 AromaticContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CZ 4Å; F87-F129 HydrophobicContact CG-CE1 4.49Å; F87-P156 CarbonylContact O-C 3.58Å; F87-P156 VanDerWaalsContact O-CA 3.28Å; F87-P156 WeakPolarHBondContact O-CA 3.44Å; F87-K157 HydrophobicContact CD1-CB 4.37Å; F87-K157 PolarHBondContact N-O 3.49Å; F87-K157 PolarHBondContact O-N 3.38Å; F87-A159 HydrophobicContact CB-CB 4.42Å
88V91.1Very high79.2Confident0 Ų062.2 Ų62.20%033%0.331CS..EExtended strand (participates in β ladder)trans-123108.6176.4-1720000108.8L91 L100 F104 F127 G128 I130 I154 P156V88-L91 HydrophobicContact CG1-CD1 4.47Å; V88-L91 HydrophobicContact CG1-CD2 3.79Å; V88-L91 HydrophobicContact CG1-CG 4.14Å; V88-L100 HydrophobicContact CB-CD2 4.49Å; V88-L100 HydrophobicContact CG1-CD2 4.32Å; V88-F104 HydrophobicContact CB-CZ 4.46Å; V88-F104 HydrophobicContact CG1-CE2 4.03Å; V88-F104 HydrophobicContact CG1-CZ 3.86Å; V88-F104 HydrophobicContact CG2-CE1 4.4Å; V88-F104 HydrophobicContact CG2-CE2 3.98Å; V88-F104 HydrophobicContact CG2-CZ 3.68Å; V88-F127 CarbonylContact O-C 3.42Å; V88-F127 VanDerWaalsContact O-CA 3.22Å; V88-F127 WeakPolarHBondContact O-CA 3.29Å; V88-F127 WeakPolarHBondContact O-CB 3.4Å; V88-G128 PolarHBondContact N-O 3.24Å; V88-G128 PolarHBondContact O-N 3.39Å; V88-I130 HydrophobicContact CG2-CD1 3.66Å; V88-I130 HydrophobicContact CG2-CG1 3.94Å; V88-I154 HydrophobicContact CG1-CB 4.14Å; V88-I154 HydrophobicContact CG1-CD1 3.99Å; V88-I154 HydrophobicContact CG1-CG1 4.39Å; V88-P156 HydrophobicContact CG2-CB 4.45Å
89G91.6Very high81.3Confident9 Ų957.1 Ų57.19%0.09331%0.312CS..EExtended strand (participates in β ladder)trans-94.5162.9175.800000112.5L91 I154 D155G89-L91 PolarHBondContact O-N 3.08Å; G89-I154 CarbonylContact O-C 3.59Å; G89-I154 VanDerWaalsContact O-CA 3.31Å; G89-I154 WeakPolarHBondContact O-CA 3.44Å; G89-I154 WeakPolarHBondContact O-CB 3.31Å; G89-D155 PolarHBondContact N-O 2.88Å; G89-D155 PolarHBondContact O-N 2.82Å
90G90.4Very high83.4Confident27 Ų2753.8 Ų53.828%0.27828%0.277SS..SBendtrans7817.4172.300000114.8G126 R152G90-G126 PolarHBondContact N-O 3.44Å; G90-R152 WeakPolarHBondContact O-CD 3.29Å; G90-R152 VanDerWaalsContact O-CG 3.3Å; G90-R152 WeakPolarHBondContact O-CG 3.47Å; G90-R152 PolarHBondContact O-NE 3.01Å
91L91.3Very high85.2Confident0 Ų050.2 Ų50.20%026%0.259CS..  trans-64.4152.1176.7-62.3169.4000111.4V88 G89 T95 L100 G126 L149 R152 I154V88-L91 HydrophobicContact CG1-CD1 4.47Å; V88-L91 HydrophobicContact CG1-CD2 3.79Å; V88-L91 HydrophobicContact CG1-CG 4.14Å; G89-L91 PolarHBondContact O-N 3.08Å; L91-T95 HydrophobicContact CD2-CG2 4.17Å; L91-L100 HydrophobicContact CD1-CD1 3.82Å; L91-L100 HydrophobicContact CD1-CD2 4.11Å; L91-L100 HydrophobicContact CD1-CG 4.38Å; L91-L100 HydrophobicContact CD2-CD2 3.75Å; L91-L100 HydrophobicContact CD2-CG 4.21Å; L91-G126 PolarHBondContact N-O 3.16Å; L91-G126 WeakPolarHBondContact O-CA 3.14Å; L91-L149 HydrophobicContact CD2-CD2 4.1Å; L91-R152 PolarHBondContact O-NH1 2.95Å; L91-I154 HydrophobicContact CD2-CG2 3.84Å
92S90.9Very high87.1Confident23 Ų2350.4 Ų50.416%0.16126%0.263CS..  trans-66.2156.8169.9-165.50000110D94 T95S92-D94 PolarHBondContact O-N 3.4Å; S92-T95 VanDerWaalsContact CB-OG1 3.23Å; S92-T95 WeakPolarHBondContact CB-OG1 3.3Å; S92-T95 PolarHBondContact N-OG1 3.12Å; S92-T95 VanDerWaalsContact N-OG1 3.16Å; S92-T95 WeakPolarHBondContact O-CB 3.22Å; S92-T95 PolarHBondContact O-N 2.88Å; S92-T95 PolarHBondContact O-OG1 3.22Å
93W89.5Confident88.5Confident126 Ų12650.4 Ų50.448%0.47726%0.26SS..THydrogen-bonded Turntrans-68.5-25.4176.6-63.6-41.8000112.4R123 S124W93-R123 VanDerWaalsContact CD2-NH2 3.3Å; W93-S124 VanDerWaalsContact O-CB 3.26Å; W93-S124 WeakPolarHBondContact O-CB 3.41Å
94D88.3Confident89.7Confident141 Ų14147.7 Ų47.775%0.75424%0.238SC*.THydrogen-bonded Turntrans-95.7-3.2-178.5-51.4-51.1000112.5S92 S96S92-D94 PolarHBondContact O-N 3.4Å; D94-S96 PolarHBondContact O-N 3.45Å
95T88.2Confident90.3Very high6 Ų650.1 Ų50.14%0.03725%0.254CS..  trans-62.1127.6176.9-63.10000110.1L91 S92 D99 L100 I115 L149 D150L91-T95 HydrophobicContact CD2-CG2 4.17Å; S92-T95 VanDerWaalsContact CB-OG1 3.23Å; S92-T95 WeakPolarHBondContact CB-OG1 3.3Å; S92-T95 PolarHBondContact N-OG1 3.12Å; S92-T95 VanDerWaalsContact N-OG1 3.16Å; S92-T95 WeakPolarHBondContact O-CB 3.22Å; S92-T95 PolarHBondContact O-N 2.88Å; S92-T95 PolarHBondContact O-OG1 3.22Å; T95-D99 HydrophobicContact CG2-CB 4.4Å; T95-L100 HydrophobicContact CG2-CD1 4.2Å; T95-L100 HydrophobicContact CG2-CG 4.03Å; T95-I115 HydrophobicContact CG2-CD1 4.47Å; T95-I115 WeakPolarHBondContact O-CD1 3.44Å; T95-L149 HydrophobicContact CG2-CD2 3.29Å; T95-D150 WeakPolarHBondContact CB-OD2 3.3Å; T95-D150 PolarHBondContact OG1-OD2 3.35Å
96S90.4Very high90.4Very high46 Ų4656.2 Ų56.232%0.32228%0.281SS..  trans-98.5166.2178.379.10000112.8D94 K98 D99 L100 I115D94-S96 PolarHBondContact O-N 3.45Å; S96-K98 PolarHBondContact O-N 2.89Å; S96-K98 PolarHBondContact OG-N 2.67Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 3.27Å; S96-D99 PolarHBondContact O-N 3.21Å; S96-D99 VanDerWaalsContact OG-CG 3.22Å; S96-D99 PolarHBondContact OG-N 3.21Å; S96-D99 PolarHBondContact OG-OD2 2.59Å; S96-L100 PolarHBondContact O-N 3.18Å; S96-I115 VanDerWaalsContact C-CD1 3.45Å
97K90.3Very high90.4Very high104 Ų10457.4 Ų57.445%0.45229%0.286SS..Hα-helixtrans-57.3-34.9174.9-177.1176.8171.5156.20111.2K101 D112 C113K97-K101 WeakPolarHBondContact O-CB 3.28Å; K97-K101 PolarHBondContact O-N 3.36Å; K97-D112 WeakPolarHBondContact CE-OD1 3.18Å; K97-D112 IonicContact NZ-OD1 2.78Å; K97-D112 PolarHBondContact NZ-OD1 3.47Å; K97-C113 WeakPolarHBondContact CD-O 3.44Å; K97-C113 WeakPolarHBondContact CE-O 3.35Å; K97-C113 WeakPolarHBondContact CE-SG 3.41Å; K97-C113 HydrophobicContact CG-CB 4.16Å; K97-C113 WeakPolarHBondContact CG-SG 3.46Å; K97-C113 PolarHBondContact NZ-O 3.5Å
98K91.1Very high90.2Very high142 Ų14255.4 Ų55.462%0.61728%0.283SS*.Hα-helixtrans-66.6-47.4178.9-174.1-179.6175.9-175.70111.2S96 L100 K101 D102S96-K98 PolarHBondContact O-N 2.89Å; S96-K98 PolarHBondContact OG-N 2.67Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.27Å; K98-K101 WeakPolarHBondContact O-CB 3.05Å; K98-K101 PolarHBondContact O-N 3.4Å; K98-D102 WeakPolarHBondContact O-CB 2.87Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 3.01Å
99D90.9Very high90.2Very high56 Ų5661 Ų6130%0.29931%0.309SS..Hα-helixtrans-62.8-40.4-178.8-50.5-46.8000111.6T95 S96 Y103T95-D99 HydrophobicContact CG2-CB 4.4Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 3.27Å; S96-D99 PolarHBondContact O-N 3.21Å; S96-D99 VanDerWaalsContact OG-CG 3.22Å; S96-D99 PolarHBondContact OG-N 3.21Å; S96-D99 PolarHBondContact OG-OD2 2.59Å; D99-Y103 VanDerWaalsContact O-CB 3.3Å; D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 3.3Å
100L90.1Very high90.1Very high1 Ų161 Ų611%0.00531%0.306CS..Hα-helixtrans-58.5-51.4170.5-90.1158.4000111.6V88 L91 T95 S96 K98 D102 Y103 F104 I115 I130V88-L100 HydrophobicContact CB-CD2 4.49Å; V88-L100 HydrophobicContact CG1-CD2 4.32Å; L91-L100 HydrophobicContact CD1-CD1 3.82Å; L91-L100 HydrophobicContact CD1-CD2 4.11Å; L91-L100 HydrophobicContact CD1-CG 4.38Å; L91-L100 HydrophobicContact CD2-CD2 3.75Å; L91-L100 HydrophobicContact CD2-CG 4.21Å; T95-L100 HydrophobicContact CG2-CD1 4.2Å; T95-L100 HydrophobicContact CG2-CG 4.03Å; S96-L100 PolarHBondContact O-N 3.18Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.27Å; L100-D102 PolarHBondContact O-N 2.97Å; L100-Y103 PolarHBondContact O-N 3.3Å; L100-F104 HydrophobicContact CD2-CD2 3.93Å; L100-F104 HydrophobicContact CD2-CE2 3.66Å; L100-F104 WeakPolarHBondContact O-CB 3.18Å; L100-F104 VanDerWaalsContact O-CD2 3.28Å; L100-F104 WeakPolarHBondContact O-CD2 3.24Å; L100-F104 PolarHBondContact O-N 2.93Å; L100-I115 HydrophobicContact CD1-CD1 3.59Å; L100-I115 HydrophobicContact CD1-CG1 3.43Å; L100-I115 VanDerWaalsContact CD1-CG1 3.43Å; L100-I130 HydrophobicContact CD2-CD1 3.71Å; L100-I130 HydrophobicContact CD2-CG1 4.28Å
101K91Very high90.1Very high95 Ų9563.6 Ų63.641%0.41332%0.317SS..Hα-helixtrans-59.6-48.5-179.7-168.6175.8-179.2176.60111K97 K98 Y103 F104 S105 V110K97-K101 WeakPolarHBondContact O-CB 3.28Å; K97-K101 PolarHBondContact O-N 3.36Å; K98-K101 WeakPolarHBondContact O-CB 3.05Å; K98-K101 PolarHBondContact O-N 3.4Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 2.76Å; K101-F104 PolarHBondContact O-N 2.96Å; K101-S105 VanDerWaalsContact O-CB 3.22Å; K101-S105 WeakPolarHBondContact O-CB 3.3Å; K101-S105 PolarHBondContact O-N 3.23Å; K101-S105 PolarHBondContact O-OG 3.48Å; K101-V110 HydrophobicContact CG-CB 4.18Å; K101-V110 HydrophobicContact CG-CG1 4.27Å
102D91.8Very high89.9Confident88 Ų8865.7 Ų65.747%0.47133%0.328SS..Hα-helixtrans-64.4-38.2-176.9-67.8-10.2000111.5K98 L100K98-D102 WeakPolarHBondContact O-CB 2.87Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 3.01Å; L100-D102 PolarHBondContact O-N 2.97Å
103Y91.1Very high89.8Confident40 Ų4064.7 Ų64.716%0.15732%0.321CS..Hα-helixtrans-69.1-49.1176.1-177.1-96.8000112.5D99 L100 K101 S105 K106 F107 H147 R148 L149 I154D99-Y103 VanDerWaalsContact O-CB 3.3Å; D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 3.3Å; L100-Y103 PolarHBondContact O-N 3.3Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 2.76Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.49Å; Y103-K106 WeakPolarHBondContact O-CG 3.41Å; Y103-K106 PolarHBondContact O-N 2.81Å; Y103-F107 HydrophobicContact CD1-CE2 4.44Å; Y103-F107 HydrophobicContact CE1-CE2 4.02Å; Y103-H147 HydrophobicContact CE1-CB 4.28Å; Y103-H147 AromaticContact CE1-ND1 3.77Å; Y103-H147 AromaticContact CZ-ND1 3.89Å; Y103-H147 WeakPolarHBondContact OH-CB 3.35Å; Y103-H147 PolarHBondContact OH-ND1 2.76Å; Y103-H147 VanDerWaalsContact OH-ND1 3.12Å; Y103-R148 WeakPolarHBondContact CE2-O 3.22Å; Y103-R148 PolarHBondContact OH-N 3.47Å; Y103-L149 HydrophobicContact CD1-CD1 4.04Å; Y103-L149 HydrophobicContact CD2-CD1 3.8Å; Y103-L149 HydrophobicContact CG-CD1 3.44Å; Y103-L149 VanDerWaalsContact CG-CD1 3.44Å; Y103-I154 HydrophobicContact CD1-CD1 4.23Å; Y103-I154 HydrophobicContact CE1-CD1 3.85Å
104F90.3Very high89.8Confident0 Ų059.5 Ų59.50%030%0.304CS..Hα-helixtrans-77.5-19.2-175.4-77.8-80.8000113.4V88 L100 K101 K106 F107 G108 V110 I130 F132 V141 I154 P156V88-F104 HydrophobicContact CB-CZ 4.46Å; V88-F104 HydrophobicContact CG1-CE2 4.03Å; V88-F104 HydrophobicContact CG1-CZ 3.86Å; V88-F104 HydrophobicContact CG2-CE1 4.4Å; V88-F104 HydrophobicContact CG2-CE2 3.98Å; V88-F104 HydrophobicContact CG2-CZ 3.68Å; L100-F104 HydrophobicContact CD2-CD2 3.93Å; L100-F104 HydrophobicContact CD2-CE2 3.66Å; L100-F104 WeakPolarHBondContact O-CB 3.18Å; L100-F104 VanDerWaalsContact O-CD2 3.28Å; L100-F104 WeakPolarHBondContact O-CD2 3.24Å; L100-F104 PolarHBondContact O-N 2.93Å; K101-F104 PolarHBondContact O-N 2.96Å; F104-K106 PolarHBondContact O-N 3.12Å; F104-K106 VanDerWaalsContact O-N 3.08Å; F104-F107 HydrophobicContact CD1-CD2 4.4Å; F104-F107 PolarHBondContact O-N 2.97Å; F104-G108 PolarHBondContact O-N 2.81Å; F104-V110 HydrophobicContact CB-CG2 3.92Å; F104-I130 HydrophobicContact CB-CD1 3.88Å; F104-I130 HydrophobicContact CD1-CD1 3.95Å; F104-I130 HydrophobicContact CD2-CD1 3Å; F104-I130 HydrophobicContact CE1-CD1 4.23Å; F104-I130 HydrophobicContact CE2-CD1 3.36Å; F104-I130 HydrophobicContact CG-CD1 3.31Å; F104-I130 HydrophobicContact CZ-CD1 3.96Å; F104-F132 HydrophobicContact CB-CE1 4.37Å; F104-F132 HydrophobicContact CB-CZ 3.92Å; F104-F132 HydrophobicContact CD1-CE2 4.47Å; F104-F132 AromaticContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CG-CZ 4.36Å; F104-F132 WeakPolarHBondContact O-CE1 3.28Å; F104-V141 HydrophobicContact CD1-CG1 4.46Å; F104-V141 HydrophobicContact CD1-CG2 3.8Å; F104-V141 HydrophobicContact CE1-CG1 3.82Å; F104-V141 HydrophobicContact CE1-CG2 3.99Å; F104-I154 HydrophobicContact CE2-CD1 3.79Å; F104-I154 HydrophobicContact CZ-CD1 3.59Å; F104-P156 HydrophobicContact CE1-CB 4.36Å; F104-P156 HydrophobicContact CZ-CB 4.41Å
105S90.3Very high90Very high56 Ų5653.7 Ų53.739%0.39227%0.272SS..THydrogen-bonded Turntrans-59.3-18.7172.5-66.20000113.5K101 Y103 F107 G108K101-S105 VanDerWaalsContact O-CB 3.22Å; K101-S105 WeakPolarHBondContact O-CB 3.3Å; K101-S105 PolarHBondContact O-N 3.23Å; K101-S105 PolarHBondContact O-OG 3.48Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.49Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.46Å; S105-G108 VanDerWaalsContact CA-O 3.3Å; S105-G108 WeakPolarHBondContact CA-O 3.44Å
106K90.1Very high90Very high160 Ų16057.1 Ų57.170%0.69629%0.287SS*.THydrogen-bonded Turntrans-69.9-24.5175-61.5176.9-176.1178.30113.4Y103 F104Y103-K106 WeakPolarHBondContact O-CG 3.41Å; Y103-K106 PolarHBondContact O-N 2.81Å; F104-K106 PolarHBondContact O-N 3.12Å; F104-K106 VanDerWaalsContact O-N 3.08Å
107F88.4Confident90Very high24 Ų2460.5 Ų60.511%0.10530%0.299CS..THydrogen-bonded Turntrans-100.3-27.8-176.6-57.2-81.6000111.8Y103 F104 S105 K140 V141 Q144 H147Y103-F107 HydrophobicContact CD1-CE2 4.44Å; Y103-F107 HydrophobicContact CE1-CE2 4.02Å; F104-F107 HydrophobicContact CD1-CD2 4.4Å; F104-F107 PolarHBondContact O-N 2.97Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.46Å; F107-K140 HydrophobicContact CB-CB 4.32Å; F107-K140 HydrophobicContact CD1-CB 4.34Å; F107-K140 WeakPolarHBondContact O-CD 3.37Å; F107-V141 HydrophobicContact CB-CG2 3.59Å; F107-V141 HydrophobicContact CD1-CG2 4.25Å; F107-V141 HydrophobicContact CD2-CG2 3.9Å; F107-V141 HydrophobicContact CG-CG2 3.64Å; F107-Q144 VanDerWaalsContact CE1-CD 3.45Å; F107-Q144 HydrophobicContact CE1-CG 4.23Å; F107-Q144 VanDerWaalsContact CE1-OE1 3.31Å; F107-H147 AromaticContact CZ-CE1 3.74Å; F107-H147 AromaticContact CZ-ND1 3.98Å
108G87.8Confident90Very high20 Ų2058.3 Ų58.321%0.20629%0.292CS..SBendtrans-179.1170.3174.900000112.3F104 S105 V110F104-G108 PolarHBondContact O-N 2.81Å; S105-G108 VanDerWaalsContact CA-O 3.3Å; S105-G108 WeakPolarHBondContact CA-O 3.44Å; G108-V110 PolarHBondContact O-N 3.32Å
109E90.1Very high89.8Confident118 Ų11861 Ų6155%0.55131%0.307SS*.  trans-67.3119.4177.1-168.3-178.615500110.4F132 K133E109-F132 WeakPolarHBondContact O-CA 3.19Å; E109-K133 HydrophobicContact CB-CB 4.2Å; E109-K133 HydrophobicContact CB-CD 4.32Å; E109-K133 HydrophobicContact CG-CB 4.5Å; E109-K133 HydrophobicContact CG-CD 4.13Å; E109-K133 PolarHBondContact O-N 3.13Å; E109-K133 WeakPolarHBondContact OE1-CD 3.36Å; E109-K133 IonicContact OE1-NZ 2.75Å; E109-K133 PolarHBondContact OE1-NZ 3.49Å; E109-K133 WeakPolarHBondContact OE2-CD 3.19Å; E109-K133 IonicContact OE2-NZ 2.92Å; E109-K133 PolarHBondContact OE2-NZ 2.87Å
110V90.9Very high89.4Confident7 Ų767.1 Ų67.14%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-91113.3178.6176.30000109.8K101 F104 G108 D112 C113 I130 L131 F132K101-V110 HydrophobicContact CG-CB 4.18Å; K101-V110 HydrophobicContact CG-CG1 4.27Å; F104-V110 HydrophobicContact CB-CG2 3.92Å; G108-V110 PolarHBondContact O-N 3.32Å; V110-D112 WeakPolarHBondContact CG1-O 3.36Å; V110-C113 HydrophobicContact CG1-CB 4.43Å; V110-I130 HydrophobicContact CB-CG2 4.39Å; V110-I130 HydrophobicContact CG1-CG2 3.58Å; V110-I130 HydrophobicContact CG2-CG2 3.93Å; V110-L131 CarbonylContact C-O 3.53Å; V110-F132 HydrophobicContact CG2-CD1 3.98Å; V110-F132 HydrophobicContact CG2-CE1 3.68Å; V110-F132 HydrophobicContact CG2-CZ 4.3Å
111T89.4Confident89.2Confident83 Ų8371.6 Ų71.651%0.50936%0.361SS..EExtended strand (participates in β ladder)trans-71-50175.8-530000111.1L131 K133T111-L131 HydrophobicContact CG2-CD2 4.37Å; T111-L131 PolarHBondContact N-O 2.97Å; T111-K133 VanDerWaalsContact OG1-CA 3.29Å; T111-K133 WeakPolarHBondContact OG1-CA 3.47Å; T111-K133 WeakPolarHBondContact OG1-CB 3.41Å; T111-K133 PolarHBondContact OG1-N 3.21Å
112D87.1Confident88.9Confident43 Ų4369.6 Ų69.623%0.2337%0.368CS..EExtended strand (participates in β ladder)trans-147.6157.2179.1-160.713.1000112.4I74 K97 V110 I130 L131I74-D112 HydrophobicContact CG2-CB 3.91Å; I74-D112 WeakPolarHBondContact CG2-OD2 3.34Å; K97-D112 WeakPolarHBondContact CE-OD1 3.18Å; K97-D112 IonicContact NZ-OD1 2.78Å; K97-D112 PolarHBondContact NZ-OD1 3.47Å; V110-D112 WeakPolarHBondContact CG1-O 3.36Å; D112-I130 CarbonylContact O-C 3.52Å; D112-L131 HydrophobicContact CB-CB 4.34Å; D112-L131 PolarHBondContact N-O 3.46Å; D112-L131 PolarHBondContact O-N 2.88Å
113C89.7Confident88.7Confident2 Ų271.4 Ų71.41%0.01437%0.368CS..EExtended strand (participates in β ladder)trans-144.4141.6174.240.20000110.4K97 V110 F129 I130K97-C113 WeakPolarHBondContact CD-O 3.44Å; K97-C113 WeakPolarHBondContact CE-O 3.35Å; K97-C113 WeakPolarHBondContact CE-SG 3.41Å; K97-C113 HydrophobicContact CG-CB 4.16Å; K97-C113 WeakPolarHBondContact CG-SG 3.46Å; K97-C113 PolarHBondContact NZ-O 3.5Å; V110-C113 HydrophobicContact CG1-CB 4.43Å; C113-F129 CarbonylContact C-O 3.56Å; C113-F129 WeakPolarHBondContact CA-O 3.3Å; C113-I130 HydrophobicContact CB-CG1 4.28Å
114T89.8Confident88.6Confident18 Ų1870 Ų7011%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-139.7121.6-176.4-64.60000109.4K116 G128 F129T114-K116 HydrophobicContact CG2-CD 4.45Å; T114-G128 CarbonylContact O-C 3.58Å; T114-G128 WeakPolarHBondContact O-CA 3.5Å; T114-F129 PolarHBondContact N-O 2.8Å; T114-F129 PolarHBondContact O-N 2.82Å
115I91.3Very high88.5Confident18 Ų1877.3 Ų77.39%0.09239%0.391CS..EExtended strand (participates in β ladder)trans-92.4131.9171.6-56.8-177.2000108.4T95 S96 L100 M117T95-I115 HydrophobicContact CG2-CD1 4.47Å; T95-I115 WeakPolarHBondContact O-CD1 3.44Å; S96-I115 VanDerWaalsContact C-CD1 3.45Å; L100-I115 HydrophobicContact CD1-CD1 3.59Å; L100-I115 HydrophobicContact CD1-CG1 3.43Å; L100-I115 VanDerWaalsContact CD1-CG1 3.43Å; I115-M117 PolarHBondContact O-N 3.25Å
116K89.1Confident88.5Confident78 Ų7875 Ų7534%0.33938%0.377SS..EExtended strand (participates in β ladder)trans-83.4113.5174-67.5-55.9-173.2-174.40109.3T114 R125 F127 F129T114-K116 HydrophobicContact CG2-CD 4.45Å; K116-R125 VanDerWaalsContact O-CB 3.25Å; K116-R125 WeakPolarHBondContact O-CB 3.27Å; K116-R125 WeakPolarHBondContact O-CG 3.48Å; K116-R125 PolarHBondContact O-N 3.47Å; K116-F127 HydrophobicContact CB-CD2 4.07Å; K116-F127 HydrophobicContact CB-CE1 4.43Å; K116-F127 HydrophobicContact CB-CE2 3.54Å; K116-F127 HydrophobicContact CB-CZ 3.74Å; K116-F127 HydrophobicContact CG-CD2 4.15Å; K116-F127 HydrophobicContact CG-CE2 3.54Å; K116-F127 HydrophobicContact CG-CZ 4.14Å; K116-F127 PolarHBondContact N-O 3.23Å; K116-F129 HydrophobicContact CG-CD2 4.29Å; K116-F129 HydrophobicContact CG-CE2 4.02Å
117M90.1Very high88.5Confident117 Ų11769.4 Ų69.458%0.57635%0.353SS*.EExtended strand (participates in β ladder)trans-96.8151.6173.3-58.3174.7-174.700109.4I115 Q119 R123I115-M117 PolarHBondContact O-N 3.25Å; M117-Q119 PolarHBondContact O-N 3.19Å; M117-R123 CarbonylContact C-O 3.54Å; M117-R123 WeakPolarHBondContact CA-O 3.48Å
118D88.9Confident88.7Confident58 Ų5868.3 Ų68.331%0.3135%0.348SS..  trans-71.3123.4170.6175.311.9000108.8Q120 T121 G122 R123 R125D118-Q120 PolarHBondContact O-N 3.01Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; D118-Q120 VanDerWaalsContact OD1-N 3.07Å; D118-T121 WeakPolarHBondContact CB-OG1 3.34Å; D118-T121 VanDerWaalsContact CG-OG1 3.29Å; D118-T121 PolarHBondContact O-N 2.91Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.06Å; D118-T121 PolarHBondContact OD2-OG1 2.87Å; D118-G122 VanDerWaalsContact O-CA 3.26Å; D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 3.34Å; D118-R123 PolarHBondContact N-O 3.08Å; D118-R125 HydrophobicContact CB-CG 4.2Å
119Q86.9Confident88.9Confident199 Ų19969.3 Ų69.393%0.9335%0.346SS*.THydrogen-bonded Turntrans-67.2-23.4-176.3-167175.18.200112.5M117M117-Q119 PolarHBondContact O-N 3.19Å
120Q83.3Confident89Confident185 Ų18563.7 Ų63.786%0.86432%0.32SS*.THydrogen-bonded Turntrans-85.5-38.9179.6-63-169.616.200112.8D118D118-Q120 PolarHBondContact O-N 3.01Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; D118-Q120 VanDerWaalsContact OD1-N 3.07Å
121T86.9Confident88.9Confident94 Ų9464.2 Ų64.258%0.57732%0.323SS*.THydrogen-bonded Turntrans-106.8-10.3-172.963.60000113.9D118 R123D118-T121 WeakPolarHBondContact CB-OG1 3.34Å; D118-T121 VanDerWaalsContact CG-OG1 3.29Å; D118-T121 PolarHBondContact O-N 2.91Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.06Å; D118-T121 PolarHBondContact OD2-OG1 2.87Å; T121-R123 PolarHBondContact O-N 2.81Å; T121-R123 VanDerWaalsContact O-N 3.12Å; T121-R123 WeakPolarHBondContact OG1-CB 3.23Å; T121-R123 PolarHBondContact OG1-N 3.39Å
122G84.9Confident89Confident53 Ų5360.6 Ų60.655%0.54630%0.3SS..  trans681-173.300000113.9D118D118-G122 VanDerWaalsContact O-CA 3.26Å; D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 3.34Å
123R86.3Confident89.1Confident126 Ų12664.5 Ų64.548%0.47532%0.315SS..  trans-80.5141.8-175.6-165.4-178.9-168.4-179.710111W93 M117 D118 T121 R125W93-R123 VanDerWaalsContact CD2-NH2 3.3Å; M117-R123 CarbonylContact C-O 3.54Å; M117-R123 WeakPolarHBondContact CA-O 3.48Å; D118-R123 PolarHBondContact N-O 3.08Å; T121-R123 PolarHBondContact O-N 2.81Å; T121-R123 VanDerWaalsContact O-N 3.12Å; T121-R123 WeakPolarHBondContact OG1-CB 3.23Å; T121-R123 PolarHBondContact OG1-N 3.39Å; R123-R125 PolarHBondContact O-N 3.23Å
124S89.4Confident89Confident10 Ų1070.6 Ų70.67%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-56.3133.2170.4176.10000111W93 G126W93-S124 VanDerWaalsContact O-CB 3.26Å; W93-S124 WeakPolarHBondContact O-CB 3.41Å; S124-G126 PolarHBondContact O-N 3.38Å; S124-G126 PolarHBondContact OG-N 2.64Å; S124-G126 VanDerWaalsContact OG-N 3.16Å
125R88.3Confident88.8Confident154 Ų15471.8 Ų71.858%0.58136%0.355SS*.EExtended strand (participates in β ladder)trans-77.92.5174.4-60.6177.563.3-174.3-4.4112.3K116 D118 R123 F127K116-R125 VanDerWaalsContact O-CB 3.25Å; K116-R125 WeakPolarHBondContact O-CB 3.27Å; K116-R125 WeakPolarHBondContact O-CG 3.48Å; K116-R125 PolarHBondContact O-N 3.47Å; D118-R125 HydrophobicContact CB-CG 4.2Å; R123-R125 PolarHBondContact O-N 3.23Å; R125-F127 VanDerWaalsContact C-N 3.31Å; R125-F127 HydrophobicContact CB-CD1 3.67Å; R125-F127 HydrophobicContact CB-CE1 3.37Å; R125-F127 HydrophobicContact CB-CZ 4.25Å; R125-F127 HydrophobicContact CG-CE1 4.27Å; R125-F127 WeakPolarHBondContact O-CD1 3.48Å
126G89.4Confident88.6Confident9 Ų972.9 Ų72.99%0.09337%0.367CS..EExtended strand (participates in β ladder)trans74.121.2-179.800000113.6G90 L91 S124G90-G126 PolarHBondContact N-O 3.44Å; L91-G126 PolarHBondContact N-O 3.16Å; L91-G126 WeakPolarHBondContact O-CA 3.14Å; S124-G126 PolarHBondContact O-N 3.38Å; S124-G126 PolarHBondContact OG-N 2.64Å; S124-G126 VanDerWaalsContact OG-N 3.16Å
127F91.4Very high88.5Confident42 Ų4269.3 Ų69.318%0.18435%0.352CS..EExtended strand (participates in β ladder)trans-149.3157.217370.9-91.4000111.6F87 V88 K116 R125 F129F87-F127 HydrophobicContact CD2-CD2 4.46Å; F87-F127 HydrophobicContact CE2-CB 3.88Å; F87-F127 AromaticContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CE2 4.44Å; F87-F127 AromaticContact CE2-CG 4Å; F87-F127 HydrophobicContact CE2-CG 4Å; F87-F127 HydrophobicContact CZ-CB 3.91Å; F87-F127 HydrophobicContact CZ-CD2 4.42Å; F87-F127 HydrophobicContact CZ-CG 4.35Å; V88-F127 CarbonylContact O-C 3.42Å; V88-F127 VanDerWaalsContact O-CA 3.22Å; V88-F127 WeakPolarHBondContact O-CA 3.29Å; V88-F127 WeakPolarHBondContact O-CB 3.4Å; K116-F127 HydrophobicContact CB-CD2 4.07Å; K116-F127 HydrophobicContact CB-CE1 4.43Å; K116-F127 HydrophobicContact CB-CE2 3.54Å; K116-F127 HydrophobicContact CB-CZ 3.74Å; K116-F127 HydrophobicContact CG-CD2 4.15Å; K116-F127 HydrophobicContact CG-CE2 3.54Å; K116-F127 HydrophobicContact CG-CZ 4.14Å; K116-F127 PolarHBondContact N-O 3.23Å; R125-F127 VanDerWaalsContact C-N 3.31Å; R125-F127 HydrophobicContact CB-CD1 3.67Å; R125-F127 HydrophobicContact CB-CE1 3.37Å; R125-F127 HydrophobicContact CB-CZ 4.25Å; R125-F127 HydrophobicContact CG-CE1 4.27Å; R125-F127 WeakPolarHBondContact O-CD1 3.48Å; F127-F129 HydrophobicContact CE2-CE2 4.33Å
128G91.8Very high88.4Confident0 Ų063.8 Ų63.80%032%0.324CS..EExtended strand (participates in β ladder)trans-152.8-180-17900000112.5V88 T114V88-G128 PolarHBondContact N-O 3.24Å; V88-G128 PolarHBondContact O-N 3.39Å; T114-G128 CarbonylContact O-C 3.58Å; T114-G128 WeakPolarHBondContact O-CA 3.5Å
129F92.3Very high88.3Confident41 Ų4164.8 Ų64.818%0.1833%0.33CS..EExtended strand (participates in β ladder)trans-124.6144.7174.3-62.7-85.8000109.4I74 M86 F87 C113 T114 K116 F127 A159I74-F129 HydrophobicContact CD1-CB 4.13Å; M86-F129 CarbonylContact O-C 3.6Å; M86-F129 VanDerWaalsContact O-CA 3.24Å; M86-F129 WeakPolarHBondContact O-CA 3.24Å; F87-F129 HydrophobicContact CB-CD1 4.32Å; F87-F129 HydrophobicContact CB-CE1 4.16Å; F87-F129 HydrophobicContact CD2-CD1 4.4Å; F87-F129 AromaticContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CZ 4Å; F87-F129 HydrophobicContact CG-CE1 4.49Å; C113-F129 CarbonylContact C-O 3.56Å; C113-F129 WeakPolarHBondContact CA-O 3.3Å; T114-F129 PolarHBondContact N-O 2.8Å; T114-F129 PolarHBondContact O-N 2.82Å; K116-F129 HydrophobicContact CG-CD2 4.29Å; K116-F129 HydrophobicContact CG-CE2 4.02Å; F127-F129 HydrophobicContact CE2-CE2 4.33Å; F129-A159 HydrophobicContact CD1-CB 4.34Å
130I91.4Very high88.5Confident1 Ų160.6 Ų60.61%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-126.3141.9174.3-56.5-178.3000107.2K85 M86 V88 L100 F104 V110 D112 C113 F132K85-I130 CarbonylContact C-O 3.59Å; K85-I130 WeakPolarHBondContact CA-O 3.49Å; M86-I130 PolarHBondContact N-O 3.46Å; M86-I130 PolarHBondContact O-N 2.78Å; V88-I130 HydrophobicContact CG2-CD1 3.66Å; V88-I130 HydrophobicContact CG2-CG1 3.94Å; L100-I130 HydrophobicContact CD2-CD1 3.71Å; L100-I130 HydrophobicContact CD2-CG1 4.28Å; F104-I130 HydrophobicContact CB-CD1 3.88Å; F104-I130 HydrophobicContact CD1-CD1 3.95Å; F104-I130 HydrophobicContact CD2-CD1 3Å; F104-I130 HydrophobicContact CE1-CD1 4.23Å; F104-I130 HydrophobicContact CE2-CD1 3.36Å; F104-I130 HydrophobicContact CG-CD1 3.31Å; F104-I130 HydrophobicContact CZ-CD1 3.96Å; V110-I130 HydrophobicContact CB-CG2 4.39Å; V110-I130 HydrophobicContact CG1-CG2 3.58Å; V110-I130 HydrophobicContact CG2-CG2 3.93Å; D112-I130 CarbonylContact O-C 3.52Å; C113-I130 HydrophobicContact CB-CG1 4.28Å; I130-F132 HydrophobicContact CG2-CD2 4.34Å; I130-F132 HydrophobicContact CG2-CE2 4.15Å; I130-F132 HydrophobicContact CG2-CZ 4.47Å
131L89.9Confident88.7Confident18 Ų1851.8 Ų51.89%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-117112.2172.4-177.665.5000107.7E81 K85 V110 T111 D112E81-L131 WeakPolarHBondContact O-CD1 3.34Å; K85-L131 HydrophobicContact CB-CD1 4.04Å; V110-L131 CarbonylContact C-O 3.53Å; T111-L131 HydrophobicContact CG2-CD2 4.37Å; T111-L131 PolarHBondContact N-O 2.97Å; D112-L131 HydrophobicContact CB-CB 4.34Å; D112-L131 PolarHBondContact N-O 3.46Å; D112-L131 PolarHBondContact O-N 2.88Å
132F90.9Very high88.8Confident6 Ų650.4 Ų50.43%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-79.6150.1168.5-73.1-81.6000110.3G84 M86 F104 E109 V110 I130 E134 V138 V141G84-F132 PolarHBondContact O-N 2.84Å; M86-F132 HydrophobicContact CG-CD2 4.32Å; M86-F132 HydrophobicContact CG-CE2 4.24Å; F104-F132 HydrophobicContact CB-CE1 4.37Å; F104-F132 HydrophobicContact CB-CZ 3.92Å; F104-F132 HydrophobicContact CD1-CE2 4.47Å; F104-F132 AromaticContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CG-CZ 4.36Å; F104-F132 WeakPolarHBondContact O-CE1 3.28Å; E109-F132 WeakPolarHBondContact O-CA 3.19Å; V110-F132 HydrophobicContact CG2-CD1 3.98Å; V110-F132 HydrophobicContact CG2-CE1 3.68Å; V110-F132 HydrophobicContact CG2-CZ 4.3Å; I130-F132 HydrophobicContact CG2-CD2 4.34Å; I130-F132 HydrophobicContact CG2-CE2 4.15Å; I130-F132 HydrophobicContact CG2-CZ 4.47Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.32Å; F132-V138 HydrophobicContact CB-CG2 4.41Å; F132-V138 HydrophobicContact CD2-CG2 3.65Å; F132-V138 HydrophobicContact CE2-CG2 4.34Å; F132-V138 HydrophobicContact CG-CG2 4.36Å; F132-V141 HydrophobicContact CE2-CG2 4.22Å; F132-V141 HydrophobicContact CZ-CG2 3.91Å
133K89.1Confident88.9Confident125 Ų12555.9 Ų55.954%0.54327%0.268SS..SBendtrans-67.6-35.1171.2-172.4177.2179.3178.80112E109 T111E109-K133 HydrophobicContact CB-CB 4.2Å; E109-K133 HydrophobicContact CB-CD 4.32Å; E109-K133 HydrophobicContact CG-CB 4.5Å; E109-K133 HydrophobicContact CG-CD 4.13Å; E109-K133 PolarHBondContact O-N 3.13Å; E109-K133 WeakPolarHBondContact OE1-CD 3.36Å; E109-K133 IonicContact OE1-NZ 2.75Å; E109-K133 PolarHBondContact OE1-NZ 3.49Å; E109-K133 WeakPolarHBondContact OE2-CD 3.19Å; E109-K133 IonicContact OE2-NZ 2.92Å; E109-K133 PolarHBondContact OE2-NZ 2.87Å; T111-K133 VanDerWaalsContact OG1-CA 3.29Å; T111-K133 WeakPolarHBondContact OG1-CA 3.47Å; T111-K133 WeakPolarHBondContact OG1-CB 3.41Å; T111-K133 PolarHBondContact OG1-N 3.21Å
134E87.6Confident88.8Confident131 Ų13154.3 Ų54.361%0.61227%0.266SS*.SBendtrans-123.2139.9179.4-64.1-176.3177.200111F132 A136 G137F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.32Å; E134-A136 HydrophobicContact CB-CB 4.49Å; E134-A136 PolarHBondContact O-N 2.85Å; E134-G137 PolarHBondContact O-N 2.87Å; E134-G137 VanDerWaalsContact O-N 3.12Å
135A86.1Confident88.2Confident42 Ų4263.5 Ų63.535%0.34730%0.304SS..Hα-helixtrans-61.8-24174.300000112.7A83 G137 V138 D139A83-A135 HydrophobicContact CB-CB 3.99Å; A135-G137 PolarHBondContact O-N 3.37Å; A135-V138 WeakPolarHBondContact O-CA 3.18Å; A135-V138 VanDerWaalsContact O-CB 3.27Å; A135-V138 WeakPolarHBondContact O-CB 3.26Å; A135-V138 PolarHBondContact O-N 3.4Å; A135-D139 PolarHBondContact O-N 2.83Å
136A87.5Confident88.1Confident42 Ų4263.3 Ų63.335%0.34731%0.31SS..Hα-helixtrans-59.1-30.8174.700000113E134 V138 D139 K140E134-A136 HydrophobicContact CB-CB 4.49Å; E134-A136 PolarHBondContact O-N 2.85Å; A136-V138 VanDerWaalsContact C-N 3.3Å; A136-V138 PolarHBondContact O-N 3.35Å; A136-D139 PolarHBondContact O-N 3.04Å; A136-K140 WeakPolarHBondContact O-CG 3.25Å; A136-K140 PolarHBondContact O-N 3.06Å
137G86.8Confident88.1Confident2 Ų263 Ų632%0.02131%0.306CS..Hα-helixtrans-65.3-35.5174.200000112.3E134 A135 V141E134-G137 PolarHBondContact O-N 2.87Å; E134-G137 VanDerWaalsContact O-N 3.12Å; A135-G137 PolarHBondContact O-N 3.37Å; G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.48Å; G137-V141 PolarHBondContact O-N 3.36Å
138V86.9Confident88Confident1 Ų168.5 Ų68.51%0.00633%0.326CS..Hα-helixtrans-66.8-46.1176.4170.70000111.4A83 M86 F132 A135 A136 K140 V141 L142 K158A83-V138 WeakPolarHBondContact O-CG2 3.26Å; M86-V138 HydrophobicContact CE-CG1 4.12Å; M86-V138 HydrophobicContact CG-CB 4.05Å; M86-V138 HydrophobicContact CG-CG1 3.77Å; M86-V138 HydrophobicContact CG-CG2 3.47Å; M86-V138 VanDerWaalsContact CG-CG2 3.47Å; M86-V138 HydrophobicContact SD-CB 4.23Å; M86-V138 HydrophobicContact SD-CG1 3.32Å; M86-V138 WeakPolarHBondContact SD-CG1 3.47Å; M86-V138 HydrophobicContact SD-CG2 4.24Å; F132-V138 HydrophobicContact CB-CG2 4.41Å; F132-V138 HydrophobicContact CD2-CG2 3.65Å; F132-V138 HydrophobicContact CE2-CG2 4.34Å; F132-V138 HydrophobicContact CG-CG2 4.36Å; A135-V138 WeakPolarHBondContact O-CA 3.18Å; A135-V138 VanDerWaalsContact O-CB 3.27Å; A135-V138 WeakPolarHBondContact O-CB 3.26Å; A135-V138 PolarHBondContact O-N 3.4Å; A136-V138 VanDerWaalsContact C-N 3.3Å; A136-V138 PolarHBondContact O-N 3.35Å; V138-K140 PolarHBondContact O-N 2.81Å; V138-V141 PolarHBondContact O-N 2.77Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.47Å; V138-K158 HydrophobicContact CG1-CG 4.15Å
139D87.7Confident87.8Confident80 Ų8069 Ų6943%0.42833%0.328SS..Hα-helixtrans-67.1-37.2-177.3-63.3-39.8000111.6A135 A136 V141 L142 E143 K158A135-D139 PolarHBondContact O-N 2.83Å; A136-D139 PolarHBondContact O-N 3.04Å; D139-V141 PolarHBondContact O-N 3.47Å; D139-L142 PolarHBondContact O-N 3.08Å; D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 PolarHBondContact O-N 3.38Å; D139-K158 IonicContact OD1-NZ 2.78Å; D139-K158 PolarHBondContact OD1-NZ 3.39Å
140K89.6Confident87.4Confident110 Ų11071.2 Ų71.248%0.47834%0.342SS..Hα-helixtrans-63.1-37.6173.1-72.3169.2-178.71750113.4F107 A136 V138 Q144F107-K140 HydrophobicContact CB-CB 4.32Å; F107-K140 HydrophobicContact CD1-CB 4.34Å; F107-K140 WeakPolarHBondContact O-CD 3.37Å; A136-K140 WeakPolarHBondContact O-CG 3.25Å; A136-K140 PolarHBondContact O-N 3.06Å; V138-K140 PolarHBondContact O-N 2.81Å; K140-Q144 PolarHBondContact O-N 3.49Å
141V89.1Confident87.1Confident0 Ų073.9 Ų73.90%037%0.37CS..Hα-helixtrans-64.7-45.8173.5169.80000109.4M86 F104 F107 F132 G137 V138 D139 E143 Q144 H147 P156M86-V141 HydrophobicContact CE-CB 4.2Å; M86-V141 HydrophobicContact CE-CG1 3.7Å; F104-V141 HydrophobicContact CD1-CG1 4.46Å; F104-V141 HydrophobicContact CD1-CG2 3.8Å; F104-V141 HydrophobicContact CE1-CG1 3.82Å; F104-V141 HydrophobicContact CE1-CG2 3.99Å; F107-V141 HydrophobicContact CB-CG2 3.59Å; F107-V141 HydrophobicContact CD1-CG2 4.25Å; F107-V141 HydrophobicContact CD2-CG2 3.9Å; F107-V141 HydrophobicContact CG-CG2 3.64Å; F132-V141 HydrophobicContact CE2-CG2 4.22Å; F132-V141 HydrophobicContact CZ-CG2 3.91Å; G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.48Å; G137-V141 PolarHBondContact O-N 3.36Å; V138-V141 PolarHBondContact O-N 2.77Å; D139-V141 PolarHBondContact O-N 3.47Å; V141-E143 VanDerWaalsContact C-N 3.3Å; V141-E143 PolarHBondContact O-N 2.88Å; V141-Q144 CarbonylContact O-C 3.53Å; V141-Q144 PolarHBondContact O-N 3.16Å; V141-Q144 VanDerWaalsContact O-N 3.08Å; V141-H147 PolarHBondContact O-NE2 3.29Å; V141-P156 HydrophobicContact CG1-CB 3.55Å; V141-P156 HydrophobicContact CG1-CG 3.48Å; V141-P156 VanDerWaalsContact CG1-CG 3.48Å
142L87.6Confident87Confident66 Ų6678 Ų7835%0.34639%0.385SS..Hα-helixtrans-70.1-26.4-178.5-66.7166.3000113.8M86 V138 D139 Q144 K158M86-L142 HydrophobicContact CE-CD1 4.43Å; M86-L142 HydrophobicContact CE-CD2 3.84Å; M86-L142 HydrophobicContact CE-CG 3.89Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.47Å; D139-L142 PolarHBondContact O-N 3.08Å; L142-Q144 PolarHBondContact O-N 3.28Å; L142-K158 HydrophobicContact CD1-CD 3.92Å; L142-K158 HydrophobicContact CD1-CG 3.48Å; L142-K158 VanDerWaalsContact CD1-CG 3.48Å
143E88Confident87Confident168 Ų16882.8 Ų82.879%0.78541%0.407SS*.Hα-helixtrans-62.6-33.7170.9-171.1174.3-164.800111.1D139 V141 K145D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 PolarHBondContact O-N 3.38Å; V141-E143 VanDerWaalsContact C-N 3.3Å; V141-E143 PolarHBondContact O-N 2.88Å; E143-K145 PolarHBondContact O-N 3.05Å
144Q84.9Confident87.1Confident93 Ų9377.1 Ų77.144%0.43538%0.382SS..  trans-81.6109.5169.1-77.5-1663.700111.4F107 K140 V141 L142 E146 H147F107-Q144 VanDerWaalsContact CE1-CD 3.45Å; F107-Q144 HydrophobicContact CE1-CG 4.23Å; F107-Q144 VanDerWaalsContact CE1-OE1 3.31Å; K140-Q144 PolarHBondContact O-N 3.49Å; V141-Q144 CarbonylContact O-C 3.53Å; V141-Q144 PolarHBondContact O-N 3.16Å; V141-Q144 VanDerWaalsContact O-N 3.08Å; L142-Q144 PolarHBondContact O-N 3.28Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.92Å; Q144-H147 VanDerWaalsContact CB-CE1 3.44Å; Q144-H147 WeakPolarHBondContact CB-CE1 3.48Å; Q144-H147 PolarHBondContact O-CD2 3.04Å; Q144-H147 PolarHBondContact O-NE2 2.78Å; Q144-H147 PolarHBondContact OE1-CE1 3.49Å
145K76.9Confident87.2Confident203 Ų20374.9 Ų74.988%0.88338%0.375SS*.SBendtrans-72.4-22.5-180-163.1174.7-178.7-179.90113.8E143E143-K145 PolarHBondContact O-N 3.05Å
146E86Confident87.3Confident149 Ų14973.7 Ų73.770%0.69636%0.363SS*.  trans-127.6120.9-177.6-68.8-171.4-175.600111.5Q144Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.92Å
147H88.1Confident87.4Confident3 Ų377.2 Ų77.21%0.01437%0.371CS..EExtended strand (participates in β ladder)trans-121.7141.8174-67-81.2000110.2Y103 F107 V141 Q144 Q153 I154 P156Y103-H147 HydrophobicContact CE1-CB 4.28Å; Y103-H147 AromaticContact CE1-ND1 3.77Å; Y103-H147 AromaticContact CZ-ND1 3.89Å; Y103-H147 WeakPolarHBondContact OH-CB 3.35Å; Y103-H147 PolarHBondContact OH-ND1 2.76Å; Y103-H147 VanDerWaalsContact OH-ND1 3.12Å; F107-H147 AromaticContact CZ-CE1 3.74Å; F107-H147 AromaticContact CZ-ND1 3.98Å; V141-H147 PolarHBondContact O-NE2 3.29Å; Q144-H147 VanDerWaalsContact CB-CE1 3.44Å; Q144-H147 WeakPolarHBondContact CB-CE1 3.48Å; Q144-H147 PolarHBondContact O-CD2 3.04Å; Q144-H147 PolarHBondContact O-NE2 2.78Å; Q144-H147 PolarHBondContact OE1-CE1 3.49Å; H147-Q153 CarbonylContact O-C 3.54Å; H147-Q153 WeakPolarHBondContact O-CA 3.4Å; H147-I154 HydrophobicContact CB-CD1 3.73Å; H147-I154 HydrophobicContact CB-CG1 3.23Å; H147-I154 PolarHBondContact O-N 2.94Å; H147-P156 WeakPolarHBondContact CD2-CG 3.09Å
148R89.4Confident87.4Confident158 Ų15883 Ų8360%0.59640%0.395SS*.EExtended strand (participates in β ladder)trans-135.2128.6178.4-172.4176.8-77.5-109.76.5110Y103 G151 R152Y103-R148 WeakPolarHBondContact CE2-O 3.22Å; Y103-R148 PolarHBondContact OH-N 3.47Å; R148-G151 PolarHBondContact NH1-O 3.49Å; R148-R152 CarbonylContact C-O 3.54Å; R148-R152 VanDerWaalsContact CA-O 3.29Å; R148-R152 WeakPolarHBondContact CA-O 3.46Å; R148-R152 WeakPolarHBondContact CG-O 3.28Å
149L88.2Confident87Confident10 Ų1083.6 Ų83.65%0.05240%0.4CS..EExtended strand (participates in β ladder)trans-134.9134.3178.7-168.6111.6000108.8L91 T95 Y103 G151 R152 I154L91-L149 HydrophobicContact CD2-CD2 4.1Å; T95-L149 HydrophobicContact CG2-CD2 3.29Å; Y103-L149 HydrophobicContact CD1-CD1 4.04Å; Y103-L149 HydrophobicContact CD2-CD1 3.8Å; Y103-L149 HydrophobicContact CG-CD1 3.44Å; Y103-L149 VanDerWaalsContact CG-CD1 3.44Å; L149-G151 PolarHBondContact O-N 3.24Å; L149-G151 VanDerWaalsContact O-N 3.13Å; L149-R152 PolarHBondContact N-O 2.94Å; L149-R152 WeakPolarHBondContact O-CA 3.15Å; L149-R152 PolarHBondContact O-N 2.82Å; L149-I154 HydrophobicContact CB-CD1 4.22Å; L149-I154 HydrophobicContact CB-CG2 3.86Å
150D84.7Confident86.1Confident87 Ų8788.1 Ų88.147%0.46542%0.421SS..THydrogen-bonded Turntrans52.136.3-179.4-52.3-31.1000113.8T95 R152T95-D150 WeakPolarHBondContact CB-OD2 3.3Å; T95-D150 PolarHBondContact OG1-OD2 3.35Å; D150-R152 PolarHBondContact O-N 3.29Å
151G83.8Confident84.8Confident58 Ų5884 Ų8460%0.59841%0.407SS*.THydrogen-bonded Turntrans74.22.1-177.200000114.8R148 L149R148-G151 PolarHBondContact NH1-O 3.49Å; L149-G151 PolarHBondContact O-N 3.24Å; L149-G151 VanDerWaalsContact O-N 3.13Å
152R88.9Confident83.3Confident105 Ų10592.9 Ų92.940%0.39645%0.451SS..EExtended strand (participates in β ladder)trans-110.1139.6178.9-163.6168.9178.3166.70.6111.6G90 L91 R148 L149 D150 I154G90-R152 WeakPolarHBondContact O-CD 3.29Å; G90-R152 VanDerWaalsContact O-CG 3.3Å; G90-R152 WeakPolarHBondContact O-CG 3.47Å; G90-R152 PolarHBondContact O-NE 3.01Å; L91-R152 PolarHBondContact O-NH1 2.95Å; R148-R152 CarbonylContact C-O 3.54Å; R148-R152 VanDerWaalsContact CA-O 3.29Å; R148-R152 WeakPolarHBondContact CA-O 3.46Å; R148-R152 WeakPolarHBondContact CG-O 3.28Å; L149-R152 PolarHBondContact N-O 2.94Å; L149-R152 WeakPolarHBondContact O-CA 3.15Å; L149-R152 PolarHBondContact O-N 2.82Å; D150-R152 PolarHBondContact O-N 3.29Å; R152-I154 PolarHBondContact O-N 2.87Å
153Q89.8Confident81.7Confident106 Ų10696.9 Ų96.950%0.49547%0.466SS..EExtended strand (participates in β ladder)trans-74.1125175.2-171.7170.62.900109.3H147H147-Q153 CarbonylContact O-C 3.54Å; H147-Q153 WeakPolarHBondContact O-CA 3.4Å
154I92.1Very high80.1Confident5 Ų598.6 Ų98.63%0.02647%0.471CS..EExtended strand (participates in β ladder)trans-103.3150.3177.770.4178.6000109.2V88 G89 L91 Y103 F104 H147 L149 R152 P156V88-I154 HydrophobicContact CG1-CB 4.14Å; V88-I154 HydrophobicContact CG1-CD1 3.99Å; V88-I154 HydrophobicContact CG1-CG1 4.39Å; G89-I154 CarbonylContact O-C 3.59Å; G89-I154 VanDerWaalsContact O-CA 3.31Å; G89-I154 WeakPolarHBondContact O-CA 3.44Å; G89-I154 WeakPolarHBondContact O-CB 3.31Å; L91-I154 HydrophobicContact CD2-CG2 3.84Å; Y103-I154 HydrophobicContact CD1-CD1 4.23Å; Y103-I154 HydrophobicContact CE1-CD1 3.85Å; F104-I154 HydrophobicContact CE2-CD1 3.79Å; F104-I154 HydrophobicContact CZ-CD1 3.59Å; H147-I154 HydrophobicContact CB-CD1 3.73Å; H147-I154 HydrophobicContact CB-CG1 3.23Å; H147-I154 PolarHBondContact O-N 2.94Å; L149-I154 HydrophobicContact CB-CD1 4.22Å; L149-I154 HydrophobicContact CB-CG2 3.86Å; R152-I154 PolarHBondContact O-N 2.87Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å
155D89.3Confident78.8Confident85 Ų85101.3 Ų101.346%0.45548%0.483SS..EExtended strand (participates in β ladder)trans-122.890.2-177-166.9-70.8000108.5G89 K157G89-D155 PolarHBondContact N-O 2.88Å; G89-D155 PolarHBondContact O-N 2.82Å; D155-K157 WeakPolarHBondContact OD1-CE 3.49Å; D155-K157 VanDerWaalsContact OD1-CG 3.31Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 IonicContact OD1-NZ 2.78Å
156P89.3Confident77.8Confident16 Ų1695 Ų9510%0.10446%0.463CS..EExtended strand (participates in β ladder)trans-78.7131175.528.3-27.1000110.6M86 F87 V88 F104 V141 H147 I154M86-P156 HydrophobicContact CE-CB 3.83Å; F87-P156 CarbonylContact O-C 3.58Å; F87-P156 VanDerWaalsContact O-CA 3.28Å; F87-P156 WeakPolarHBondContact O-CA 3.44Å; V88-P156 HydrophobicContact CG2-CB 4.45Å; F104-P156 HydrophobicContact CE1-CB 4.36Å; F104-P156 HydrophobicContact CZ-CB 4.41Å; V141-P156 HydrophobicContact CG1-CB 3.55Å; V141-P156 HydrophobicContact CG1-CG 3.48Å; V141-P156 VanDerWaalsContact CG1-CG 3.48Å; H147-P156 WeakPolarHBondContact CD2-CG 3.09Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å
157K88.9Confident76.9Confident117 Ų11790.3 Ų90.351%0.50944%0.444SS..EExtended strand (participates in β ladder)trans-130.9151.7176.1-58.9-169.8-175.2-171.70109.8F87 D155 A159F87-K157 HydrophobicContact CD1-CB 4.37Å; F87-K157 PolarHBondContact N-O 3.49Å; F87-K157 PolarHBondContact O-N 3.38Å; D155-K157 WeakPolarHBondContact OD1-CE 3.49Å; D155-K157 VanDerWaalsContact OD1-CG 3.31Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 IonicContact OD1-NZ 2.78Å; K157-A159 PolarHBondContact O-N 3.46Å; K157-A159 VanDerWaalsContact O-N 3.12Å
158K85.9Confident76.6Confident123 Ų12394.7 Ų94.754%0.53546%0.463SS..EExtended strand (participates in β ladder)trans-50.9124.8168.5-67.2-160.9178.4-162.40108.2M86 V138 D139 L142 M160M86-K158 VanDerWaalsContact SD-CA 3.51Å; M86-K158 HydrophobicContact SD-CG 4.29Å; V138-K158 HydrophobicContact CG1-CG 4.15Å; D139-K158 IonicContact OD1-NZ 2.78Å; D139-K158 PolarHBondContact OD1-NZ 3.39Å; L142-K158 HydrophobicContact CD1-CD 3.92Å; L142-K158 HydrophobicContact CD1-CG 3.48Å; L142-K158 VanDerWaalsContact CD1-CG 3.48Å; K158-M160 PolarHBondContact O-N 2.7Å
159A78.9Confident76.5Confident13 Ų1390.1 Ų90.111%0.10745%0.448CS..  trans-66.1115.2179.200000106.9K85 F87 F129 K157 A161K85-A159 HydrophobicContact CB-CB 4.01Å; K85-A159 HydrophobicContact CD-CB 4.06Å; K85-A159 HydrophobicContact CG-CB 3.61Å; K85-A159 WeakPolarHBondContact O-CB 3.5Å; K85-A159 PolarHBondContact O-N 2.85Å; F87-A159 HydrophobicContact CB-CB 4.42Å; F129-A159 HydrophobicContact CD1-CB 4.34Å; K157-A159 PolarHBondContact O-N 3.46Å; K157-A159 VanDerWaalsContact O-N 3.12Å; A159-A161 PolarHBondContact O-N 3.07Å
160M68.1Low76.5Confident176 Ų17689.6 Ų89.687%0.86745%0.445SS*.  trans-66.196.8154.5-68.7178.5167.600104.5K158 M162K158-M160 PolarHBondContact O-N 2.7Å; M160-M162 PolarHBondContact O-N 3.27Å
161A62.2Low76.7Confident23 Ų2387.8 Ų87.819%0.1943%0.433CS..  trans-49.1117.3157.800000104.2D82 A159 K163D82-A161 WeakPolarHBondContact OD1-CB 3.19Å; A159-A161 PolarHBondContact O-N 3.07Å; A161-K163 HydrophobicContact CB-CG 4.33Å; A161-K163 PolarHBondContact O-N 2.87Å
162M58.3Low76.9Confident187 Ų18785 Ų8592%0.92141%0.405SS*.  trans-61.880.9159.1-73.2177.2170.700103.7M160 K164M160-M162 PolarHBondContact O-N 3.27Å; M162-K164 PolarHBondContact O-N 2.63Å
163K54.2Low76.8Confident150 Ų15080.3 Ų80.365%0.65239%0.389SS*.  trans-54104.9159.6-66.9-176.6-179.6-176.20100A161 E165A161-K163 HydrophobicContact CB-CG 4.33Å; A161-K163 PolarHBondContact O-N 2.87Å; K163-E165 PolarHBondContact O-N 3.01Å
164K54.9Low76.5Confident204 Ų20477.4 Ų77.489%0.88739%0.387SS*.  trans-56.990.8149.2-81.3-179.4175.8177.90101.1M162 P166M162-K164 PolarHBondContact O-N 2.63Å; K164-P166 VanDerWaalsContact O-N 3.14Å
165E56.5Low76.1Confident150 Ų15077.6 Ų77.670%0.70139%0.388SS*.  trans-47.3130.2177.9-83.4175.2162.500104.6K163 V167K163-E165 PolarHBondContact O-N 3.01Å; E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 3.12Å
166P57.4Low75.6Confident70 Ų7076.5 Ų76.546%0.45538%0.383SS..  trans-55.7107.318024.5-33.2000105.6K164 K168 E219K164-P166 VanDerWaalsContact O-N 3.14Å; P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 WeakPolarHBondContact O-CG 2.73Å; P166-K168 PolarHBondContact O-N 3.07Å; P166-E219 HydrophobicContact CB-CB 4.02Å; P166-E219 HydrophobicContact CB-CG 4.42Å; P166-E219 WeakPolarHBondContact CB-OE2 2.97Å
167V66.8Low75Confident50 Ų5078.5 Ų78.530%0.30340%0.396SS..  trans-71.394.2-170.1-98.40000105.2E165 K169 V222 I242E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 3.12Å; V167-K169 PolarHBondContact O-N 3.49Å; V167-V222 WeakPolarHBondContact O-CG1 3.47Å; V167-I242 HydrophobicContact CB-CG2 3.81Å; V167-I242 HydrophobicContact CG1-CG2 3.71Å; V167-I242 HydrophobicContact CG2-CB 4.27Å; V167-I242 HydrophobicContact CG2-CD1 4.02Å; V167-I242 HydrophobicContact CG2-CG1 3.93Å; V167-I242 HydrophobicContact CG2-CG2 3.49Å; V167-I242 VanDerWaalsContact CG2-CG2 3.49Å
168K81.4Confident74.5Confident96 Ų9679.4 Ų79.442%0.41741%0.406SS..  trans-66.1-14.7175.8-61.3-169.1179.5-160.50112P166 T215 Y216 K217P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 WeakPolarHBondContact O-CG 2.73Å; P166-K168 PolarHBondContact O-N 3.07Å; K168-T215 HydrophobicContact CB-CG2 4.33Å; K168-T215 WeakPolarHBondContact O-CA 3.35Å; K168-Y216 PolarHBondContact O-N 3.29Å; K168-K217 PolarHBondContact NZ-O 3.19Å
169K86.4Confident74.2Confident61 Ų6173.7 Ų73.727%0.26538%0.381SS..EExtended strand (participates in β ladder)trans-100.8125.2-178.9-163.8169.5-176.2164.20110.9V167 E198 F213 I214 A243V167-K169 PolarHBondContact O-N 3.49Å; K169-E198 IonicContact NZ-OE1 3.38Å; K169-E198 PolarHBondContact NZ-OE1 3.12Å; K169-E198 IonicContact NZ-OE2 2.62Å; K169-E198 PolarHBondContact NZ-OE2 2.67Å; K169-F213 HydrophobicContact CD-CB 4.44Å; K169-F213 HydrophobicContact CG-CB 4.34Å; K169-I214 CarbonylContact C-O 3.46Å; K169-I214 VanDerWaalsContact CA-O 3.3Å; K169-I214 WeakPolarHBondContact CA-O 3.48Å; K169-A243 HydrophobicContact CB-CB 3.84Å; K169-A243 HydrophobicContact CD-CB 4.24Å; K169-A243 HydrophobicContact CG-CB 3.63Å; K169-A243 WeakPolarHBondContact O-CB 3.27Å; K169-A243 PolarHBondContact O-N 3.1Å; K169-A243 VanDerWaalsContact O-N 3.07Å
170I88.4Confident74.4Confident0 Ų078 Ų780%040%0.399CS..EExtended strand (participates in β ladder)trans-107.2149.1171.860.5164.2000110.5V172 F188 F213 I214 Y216 V222 V225 I240I170-V172 HydrophobicContact CD1-CG2 3.82Å; I170-V172 HydrophobicContact CG1-CG2 4.29Å; I170-F188 HydrophobicContact CD1-CD1 4.31Å; I170-F188 HydrophobicContact CD1-CE1 4.35Å; I170-F213 VanDerWaalsContact O-CA 3.3Å; I170-F213 WeakPolarHBondContact O-CA 3.39Å; I170-I214 HydrophobicContact CD1-CB 4.13Å; I170-I214 HydrophobicContact CD1-CD1 4.31Å; I170-I214 HydrophobicContact CG1-CB 3.73Å; I170-I214 HydrophobicContact CG1-CG1 4.49Å; I170-I214 WeakPolarHBondContact CG1-O 3.48Å; I170-I214 PolarHBondContact N-O 2.88Å; I170-I214 PolarHBondContact O-N 3.44Å; I170-Y216 HydrophobicContact CD1-CE2 3.61Å; I170-Y216 HydrophobicContact CG1-CE2 3.88Å; I170-V222 HydrophobicContact CG2-CB 4.11Å; I170-V222 HydrophobicContact CG2-CG1 3.5Å; I170-V222 HydrophobicContact CG2-CG2 3.9Å; I170-V225 HydrophobicContact CD1-CG1 4.04Å; I170-I240 HydrophobicContact CB-CG2 4.19Å; I170-I240 HydrophobicContact CD1-CG2 4.2Å
171F88.4Confident75.2Confident48 Ų4875.4 Ų75.421%0.21138%0.383CS..EExtended strand (participates in β ladder)trans-101.9124.8168.6169.8-91.4000108.3F211 F213 I240 K241 A243F171-F211 HydrophobicContact CD2-CB 4.43Å; F171-F211 HydrophobicContact CD2-CD2 4.37Å; F171-F211 HydrophobicContact CE2-CB 3.52Å; F171-F211 HydrophobicContact CE2-CD1 4.27Å; F171-F211 AromaticContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CE2 4.48Å; F171-F211 AromaticContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CZ-CB 3.66Å; F171-F211 HydrophobicContact CZ-CG 4.07Å; F171-F213 HydrophobicContact CB-CD1 4.16Å; F171-F213 HydrophobicContact CB-CE1 4.02Å; F171-F213 HydrophobicContact CD2-CD1 4.17Å; F171-F213 AromaticContact CD2-CE1 3.59Å; F171-F213 HydrophobicContact CD2-CE1 3.59Å; F171-F213 AromaticContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CE2-CZ 4.36Å; F171-F213 HydrophobicContact CG-CE1 4.29Å; F171-I240 CarbonylContact O-C 3.46Å; F171-I240 WeakPolarHBondContact O-CA 3.27Å; F171-K241 HydrophobicContact CB-CB 4.42Å; F171-K241 HydrophobicContact CD1-CB 4.11Å; F171-K241 PolarHBondContact N-O 3.33Å; F171-K241 PolarHBondContact O-N 3.48Å; F171-A243 HydrophobicContact CB-CB 4.42Å
172V87.9Confident76.4Confident0 Ų080 Ų800%040%0.401CS..EExtended strand (participates in β ladder)trans-114.4107.4174.8-174.60000107.5I170 L175 F188 F211 V212 I214 C238 E239 I240I170-V172 HydrophobicContact CD1-CG2 3.82Å; I170-V172 HydrophobicContact CG1-CG2 4.29Å; V172-L175 HydrophobicContact CB-CD1 4.13Å; V172-L175 HydrophobicContact CG1-CD1 3.66Å; V172-L175 HydrophobicContact CG1-CG 4Å; V172-F188 HydrophobicContact CB-CZ 4.36Å; V172-F188 HydrophobicContact CG1-CE2 4.01Å; V172-F188 HydrophobicContact CG1-CZ 3.73Å; V172-F188 HydrophobicContact CG2-CE1 4.15Å; V172-F188 HydrophobicContact CG2-CE2 4.09Å; V172-F188 HydrophobicContact CG2-CZ 3.69Å; V172-F211 CarbonylContact O-C 3.54Å; V172-F211 WeakPolarHBondContact O-CA 3.48Å; V172-F211 WeakPolarHBondContact O-CB 3.36Å; V172-V212 PolarHBondContact N-O 3.38Å; V172-V212 PolarHBondContact O-N 3.16Å; V172-I214 HydrophobicContact CG2-CD1 4.07Å; V172-C238 HydrophobicContact CG1-CB 3.79Å; V172-E239 CarbonylContact C-O 3.57Å; V172-E239 WeakPolarHBondContact CA-O 3.46Å; V172-I240 HydrophobicContact CG1-CG1 4.39Å; V172-I240 HydrophobicContact CG2-CD1 4.44Å; V172-I240 HydrophobicContact CG2-CG1 4.31Å
173G87.4Confident77.8Confident7 Ų773.9 Ų73.97%0.07237%0.374CS..EExtended strand (participates in β ladder)trans-105.8159.6178.400000112.5G210 C238 E239G173-G210 CarbonylContact C-O 3.54Å; G173-C238 CarbonylContact O-C 3.59Å; G173-C238 WeakPolarHBondContact O-CA 3.37Å; G173-E239 PolarHBondContact N-O 2.96Å; G173-E239 PolarHBondContact O-N 3.34Å
174G83.3Confident79.3Confident44 Ų4466.8 Ų66.845%0.45434%0.343SS..SBendtrans79.722.2179.800000113.9G210G174-G210 PolarHBondContact N-O 2.73Å
175L83.4Confident80.8Confident9 Ų962 Ų625%0.04732%0.324CS..  trans-77.6147.3169-75.3161.9000109.7V172 T179 I184 G210 V212 V233 C238V172-L175 HydrophobicContact CB-CD1 4.13Å; V172-L175 HydrophobicContact CG1-CD1 3.66Å; V172-L175 HydrophobicContact CG1-CG 4Å; L175-T179 HydrophobicContact CD2-CG2 4.42Å; L175-I184 HydrophobicContact CD1-CD1 3.81Å; L175-I184 HydrophobicContact CD1-CG1 4.42Å; L175-I184 HydrophobicContact CD2-CD1 4.41Å; L175-I184 HydrophobicContact CD2-CG1 4.36Å; L175-G210 PolarHBondContact N-O 3.14Å; L175-G210 WeakPolarHBondContact O-CA 3.37Å; L175-V212 HydrophobicContact CD1-CB 3.8Å; L175-V212 HydrophobicContact CD1-CG2 3.56Å; L175-V233 HydrophobicContact CD2-CB 3.83Å; L175-V233 HydrophobicContact CD2-CG1 4.02Å; L175-V233 HydrophobicContact CD2-CG2 4.47Å; L175-C238 HydrophobicContact CD2-CB 4.5Å; L175-C238 WeakPolarHBondContact CD2-SG 3.44Å; L175-C238 HydrophobicContact CG-CB 4.5Å
176N79.8Confident82.4Confident63 Ų6362 Ų6234%0.33732%0.324SS..  trans-67.2144.2171.3-79.4-20.2000110D178 T179 S236N176-D178 PolarHBondContact O-N 3.36Å; N176-T179 WeakPolarHBondContact O-CB 3.42Å; N176-T179 PolarHBondContact O-N 3.43Å; N176-T179 VanDerWaalsContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 3.11Å; N176-S236 PolarHBondContact ND2-OG 3.06Å; N176-S236 PolarHBondContact OD1-OG 3.1Å
177P75.8Confident83.8Confident58 Ų5862.2 Ų62.238%0.37732%0.316SS..THydrogen-bonded Turntrans-63-24.4175.927.3-34.7000112.2T179 R208P177-T179 VanDerWaalsContact C-N 3.3Å; P177-R208 HydrophobicContact CB-CB 4.14Å; P177-R208 WeakPolarHBondContact O-CD 3.44Å; P177-R208 PolarHBondContact O-NH1 3.18Å
178D78.9Confident84.8Confident135 Ų13559.8 Ų59.872%0.72230%0.301SS*.THydrogen-bonded Turntrans-79.3-15.2178.6-54.7-36.1000112.5N176 E180N176-D178 PolarHBondContact O-N 3.36Å; D178-E180 PolarHBondContact O-N 3.35Å
179T80.3Confident85Confident4 Ų457 Ų573%0.02530%0.299CS..  trans-67.8120.7-179.9-54.20000110.5L175 N176 P177 V183 I184 R208 V233 S234L175-T179 HydrophobicContact CD2-CG2 4.42Å; N176-T179 WeakPolarHBondContact O-CB 3.42Å; N176-T179 PolarHBondContact O-N 3.43Å; N176-T179 VanDerWaalsContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 3.11Å; P177-T179 VanDerWaalsContact C-N 3.3Å; T179-V183 HydrophobicContact CG2-CB 4.25Å; T179-V183 HydrophobicContact CG2-CG1 4.37Å; T179-I184 HydrophobicContact CG2-CD1 4.06Å; T179-I184 HydrophobicContact CG2-CG1 3.76Å; T179-R208 PolarHBondContact O-NH1 3.48Å; T179-V233 HydrophobicContact CG2-CG1 4.33Å; T179-S234 WeakPolarHBondContact OG1-CB 3.44Å
180E83Confident85.1Confident104 Ų10459.1 Ų59.149%0.48632%0.318SS..  trans-80.5158.8179-60-165.2156.400112.6D178 E182 V183 I184D178-E180 PolarHBondContact O-N 3.35Å; E180-E182 PolarHBondContact O-N 2.95Å; E180-V183 PolarHBondContact O-N 2.89Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 3.37Å
181K84.8Confident84.9Confident121 Ų12161.1 Ų61.153%0.52633%0.326SS..Hα-helixtrans-56.7-31.317868.6178.7-177.3177.40112.5I184 Q185 L199K181-I184 PolarHBondContact O-N 3.15Å; K181-Q185 VanDerWaalsContact O-CB 3.27Å; K181-Q185 WeakPolarHBondContact O-CB 3.17Å; K181-Q185 PolarHBondContact O-N 2.67Å; K181-L199 HydrophobicContact CB-CD1 4Å
182E87.4Confident84.8Confident120 Ų12059.9 Ų59.956%0.56133%0.327SS*.Hα-helixtrans-68.8-46.3-174.4-62.8-178.4-177.700110.9E180 I184 Q185 E186E180-E182 PolarHBondContact O-N 2.95Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.46Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; E182-E186 WeakPolarHBondContact O-CB 3.48Å; E182-E186 PolarHBondContact O-N 3.38Å
183V86.9Confident84.8Confident58 Ų5865.3 Ų65.335%0.35235%0.352SS..Hα-helixtrans-61.2-39.7175.5-177.40000111.2T179 E180 Y187 V233T179-V183 HydrophobicContact CG2-CB 4.25Å; T179-V183 HydrophobicContact CG2-CG1 4.37Å; E180-V183 PolarHBondContact O-N 2.89Å; V183-Y187 WeakPolarHBondContact O-CB 3.22Å; V183-Y187 PolarHBondContact O-N 3.35Å; V183-V233 HydrophobicContact CG1-CG1 4.17Å
184I85.3Confident84.9Confident1 Ų166.3 Ų66.31%0.00536%0.356CS..Hα-helixtrans-66.8-45.7176.9-63.1171.5000109.5L175 T179 E180 K181 E182 Y187 F188 L199 V212 I214L175-I184 HydrophobicContact CD1-CD1 3.81Å; L175-I184 HydrophobicContact CD1-CG1 4.42Å; L175-I184 HydrophobicContact CD2-CD1 4.41Å; L175-I184 HydrophobicContact CD2-CG1 4.36Å; T179-I184 HydrophobicContact CG2-CD1 4.06Å; T179-I184 HydrophobicContact CG2-CG1 3.76Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 3.37Å; K181-I184 PolarHBondContact O-N 3.15Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.46Å; I184-Y187 PolarHBondContact O-N 3.38Å; I184-F188 HydrophobicContact CB-CD2 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.55Å; I184-F188 HydrophobicContact CG2-CE2 3.99Å; I184-F188 VanDerWaalsContact O-CB 3.28Å; I184-F188 WeakPolarHBondContact O-CB 3.44Å; I184-F188 VanDerWaalsContact O-CD2 3.25Å; I184-F188 WeakPolarHBondContact O-CD2 3.34Å; I184-F188 PolarHBondContact O-N 3.11Å; I184-L199 HydrophobicContact CD1-CD2 4.28Å; I184-V212 HydrophobicContact CD1-CB 4.49Å; I184-V212 HydrophobicContact CD1-CG2 3.76Å; I184-V212 HydrophobicContact CG2-CG1 4.35Å; I184-I214 HydrophobicContact CG2-CD1 3.71Å; I184-I214 HydrophobicContact CG2-CG1 4.49Å
185Q88.1Confident85.1Confident103 Ų10369.6 Ų69.648%0.48136%0.359SS..Hα-helixtrans-64-41.1179-174.8174.6-6.100112.1K181 E182 G189 I194 I197K181-Q185 VanDerWaalsContact O-CB 3.27Å; K181-Q185 WeakPolarHBondContact O-CB 3.17Å; K181-Q185 PolarHBondContact O-N 2.67Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; Q185-G189 WeakPolarHBondContact O-CA 3.37Å; Q185-G189 PolarHBondContact O-N 3.22Å; Q185-I194 HydrophobicContact CG-CD1 4.22Å; Q185-I197 HydrophobicContact CB-CD1 3.62Å; Q185-I197 HydrophobicContact CG-CD1 4Å
186E88.6Confident85.2Confident151 Ų15172.3 Ų72.371%0.70638%0.376SS*.Hα-helixtrans-63.2-50.5176.9-174179.3-174.300110.4E182 T190E182-E186 WeakPolarHBondContact O-CB 3.48Å; E182-E186 PolarHBondContact O-N 3.38Å; E186-T190 WeakPolarHBondContact O-CG2 3.25Å; E186-T190 PolarHBondContact O-N 2.81Å
187Y88.2Confident85.5Confident73 Ų7371.1 Ų71.129%0.28637%0.37SS..Hα-helixtrans-64.6-50.8-179.7-175.1-95.9000112.4V183 I184 G189 T190 F191 H231 V233V183-Y187 WeakPolarHBondContact O-CB 3.22Å; V183-Y187 PolarHBondContact O-N 3.35Å; I184-Y187 PolarHBondContact O-N 3.38Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; Y187-T190 PolarHBondContact O-N 2.71Å; Y187-T190 PolarHBondContact O-OG1 3.34Å; Y187-F191 HydrophobicContact CD1-CE2 4.09Å; Y187-F191 AromaticContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CZ 4.26Å; Y187-F191 WeakPolarHBondContact O-CD2 3.5Å; Y187-F191 WeakPolarHBondContact O-CE2 3.26Å; Y187-H231 HydrophobicContact CE1-CB 3.98Å; Y187-H231 AromaticContact CE1-ND1 3.44Å; Y187-H231 WeakPolarHBondContact CE1-ND1 3.1Å; Y187-H231 AromaticContact CZ-ND1 3.64Å; Y187-H231 PolarHBondContact OH-ND1 3.33Å; Y187-V233 HydrophobicContact CD1-CG2 3.55Å; Y187-V233 HydrophobicContact CE1-CG2 3.77Å; Y187-V233 HydrophobicContact CG-CG2 3.96Å
188F86.4Confident86Confident0 Ų072.2 Ų72.20%037%0.37CS..Hα-helixtrans-75.6-24.9-178.2-75.1-70.5000112.9I170 V172 I184 T190 F191 I194 I214 Y216 V225 V233 I240I170-F188 HydrophobicContact CD1-CD1 4.31Å; I170-F188 HydrophobicContact CD1-CE1 4.35Å; V172-F188 HydrophobicContact CB-CZ 4.36Å; V172-F188 HydrophobicContact CG1-CE2 4.01Å; V172-F188 HydrophobicContact CG1-CZ 3.73Å; V172-F188 HydrophobicContact CG2-CE1 4.15Å; V172-F188 HydrophobicContact CG2-CE2 4.09Å; V172-F188 HydrophobicContact CG2-CZ 3.69Å; I184-F188 HydrophobicContact CB-CD2 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.55Å; I184-F188 HydrophobicContact CG2-CE2 3.99Å; I184-F188 VanDerWaalsContact O-CB 3.28Å; I184-F188 WeakPolarHBondContact O-CB 3.44Å; I184-F188 VanDerWaalsContact O-CD2 3.25Å; I184-F188 WeakPolarHBondContact O-CD2 3.34Å; I184-F188 PolarHBondContact O-N 3.11Å; F188-T190 PolarHBondContact O-N 2.71Å; F188-F191 HydrophobicContact CD1-CD2 4.47Å; F188-F191 PolarHBondContact O-N 3.02Å; F188-F191 VanDerWaalsContact O-N 3.11Å; F188-I194 HydrophobicContact CB-CD1 3.83Å; F188-I214 HydrophobicContact CB-CD1 3.73Å; F188-I214 HydrophobicContact CD1-CD1 4.08Å; F188-I214 HydrophobicContact CD2-CD1 3.32Å; F188-I214 HydrophobicContact CE2-CD1 3.91Å; F188-I214 HydrophobicContact CG-CD1 3.41Å; F188-I214 VanDerWaalsContact CG-CD1 3.41Å; F188-Y216 WeakPolarHBondContact CB-OH 3.34Å; F188-Y216 WeakPolarHBondContact CD1-OH 3.42Å; F188-Y216 PolarHBondContact O-OH 3.25Å; F188-V225 HydrophobicContact CD1-CG1 4.34Å; F188-V225 HydrophobicContact CE1-CG1 3.96Å; F188-V233 HydrophobicContact CE2-CG2 4.15Å; F188-V233 HydrophobicContact CZ-CG2 4.39Å; F188-I240 HydrophobicContact CE1-CD1 3.52Å; F188-I240 HydrophobicContact CZ-CD1 3.85Å
189G85.4Confident86.3Confident36 Ų3668.1 Ų68.137%0.37135%0.348SS..Hα-helixtrans-65.1-26.417300000112.7Q185 Y187 F191 G192Q185-G189 WeakPolarHBondContact O-CA 3.37Å; Q185-G189 PolarHBondContact O-N 3.22Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; G189-F191 PolarHBondContact O-N 2.97Å; G189-G192 WeakPolarHBondContact CA-O 3.5Å; G189-G192 PolarHBondContact O-N 2.62Å
190T88.4Confident86.2Confident107 Ų10769.9 Ų69.966%0.65636%0.359SS*.THydrogen-bonded Turntrans-62.8-24.7172.368.90000113.4E186 Y187 F188E186-T190 WeakPolarHBondContact O-CG2 3.25Å; E186-T190 PolarHBondContact O-N 2.81Å; Y187-T190 PolarHBondContact O-N 2.71Å; Y187-T190 PolarHBondContact O-OG1 3.34Å; F188-T190 PolarHBondContact O-N 2.71Å
191F84.9Confident86.1Confident41 Ų4169.8 Ų69.818%0.1836%0.359CS..THydrogen-bonded Turntrans-87.8-26.4-178.9-63.2-88.2000112.5Y187 F188 G189 P221 V225 H231Y187-F191 HydrophobicContact CD1-CE2 4.09Å; Y187-F191 AromaticContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CZ 4.26Å; Y187-F191 WeakPolarHBondContact O-CD2 3.5Å; Y187-F191 WeakPolarHBondContact O-CE2 3.26Å; F188-F191 HydrophobicContact CD1-CD2 4.47Å; F188-F191 PolarHBondContact O-N 3.02Å; F188-F191 VanDerWaalsContact O-N 3.11Å; G189-F191 PolarHBondContact O-N 2.97Å; F191-P221 HydrophobicContact CB-CB 4.36Å; F191-P221 WeakPolarHBondContact O-CB 3.46Å; F191-V225 HydrophobicContact CB-CG2 3.54Å; F191-V225 HydrophobicContact CD1-CG2 3.7Å; F191-V225 HydrophobicContact CD2-CG2 3.96Å; F191-V225 HydrophobicContact CE1-CG2 4.4Å; F191-V225 HydrophobicContact CG-CG2 3.45Å; F191-V225 VanDerWaalsContact CG-CG2 3.45Å; F191-H231 AromaticContact CZ-CE1 3.62Å; F191-H231 AromaticContact CZ-ND1 3.91Å
192G86.1Confident85.6Confident22 Ų2266.2 Ų66.223%0.22735%0.345CS..SBendtrans167.1178.8173.900000113.2G189 I194G189-G192 WeakPolarHBondContact CA-O 3.5Å; G189-G192 PolarHBondContact O-N 2.62Å; G192-I194 PolarHBondContact O-N 3.38Å
193E88.6Confident84.8Confident114 Ų11466.5 Ų66.553%0.53336%0.358SS..  trans-74.3118.7-173.4-162.9178.4178.800112.1Y216 K217E193-Y216 WeakPolarHBondContact O-CA 3.27Å; E193-Y216 WeakPolarHBondContact O-CD1 3.45Å; E193-K217 HydrophobicContact CB-CD 4.4Å; E193-K217 VanDerWaalsContact CD-CE 3.49Å; E193-K217 HydrophobicContact CG-CD 4Å; E193-K217 PolarHBondContact O-N 2.78Å; E193-K217 VanDerWaalsContact OE1-CE 3.27Å; E193-K217 WeakPolarHBondContact OE1-CE 3.39Å; E193-K217 IonicContact OE1-NZ 2.72Å; E193-K217 PolarHBondContact OE1-NZ 3Å; E193-K217 WeakPolarHBondContact OE2-CD 3.47Å; E193-K217 IonicContact OE2-NZ 2.7Å; E193-K217 PolarHBondContact OE2-NZ 3.01Å
194I89.1Confident84.1Confident28 Ų2872.9 Ų72.914%0.14438%0.381CS..EExtended strand (participates in β ladder)trans-85129.8-179.9-60.3168.6000109.4Q185 F188 G192 I197 I214 Y216Q185-I194 HydrophobicContact CG-CD1 4.22Å; F188-I194 HydrophobicContact CB-CD1 3.83Å; G192-I194 PolarHBondContact O-N 3.38Å; I194-I197 HydrophobicContact CD1-CD1 4.21Å; I194-I197 HydrophobicContact CG2-CD1 4.09Å; I194-I197 HydrophobicContact CG2-CG1 3.55Å; I194-I214 HydrophobicContact CB-CG2 4.37Å; I194-I214 HydrophobicContact CD1-CG2 4.11Å; I194-I214 HydrophobicContact CG1-CG2 3.89Å; I194-I214 HydrophobicContact CG2-CG2 3.64Å; I194-Y216 HydrophobicContact CD1-CE1 4.49Å; I194-Y216 HydrophobicContact CG1-CD1 3.9Å; I194-Y216 HydrophobicContact CG1-CE1 3.6Å
195E88.4Confident83.4Confident113 Ų11376.7 Ų76.753%0.52841%0.405SS..EExtended strand (participates in β ladder)trans-87.1-45174.5-173.6178.3-166.100111.6T215 K217E195-T215 WeakPolarHBondContact CA-O 3.3Å; E195-T215 HydrophobicContact CB-CG2 4.43Å; E195-T215 WeakPolarHBondContact CB-O 3.42Å; E195-T215 PolarHBondContact N-O 3.12Å; E195-K217 HydrophobicContact CB-CG 3.99Å
196T84.8Confident82.3Confident66 Ų6679.5 Ų79.541%0.40542%0.417SS..EExtended strand (participates in β ladder)trans-153.1141.6-177.3-58.40000111.4E198 T215T196-E198 HydrophobicContact CG2-CG 4.31Å; T196-T215 PolarHBondContact N-O 2.75Å; T196-T215 VanDerWaalsContact N-O 3.12Å; T196-T215 PolarHBondContact O-N 2.76Å
197I86.6Confident81.4Confident39 Ų3979.5 Ų79.520%0.242%0.415CS..EExtended strand (participates in β ladder)trans-119.5118.2174-52.7177.5000108.5Q185 I194 L199 V212 F213 I214Q185-I197 HydrophobicContact CB-CD1 3.62Å; Q185-I197 HydrophobicContact CG-CD1 4Å; I194-I197 HydrophobicContact CD1-CD1 4.21Å; I194-I197 HydrophobicContact CG2-CD1 4.09Å; I194-I197 HydrophobicContact CG2-CG1 3.55Å; I197-L199 HydrophobicContact CB-CD1 4.46Å; I197-L199 HydrophobicContact CG2-CD1 3.59Å; I197-L199 HydrophobicContact CG2-CG 4.46Å; I197-V212 HydrophobicContact CG2-CG1 3.45Å; I197-V212 VanDerWaalsContact CG2-CG1 3.45Å; I197-F213 CarbonylContact C-O 3.56Å; I197-F213 WeakPolarHBondContact CA-O 3.43Å; I197-I214 HydrophobicContact CG2-CG1 4.36Å
198E85.2Confident80.5Confident81 Ų8180 Ų8038%0.37942%0.417SS..EExtended strand (participates in β ladder)trans-106.8124.3175.4-66.1167.7-146.900109.6K169 T196 P200 V212 F213K169-E198 IonicContact NZ-OE1 3.38Å; K169-E198 PolarHBondContact NZ-OE1 3.12Å; K169-E198 IonicContact NZ-OE2 2.62Å; K169-E198 PolarHBondContact NZ-OE2 2.67Å; T196-E198 HydrophobicContact CG2-CG 4.31Å; E198-P200 VanDerWaalsContact O-CD 3.27Å; E198-P200 WeakPolarHBondContact O-CD 3.31Å; E198-V212 WeakPolarHBondContact O-CG1 3.28Å; E198-F213 HydrophobicContact CB-CB 4.25Å; E198-F213 PolarHBondContact N-O 2.81Å; E198-F213 PolarHBondContact O-N 2.84Å
199L84.9Confident79.6Confident48 Ų4886.6 Ų86.625%0.25144%0.441SS..  trans-113.985.7175.5-64.788.8000109.9K181 I184 I197 Q201 V212K181-L199 HydrophobicContact CB-CD1 4Å; I184-L199 HydrophobicContact CD1-CD2 4.28Å; I197-L199 HydrophobicContact CB-CD1 4.46Å; I197-L199 HydrophobicContact CG2-CD1 3.59Å; I197-L199 HydrophobicContact CG2-CG 4.46Å; L199-Q201 PolarHBondContact O-N 3.48Å; L199-V212 HydrophobicContact CB-CG2 4.36Å; L199-V212 HydrophobicContact CD1-CG1 4.44Å; L199-V212 HydrophobicContact CD2-CG2 3.78Å; L199-V212 HydrophobicContact CG-CB 4.43Å; L199-V212 HydrophobicContact CG-CG1 4.07Å; L199-V212 HydrophobicContact CG-CG2 3.61Å
200P79.8Confident79.2Confident42 Ų4285.7 Ų85.727%0.27343%0.432SS..PPolyproline II helixtrans-62.7123.2176.9-2638000111.7E198 R209 F211 F213E198-P200 VanDerWaalsContact O-CD 3.27Å; E198-P200 WeakPolarHBondContact O-CD 3.31Å; P200-R209 PolarHBondContact O-N 3.07Å; P200-F211 HydrophobicContact CB-CE2 3.85Å; P200-F211 HydrophobicContact CB-CZ 4.26Å; P200-F211 HydrophobicContact CG-CE2 3.82Å; P200-F213 HydrophobicContact CG-CD2 3.95Å; P200-F213 HydrophobicContact CG-CE2 3.99Å
201Q79.9Confident79.1Confident102 Ų10282.4 Ų82.448%0.47741%0.409SS..BIsolated β-bridgetrans-92.6151.2172-59.2-179.42.700109.6L199 P203 R208L199-Q201 PolarHBondContact O-N 3.48Å; Q201-P203 WeakPolarHBondContact O-CD 3.11Å; Q201-R208 HydrophobicContact CG-CG 4.31Å
202D75Confident79.2Confident45 Ų4580.7 Ų80.724%0.24140%0.402CS..PPolyproline II helixtrans-73.2120.7176.8-162.2-46.7000109K204 T205 E206 K207 R209D202-K204 PolarHBondContact O-N 2.96Å; D202-K204 VanDerWaalsContact O-N 3.07Å; D202-K204 PolarHBondContact OD1-N 2.87Å; D202-T205 WeakPolarHBondContact CB-OG1 3.33Å; D202-T205 PolarHBondContact O-N 2.73Å; D202-E206 WeakPolarHBondContact O-CA 3.44Å; D202-E206 PolarHBondContact O-N 2.92Å; D202-K207 PolarHBondContact N-O 3.29Å; D202-R209 HydrophobicContact CB-CG 3.79Å
203P70Confident79.3Confident127 Ų12781.7 Ų81.783%0.82540%0.4SS*.THydrogen-bonded Turntrans-64.3-15.3-178.526.6-35.4000113.4Q201Q201-P203 WeakPolarHBondContact O-CD 3.11Å
204K71.6Confident79.3Confident191 Ų19176.3 Ų76.383%0.8338%0.375SS*.THydrogen-bonded Turntrans-94.2-28.4-178.6-64.7-175.8179.2-176.60114.2D202D202-K204 PolarHBondContact O-N 2.96Å; D202-K204 VanDerWaalsContact O-N 3.07Å; D202-K204 PolarHBondContact OD1-N 2.87Å
205T71.6Confident79.3Confident82 Ų8276 Ų7650%0.50338%0.375SS..THydrogen-bonded Turntrans-119.3-5.1-174.361.70000112.8D202 K207D202-T205 WeakPolarHBondContact CB-OG1 3.33Å; D202-T205 PolarHBondContact O-N 2.73Å; T205-K207 WeakPolarHBondContact O-CG 3.4Å; T205-K207 PolarHBondContact O-N 2.8Å
206E64.6Low79.4Confident161 Ų16170.7 Ų70.775%0.75235%0.35SS*.  trans53.66.1-173.8-151.1169.2-158.900113.7D202D202-E206 WeakPolarHBondContact O-CA 3.44Å; D202-E206 PolarHBondContact O-N 2.92Å
207K69.3Low79.5Confident151 Ų15171.8 Ų71.866%0.65735%0.349SS*.SBendtrans-82.1138.9175.8-70.9179.6-179.3-173.20108.8D202 T205 R209D202-K207 PolarHBondContact N-O 3.29Å; T205-K207 WeakPolarHBondContact O-CG 3.4Å; T205-K207 PolarHBondContact O-N 2.8Å; K207-R209 PolarHBondContact O-N 3.19Å
208R69.1Low79.4Confident85 Ų8574.2 Ų74.232%0.32136%0.362SS..BIsolated β-bridgetrans-59.1134.3175-52.7-161.4-173.2138.2-10.9108.8P177 T179 Q201 G210P177-R208 HydrophobicContact CB-CB 4.14Å; P177-R208 WeakPolarHBondContact O-CD 3.44Å; P177-R208 PolarHBondContact O-NH1 3.18Å; T179-R208 PolarHBondContact O-NH1 3.48Å; Q201-R208 HydrophobicContact CG-CG 4.31Å; R208-G210 PolarHBondContact O-N 3.45Å
209R68.1Low79.3Confident137 Ų13773.9 Ų73.952%0.51736%0.361SS..  trans-73.915.7-173.1-64.3-173.677.5-167.4-0.5114.7P200 D202 K207 F211P200-R209 PolarHBondContact O-N 3.07Å; D202-R209 HydrophobicContact CB-CG 3.79Å; K207-R209 PolarHBondContact O-N 3.19Å; R209-F211 HydrophobicContact CB-CD1 3.53Å; R209-F211 HydrophobicContact CB-CE1 3.16Å; R209-F211 HydrophobicContact CB-CE2 4.46Å; R209-F211 HydrophobicContact CB-CG 4.34Å; R209-F211 HydrophobicContact CB-CZ 3.69Å; R209-F211 HydrophobicContact CG-CE1 4.02Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-F211 WeakPolarHBondContact O-CD1 3.43Å; R209-F211 PolarHBondContact O-N 3.06Å; R209-F211 VanDerWaalsContact O-N 3.1Å
210G77.9Confident79.3Confident18 Ų1875.2 Ų75.219%0.18637%0.371CS..SBendtrans5920.5-177.700000113.6G173 G174 L175 R208G173-G210 CarbonylContact C-O 3.54Å; G174-G210 PolarHBondContact N-O 2.73Å; L175-G210 PolarHBondContact N-O 3.14Å; L175-G210 WeakPolarHBondContact O-CA 3.37Å; R208-G210 PolarHBondContact O-N 3.45Å
211F85.4Confident79.6Confident38 Ų3873.3 Ų73.317%0.16736%0.358CS..EExtended strand (participates in β ladder)trans-142.4153.1174.466.3-105.3000111.5F171 V172 P200 R209 F213F171-F211 HydrophobicContact CD2-CB 4.43Å; F171-F211 HydrophobicContact CD2-CD2 4.37Å; F171-F211 HydrophobicContact CE2-CB 3.52Å; F171-F211 HydrophobicContact CE2-CD1 4.27Å; F171-F211 AromaticContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CE2 4.48Å; F171-F211 AromaticContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CZ-CB 3.66Å; F171-F211 HydrophobicContact CZ-CG 4.07Å; V172-F211 CarbonylContact O-C 3.54Å; V172-F211 WeakPolarHBondContact O-CA 3.48Å; V172-F211 WeakPolarHBondContact O-CB 3.36Å; P200-F211 HydrophobicContact CB-CE2 3.85Å; P200-F211 HydrophobicContact CB-CZ 4.26Å; P200-F211 HydrophobicContact CG-CE2 3.82Å; R209-F211 HydrophobicContact CB-CD1 3.53Å; R209-F211 HydrophobicContact CB-CE1 3.16Å; R209-F211 HydrophobicContact CB-CE2 4.46Å; R209-F211 HydrophobicContact CB-CG 4.34Å; R209-F211 HydrophobicContact CB-CZ 3.69Å; R209-F211 HydrophobicContact CG-CE1 4.02Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-F211 WeakPolarHBondContact O-CD1 3.43Å; R209-F211 PolarHBondContact O-N 3.06Å; R209-F211 VanDerWaalsContact O-N 3.1Å; F211-F213 HydrophobicContact CD2-CD2 4.47Å; F211-F213 AromaticContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CE2-CD2 4.46Å; F211-F213 AromaticContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CZ 4.37Å
212V86.9Confident79.8Confident5 Ų568.6 Ų68.63%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-137.7145.1-176.8174.70000109.2V172 L175 I184 I197 E198 L199 I214V172-V212 PolarHBondContact N-O 3.38Å; V172-V212 PolarHBondContact O-N 3.16Å; L175-V212 HydrophobicContact CD1-CB 3.8Å; L175-V212 HydrophobicContact CD1-CG2 3.56Å; I184-V212 HydrophobicContact CD1-CB 4.49Å; I184-V212 HydrophobicContact CD1-CG2 3.76Å; I184-V212 HydrophobicContact CG2-CG1 4.35Å; I197-V212 HydrophobicContact CG2-CG1 3.45Å; I197-V212 VanDerWaalsContact CG2-CG1 3.45Å; E198-V212 WeakPolarHBondContact O-CG1 3.28Å; L199-V212 HydrophobicContact CB-CG2 4.36Å; L199-V212 HydrophobicContact CD1-CG1 4.44Å; L199-V212 HydrophobicContact CD2-CG2 3.78Å; L199-V212 HydrophobicContact CG-CB 4.43Å; L199-V212 HydrophobicContact CG-CG1 4.07Å; L199-V212 HydrophobicContact CG-CG2 3.61Å; V212-I214 HydrophobicContact CG1-CG1 3.99Å
213F89.1Confident80.2Confident43 Ų4372.2 Ų72.219%0.18935%0.35CS..EExtended strand (participates in β ladder)trans-106.3132.1167.9-62.1-86.7000110.1K169 I170 F171 I197 E198 P200 F211 A243K169-F213 HydrophobicContact CD-CB 4.44Å; K169-F213 HydrophobicContact CG-CB 4.34Å; I170-F213 VanDerWaalsContact O-CA 3.3Å; I170-F213 WeakPolarHBondContact O-CA 3.39Å; F171-F213 HydrophobicContact CB-CD1 4.16Å; F171-F213 HydrophobicContact CB-CE1 4.02Å; F171-F213 HydrophobicContact CD2-CD1 4.17Å; F171-F213 AromaticContact CD2-CE1 3.59Å; F171-F213 HydrophobicContact CD2-CE1 3.59Å; F171-F213 AromaticContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CE2-CZ 4.36Å; F171-F213 HydrophobicContact CG-CE1 4.29Å; I197-F213 CarbonylContact C-O 3.56Å; I197-F213 WeakPolarHBondContact CA-O 3.43Å; E198-F213 HydrophobicContact CB-CB 4.25Å; E198-F213 PolarHBondContact N-O 2.81Å; E198-F213 PolarHBondContact O-N 2.84Å; P200-F213 HydrophobicContact CG-CD2 3.95Å; P200-F213 HydrophobicContact CG-CE2 3.99Å; F211-F213 HydrophobicContact CD2-CD2 4.47Å; F211-F213 AromaticContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CE2-CD2 4.46Å; F211-F213 AromaticContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CZ 4.37Å; F213-A243 HydrophobicContact CD1-CB 3.87Å; F213-A243 HydrophobicContact CE1-CB 4.11Å
214I88.6Confident80.9Confident0 Ų072 Ų720%034%0.337CS..EExtended strand (participates in β ladder)trans-121123.9178.6-54.7177.3000107.4K169 I170 V172 I184 F188 I194 I197 V212 Y216K169-I214 CarbonylContact C-O 3.46Å; K169-I214 VanDerWaalsContact CA-O 3.3Å; K169-I214 WeakPolarHBondContact CA-O 3.48Å; I170-I214 HydrophobicContact CD1-CB 4.13Å; I170-I214 HydrophobicContact CD1-CD1 4.31Å; I170-I214 HydrophobicContact CG1-CB 3.73Å; I170-I214 HydrophobicContact CG1-CG1 4.49Å; I170-I214 WeakPolarHBondContact CG1-O 3.48Å; I170-I214 PolarHBondContact N-O 2.88Å; I170-I214 PolarHBondContact O-N 3.44Å; V172-I214 HydrophobicContact CG2-CD1 4.07Å; I184-I214 HydrophobicContact CG2-CD1 3.71Å; I184-I214 HydrophobicContact CG2-CG1 4.49Å; F188-I214 HydrophobicContact CB-CD1 3.73Å; F188-I214 HydrophobicContact CD1-CD1 4.08Å; F188-I214 HydrophobicContact CD2-CD1 3.32Å; F188-I214 HydrophobicContact CE2-CD1 3.91Å; F188-I214 HydrophobicContact CG-CD1 3.41Å; F188-I214 VanDerWaalsContact CG-CD1 3.41Å; I194-I214 HydrophobicContact CB-CG2 4.37Å; I194-I214 HydrophobicContact CD1-CG2 4.11Å; I194-I214 HydrophobicContact CG1-CG2 3.89Å; I194-I214 HydrophobicContact CG2-CG2 3.64Å; I197-I214 HydrophobicContact CG2-CG1 4.36Å; V212-I214 HydrophobicContact CG1-CG1 3.99Å; I214-Y216 HydrophobicContact CG2-CD2 4.26Å; I214-Y216 HydrophobicContact CG2-CE1 4.46Å; I214-Y216 HydrophobicContact CG2-CE2 3.91Å
215T88.3Confident81.5Confident23 Ų2362.9 Ų62.914%0.14130%0.297CS..EExtended strand (participates in β ladder)trans-101.4122.3171.5-53.30000108K168 E195 T196K168-T215 HydrophobicContact CB-CG2 4.33Å; K168-T215 WeakPolarHBondContact O-CA 3.35Å; E195-T215 WeakPolarHBondContact CA-O 3.3Å; E195-T215 HydrophobicContact CB-CG2 4.43Å; E195-T215 WeakPolarHBondContact CB-O 3.42Å; E195-T215 PolarHBondContact N-O 3.12Å; T196-T215 PolarHBondContact N-O 2.75Å; T196-T215 VanDerWaalsContact N-O 3.12Å; T196-T215 PolarHBondContact O-N 2.76Å
216Y90.1Very high82.1Confident0 Ų061.4 Ų61.40%029%0.286CS..EExtended strand (participates in β ladder)trans-94.1155.9173.3-68.5-87.1000111.1K168 I170 F188 E193 I194 I214 D218 P221 V222K168-Y216 PolarHBondContact O-N 3.29Å; I170-Y216 HydrophobicContact CD1-CE2 3.61Å; I170-Y216 HydrophobicContact CG1-CE2 3.88Å; F188-Y216 WeakPolarHBondContact CB-OH 3.34Å; F188-Y216 WeakPolarHBondContact CD1-OH 3.42Å; F188-Y216 PolarHBondContact O-OH 3.25Å; E193-Y216 WeakPolarHBondContact O-CA 3.27Å; E193-Y216 WeakPolarHBondContact O-CD1 3.45Å; I194-Y216 HydrophobicContact CD1-CE1 4.49Å; I194-Y216 HydrophobicContact CG1-CD1 3.9Å; I194-Y216 HydrophobicContact CG1-CE1 3.6Å; I214-Y216 HydrophobicContact CG2-CD2 4.26Å; I214-Y216 HydrophobicContact CG2-CE1 4.46Å; I214-Y216 HydrophobicContact CG2-CE2 3.91Å; Y216-D218 VanDerWaalsContact C-N 3.29Å; Y216-D218 VanDerWaalsContact CB-O 3.26Å; Y216-D218 WeakPolarHBondContact CB-O 3.16Å; Y216-P221 HydrophobicContact CD1-CB 3.56Å; Y216-P221 HydrophobicContact CD1-CG 3.39Å; Y216-P221 HydrophobicContact CD2-CB 4.28Å; Y216-P221 HydrophobicContact CD2-CG 4.11Å; Y216-P221 HydrophobicContact CE1-CB 3.63Å; Y216-P221 HydrophobicContact CE1-CG 4.02Å; Y216-P221 HydrophobicContact CE2-CB 4.32Å; Y216-P221 HydrophobicContact CG-CB 3.9Å; Y216-P221 HydrophobicContact CG-CG 3.43Å; Y216-P221 VanDerWaalsContact CG-CG 3.43Å; Y216-V222 HydrophobicContact CD2-CG2 3.59Å; Y216-V222 HydrophobicContact CE2-CG2 4.25Å; Y216-V222 HydrophobicContact CG-CG2 4.34Å
217K86.9Confident83Confident89 Ų8961.5 Ų61.539%0.38729%0.286SS..SBendtrans-64.3-39.7170.6-66.9-169.5-178.1177.20111.5K168 E193 E195K168-K217 PolarHBondContact NZ-O 3.19Å; E193-K217 HydrophobicContact CB-CD 4.4Å; E193-K217 VanDerWaalsContact CD-CE 3.49Å; E193-K217 HydrophobicContact CG-CD 4Å; E193-K217 PolarHBondContact O-N 2.78Å; E193-K217 VanDerWaalsContact OE1-CE 3.27Å; E193-K217 WeakPolarHBondContact OE1-CE 3.39Å; E193-K217 IonicContact OE1-NZ 2.72Å; E193-K217 PolarHBondContact OE1-NZ 3Å; E193-K217 WeakPolarHBondContact OE2-CD 3.47Å; E193-K217 IonicContact OE2-NZ 2.7Å; E193-K217 PolarHBondContact OE2-NZ 3.01Å; E195-K217 HydrophobicContact CB-CG 3.99Å
218D85.2Confident83.5Confident91 Ų9160.3 Ų60.349%0.48728%0.281SS..SBendtrans-113.1157-176.4-65.5-44.9000113.4Y216 P221Y216-D218 VanDerWaalsContact C-N 3.29Å; Y216-D218 VanDerWaalsContact CB-O 3.26Å; Y216-D218 WeakPolarHBondContact CB-O 3.16Å; D218-P221 HydrophobicContact CB-CG 4.5Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; D218-P221 VanDerWaalsContact O-CG 3.25Å; D218-P221 WeakPolarHBondContact O-CG 3.42Å
219E83.3Confident83.7Confident73 Ų7363.8 Ų63.834%0.34130%0.298SS..Hα-helixtrans-82.6-15.8173.755.3151.6-146.300113.9P166 V222 K223P166-E219 HydrophobicContact CB-CB 4.02Å; P166-E219 HydrophobicContact CB-CG 4.42Å; P166-E219 WeakPolarHBondContact CB-OE2 2.97Å; E219-V222 WeakPolarHBondContact O-CB 3.48Å; E219-V222 PolarHBondContact O-N 3.07Å; E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact O-N 3.15Å; E219-K223 IonicContact OE1-NZ 2.67Å; E219-K223 PolarHBondContact OE1-NZ 3.08Å; E219-K223 WeakPolarHBondContact OE2-CE 3.25Å; E219-K223 IonicContact OE2-NZ 2.91Å; E219-K223 PolarHBondContact OE2-NZ 3.44Å; E219-K223 VanDerWaalsContact OE2-NZ 3.07Å
220T84.9Confident84.5Confident76 Ų7662.6 Ų62.647%0.46630%0.297SS..Hα-helixtrans-61.2-45.1179.558.70000113V222 K223 K224T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 3.32Å; T220-K223 PolarHBondContact O-N 3.18Å; T220-K224 WeakPolarHBondContact O-CG 3.41Å; T220-K224 PolarHBondContact O-N 2.82Å
221P85.3Confident84.7Confident2 Ų262 Ų621%0.01329%0.289CS..Hα-helixtrans-62.2-39.8173.221.5-33.7000112.4F191 Y216 D218 K223 K224 V225F191-P221 HydrophobicContact CB-CB 4.36Å; F191-P221 WeakPolarHBondContact O-CB 3.46Å; Y216-P221 HydrophobicContact CD1-CB 3.56Å; Y216-P221 HydrophobicContact CD1-CG 3.39Å; Y216-P221 HydrophobicContact CD2-CB 4.28Å; Y216-P221 HydrophobicContact CD2-CG 4.11Å; Y216-P221 HydrophobicContact CE1-CB 3.63Å; Y216-P221 HydrophobicContact CE1-CG 4.02Å; Y216-P221 HydrophobicContact CE2-CB 4.32Å; Y216-P221 HydrophobicContact CG-CB 3.9Å; Y216-P221 HydrophobicContact CG-CG 3.43Å; Y216-P221 VanDerWaalsContact CG-CG 3.43Å; D218-P221 HydrophobicContact CB-CG 4.5Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; D218-P221 VanDerWaalsContact O-CG 3.25Å; D218-P221 WeakPolarHBondContact O-CG 3.42Å; P221-K223 VanDerWaalsContact C-N 3.33Å; P221-K223 PolarHBondContact O-N 3.3Å; P221-K224 PolarHBondContact O-N 2.82Å; P221-V225 WeakPolarHBondContact O-CB 3.12Å; P221-V225 WeakPolarHBondContact O-CG2 3.3Å; P221-V225 PolarHBondContact O-N 3.01Å
222V84.3Confident84.6Confident4 Ų465 Ų652%0.02431%0.308CS..Hα-helixtrans-59.3-45.2-179176.20000111.3V167 I170 Y216 E219 T220 V225 L226V167-V222 WeakPolarHBondContact O-CG1 3.47Å; I170-V222 HydrophobicContact CG2-CB 4.11Å; I170-V222 HydrophobicContact CG2-CG1 3.5Å; I170-V222 HydrophobicContact CG2-CG2 3.9Å; Y216-V222 HydrophobicContact CD2-CG2 3.59Å; Y216-V222 HydrophobicContact CE2-CG2 4.25Å; Y216-V222 HydrophobicContact CG-CG2 4.34Å; E219-V222 WeakPolarHBondContact O-CB 3.48Å; E219-V222 PolarHBondContact O-N 3.07Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 3.32Å; V222-V225 PolarHBondContact O-N 3.44Å; V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.16Å; V222-L226 WeakPolarHBondContact O-CD1 3.14Å; V222-L226 WeakPolarHBondContact O-CG 3.27Å; V222-L226 PolarHBondContact O-N 3.06Å
223K83.9Confident84.3Confident120 Ų12065 Ų6552%0.52231%0.307SS..Hα-helixtrans-63-45.2178.2-69.7173.3-176.7168.80111.7E219 T220 P221 V225 L226 E227E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact O-N 3.15Å; E219-K223 IonicContact OE1-NZ 2.67Å; E219-K223 PolarHBondContact OE1-NZ 3.08Å; E219-K223 WeakPolarHBondContact OE2-CE 3.25Å; E219-K223 IonicContact OE2-NZ 2.91Å; E219-K223 PolarHBondContact OE2-NZ 3.44Å; E219-K223 VanDerWaalsContact OE2-NZ 3.07Å; T220-K223 PolarHBondContact O-N 3.18Å; P221-K223 VanDerWaalsContact C-N 3.33Å; P221-K223 PolarHBondContact O-N 3.3Å; K223-V225 PolarHBondContact O-N 2.82Å; K223-L226 PolarHBondContact O-N 2.78Å; K223-E227 PolarHBondContact O-N 2.98Å; K223-E227 VanDerWaalsContact O-N 3.11Å
224K84.8Confident83.4Confident123 Ų12366.3 Ų66.354%0.53532%0.322SS..Hα-helixtrans-63.5-40.1178.3-69.9177.4-179.5178.40112.6T220 P221 E227T220-K224 WeakPolarHBondContact O-CG 3.41Å; T220-K224 PolarHBondContact O-N 2.82Å; P221-K224 PolarHBondContact O-N 2.82Å; K224-E227 WeakPolarHBondContact O-CB 3.42Å; K224-E227 PolarHBondContact O-N 2.81Å
225V84.3Confident82.7Confident0 Ų069.6 Ų69.60%036%0.355CS..Hα-helixtrans-71.7-37.1179.2175.40000110.7I170 F188 F191 P221 V222 K223 E227 K228 H231 I240I170-V225 HydrophobicContact CD1-CG1 4.04Å; F188-V225 HydrophobicContact CD1-CG1 4.34Å; F188-V225 HydrophobicContact CE1-CG1 3.96Å; F191-V225 HydrophobicContact CB-CG2 3.54Å; F191-V225 HydrophobicContact CD1-CG2 3.7Å; F191-V225 HydrophobicContact CD2-CG2 3.96Å; F191-V225 HydrophobicContact CE1-CG2 4.4Å; F191-V225 HydrophobicContact CG-CG2 3.45Å; F191-V225 VanDerWaalsContact CG-CG2 3.45Å; P221-V225 WeakPolarHBondContact O-CB 3.12Å; P221-V225 WeakPolarHBondContact O-CG2 3.3Å; P221-V225 PolarHBondContact O-N 3.01Å; V222-V225 PolarHBondContact O-N 3.44Å; K223-V225 PolarHBondContact O-N 2.82Å; V225-E227 VanDerWaalsContact C-N 3.3Å; V225-E227 PolarHBondContact O-N 3.36Å; V225-K228 PolarHBondContact O-N 3.39Å; V225-K228 VanDerWaalsContact O-O 3.04Å; V225-H231 PolarHBondContact O-NE2 2.72Å; V225-H231 VanDerWaalsContact O-NE2 3.14Å; V225-I240 HydrophobicContact CG1-CB 4.44Å; V225-I240 HydrophobicContact CG1-CD1 3.14Å; V225-I240 HydrophobicContact CG1-CG1 4.34Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å
226L83.9Confident82.3Confident51 Ų5169.5 Ų69.527%0.26736%0.356SS..Hα-helixtrans-71-22.7176.3-73.4168.5000113.9V222 K223 K228 I240 I242V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.16Å; V222-L226 WeakPolarHBondContact O-CD1 3.14Å; V222-L226 WeakPolarHBondContact O-CG 3.27Å; V222-L226 PolarHBondContact O-N 3.06Å; K223-L226 PolarHBondContact O-N 2.78Å; L226-K228 PolarHBondContact O-N 3.38Å; L226-I240 HydrophobicContact CD2-CG2 4.15Å; L226-I242 HydrophobicContact CD1-CD1 4.1Å; L226-I242 HydrophobicContact CD1-CG1 3.58Å; L226-I242 HydrophobicContact CD2-CG1 4.21Å
227E82.7Confident82.1Confident163 Ų16376.1 Ų76.176%0.76239%0.385SS*.Hα-helixtrans-58.9-37.3174-167.9176.8178.400111K223 K224 V225K223-E227 PolarHBondContact O-N 2.98Å; K223-E227 VanDerWaalsContact O-N 3.11Å; K224-E227 WeakPolarHBondContact O-CB 3.42Å; K224-E227 PolarHBondContact O-N 2.81Å; V225-E227 VanDerWaalsContact C-N 3.3Å; V225-E227 PolarHBondContact O-N 3.36Å
228K80.1Confident82.1Confident125 Ų12571.9 Ų71.954%0.54337%0.366SS..SBendtrans-95.897.6173.4-70.3178.7-175.81770109.7V225 L226 F230 H231V225-K228 PolarHBondContact O-N 3.39Å; V225-K228 VanDerWaalsContact O-O 3.04Å; L226-K228 PolarHBondContact O-N 3.38Å; K228-F230 PolarHBondContact O-N 2.82Å; K228-H231 WeakPolarHBondContact CB-NE2 3.42Å; K228-H231 PolarHBondContact O-CD2 3.16Å; K228-H231 PolarHBondContact O-NE2 3.47Å; K228-H231 VanDerWaalsContact O-NE2 3.16Å
229K74.4Confident82.2Confident159 Ų15971.1 Ų71.169%0.69136%0.36SS*.SBendtrans-54.5-26.7179.3-67.5-176.8179.4177.30114.4I240K229-I240 PolarHBondContact O-N 2.81Å
230F83.6Confident82.4Confident111 Ų11168.1 Ų68.149%0.48735%0.346SS..EExtended strand (participates in β ladder)trans-132.2134.2179.5-58.1-75.5000111.1K228 K237 C238 E239K228-F230 PolarHBondContact O-N 2.82Å; F230-K237 HydrophobicContact CB-CG 4.28Å; F230-K237 HydrophobicContact CD1-CD 4.27Å; F230-K237 HydrophobicContact CD1-CG 4.2Å; F230-C238 VanDerWaalsContact CA-O 3.31Å; F230-C238 WeakPolarHBondContact CA-O 3.45Å; F230-E239 HydrophobicContact CD1-CB 4.41Å; F230-E239 HydrophobicContact CE1-CB 4.38Å; F230-E239 HydrophobicContact CE1-CG 4.27Å
231H83.2Confident82.4Confident6 Ų669.2 Ų69.23%0.02834%0.344CS..EExtended strand (participates in β ladder)trans-118.3158.7172.7-71.9-106.4000109.4Y187 F191 V225 K228 K237 C238 I240Y187-H231 HydrophobicContact CE1-CB 3.98Å; Y187-H231 AromaticContact CE1-ND1 3.44Å; Y187-H231 WeakPolarHBondContact CE1-ND1 3.1Å; Y187-H231 AromaticContact CZ-ND1 3.64Å; Y187-H231 PolarHBondContact OH-ND1 3.33Å; F191-H231 AromaticContact CZ-CE1 3.62Å; F191-H231 AromaticContact CZ-ND1 3.91Å; V225-H231 PolarHBondContact O-NE2 2.72Å; V225-H231 VanDerWaalsContact O-NE2 3.14Å; K228-H231 WeakPolarHBondContact CB-NE2 3.42Å; K228-H231 PolarHBondContact O-CD2 3.16Å; K228-H231 PolarHBondContact O-NE2 3.47Å; K228-H231 VanDerWaalsContact O-NE2 3.16Å; H231-K237 CarbonylContact O-C 3.59Å; H231-K237 WeakPolarHBondContact O-CA 3.37Å; H231-C238 PolarHBondContact N-O 2.81Å; H231-C238 PolarHBondContact O-N 2.78Å; H231-I240 HydrophobicContact CB-CD1 4.27Å; H231-I240 WeakPolarHBondContact CD2-CD1 3.13Å
232N82.8Confident82.3Confident102 Ų10273 Ų7355%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-118113.2174.8-167-5.4000107.9G235 S236N232-G235 WeakPolarHBondContact OD1-CA 3.37Å; N232-S236 WeakPolarHBondContact CA-O 3.49Å; N232-S236 PolarHBondContact OD1-N 2.89Å; N232-S236 PolarHBondContact OD1-O 2.95Å; N232-S236 VanDerWaalsContact OD1-O 3.07Å
233V79.8Confident81.9Confident3 Ų373.1 Ų73.12%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-125.6126.2-178.7-1750000107.8L175 T179 V183 Y187 F188 G235 S236L175-V233 HydrophobicContact CD2-CB 3.83Å; L175-V233 HydrophobicContact CD2-CG1 4.02Å; L175-V233 HydrophobicContact CD2-CG2 4.47Å; T179-V233 HydrophobicContact CG2-CG1 4.33Å; V183-V233 HydrophobicContact CG1-CG1 4.17Å; Y187-V233 HydrophobicContact CD1-CG2 3.55Å; Y187-V233 HydrophobicContact CE1-CG2 3.77Å; Y187-V233 HydrophobicContact CG-CG2 3.96Å; F188-V233 HydrophobicContact CE2-CG2 4.15Å; F188-V233 HydrophobicContact CZ-CG2 4.39Å; V233-G235 PolarHBondContact O-N 2.7Å; V233-S236 PolarHBondContact N-O 2.85Å; V233-S236 PolarHBondContact O-N 2.87Å; V233-S236 VanDerWaalsContact O-N 3.07Å
234S72Confident81.3Confident72 Ų7272 Ų7250%0.50336%0.362SS..THydrogen-bonded Turntrans56.132.1-179.7-169.10000114T179 S236T179-S234 WeakPolarHBondContact OG1-CB 3.44Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.43Å
235G73.9Confident80.3Confident68 Ų6870 Ų7070%0.70136%0.361SS*.THydrogen-bonded Turntrans80.80.9-179.700000115.1N232 V233N232-G235 WeakPolarHBondContact OD1-CA 3.37Å; V233-G235 PolarHBondContact O-N 2.7Å
236S79.8Confident79.1Confident22 Ų2278.1 Ų78.115%0.15440%0.396CS..EExtended strand (participates in β ladder)trans-108.6139.3175.6-84.20000112.7N176 N232 V233 S234 C238N176-S236 PolarHBondContact ND2-OG 3.06Å; N176-S236 PolarHBondContact OD1-OG 3.1Å; N232-S236 WeakPolarHBondContact CA-O 3.49Å; N232-S236 PolarHBondContact OD1-N 2.89Å; N232-S236 PolarHBondContact OD1-O 2.95Å; N232-S236 VanDerWaalsContact OD1-O 3.07Å; V233-S236 PolarHBondContact N-O 2.85Å; V233-S236 PolarHBondContact O-N 2.87Å; V233-S236 VanDerWaalsContact O-N 3.07Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.43Å; S236-C238 PolarHBondContact O-N 2.98Å; S236-C238 PolarHBondContact O-SG 3.39Å; S236-C238 VanDerWaalsContact O-SG 3.32Å
237K85.1Confident77.8Confident138 Ų13883 Ų8360%0.642%0.418SS*.EExtended strand (participates in β ladder)trans-77.4109.3177.3-175.9177.4176.6179.60110F230 H231F230-K237 HydrophobicContact CB-CG 4.28Å; F230-K237 HydrophobicContact CD1-CD 4.27Å; F230-K237 HydrophobicContact CD1-CG 4.2Å; H231-K237 CarbonylContact O-C 3.59Å; H231-K237 WeakPolarHBondContact O-CA 3.37Å
238C87.1Confident76.6Confident0 Ų078 Ų780%040%0.398CS..EExtended strand (participates in β ladder)trans-94.4137.3178.7-45.10000111.1V172 G173 L175 F230 H231 S236V172-C238 HydrophobicContact CG1-CB 3.79Å; G173-C238 CarbonylContact O-C 3.59Å; G173-C238 WeakPolarHBondContact O-CA 3.37Å; L175-C238 HydrophobicContact CD2-CB 4.5Å; L175-C238 WeakPolarHBondContact CD2-SG 3.44Å; L175-C238 HydrophobicContact CG-CB 4.5Å; F230-C238 VanDerWaalsContact CA-O 3.31Å; F230-C238 WeakPolarHBondContact CA-O 3.45Å; H231-C238 PolarHBondContact N-O 2.81Å; H231-C238 PolarHBondContact O-N 2.78Å; S236-C238 PolarHBondContact O-N 2.98Å; S236-C238 PolarHBondContact O-SG 3.39Å; S236-C238 VanDerWaalsContact O-SG 3.32Å
239E86.3Confident75.5Confident75 Ų7578.9 Ų78.935%0.3540%0.399SS..EExtended strand (participates in β ladder)trans-99.7134.6172-174.1-174-161.500109.5V172 G173 F230 K241V172-E239 CarbonylContact C-O 3.57Å; V172-E239 WeakPolarHBondContact CA-O 3.46Å; G173-E239 PolarHBondContact N-O 2.96Å; G173-E239 PolarHBondContact O-N 3.34Å; F230-E239 HydrophobicContact CD1-CB 4.41Å; F230-E239 HydrophobicContact CE1-CB 4.38Å; F230-E239 HydrophobicContact CE1-CG 4.27Å; E239-K241 VanDerWaalsContact CD-CE 3.41Å; E239-K241 WeakPolarHBondContact OE1-CE 3.48Å; E239-K241 IonicContact OE1-NZ 3.84Å; E239-K241 PolarHBondContact OE1-NZ 3.18Å; E239-K241 IonicContact OE2-NZ 3.07Å; E239-K241 PolarHBondContact OE2-NZ 2.85Å
240I88Confident74.5Confident11 Ų1176.4 Ų76.46%0.05639%0.39CS..EExtended strand (participates in β ladder)trans-113.3129.6-179.9-50.8-174.6000110.5I170 F171 V172 F188 V225 L226 K229 H231I170-I240 HydrophobicContact CB-CG2 4.19Å; I170-I240 HydrophobicContact CD1-CG2 4.2Å; F171-I240 CarbonylContact O-C 3.46Å; F171-I240 WeakPolarHBondContact O-CA 3.27Å; V172-I240 HydrophobicContact CG1-CG1 4.39Å; V172-I240 HydrophobicContact CG2-CD1 4.44Å; V172-I240 HydrophobicContact CG2-CG1 4.31Å; F188-I240 HydrophobicContact CE1-CD1 3.52Å; F188-I240 HydrophobicContact CZ-CD1 3.85Å; V225-I240 HydrophobicContact CG1-CB 4.44Å; V225-I240 HydrophobicContact CG1-CD1 3.14Å; V225-I240 HydrophobicContact CG1-CG1 4.34Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å; L226-I240 HydrophobicContact CD2-CG2 4.15Å; K229-I240 PolarHBondContact O-N 2.81Å; H231-I240 HydrophobicContact CB-CD1 4.27Å; H231-I240 WeakPolarHBondContact CD2-CD1 3.13Å
241K85.8Confident73.1Confident98 Ų9878.6 Ų78.643%0.42640%0.401SS..EExtended strand (participates in β ladder)trans-130.5155.7177.2-69.9174.7169.2141.90109.6F171 E239 A243F171-K241 HydrophobicContact CB-CB 4.42Å; F171-K241 HydrophobicContact CD1-CB 4.11Å; F171-K241 PolarHBondContact N-O 3.33Å; F171-K241 PolarHBondContact O-N 3.48Å; E239-K241 VanDerWaalsContact CD-CE 3.41Å; E239-K241 WeakPolarHBondContact OE1-CE 3.48Å; E239-K241 IonicContact OE1-NZ 3.84Å; E239-K241 PolarHBondContact OE1-NZ 3.18Å; E239-K241 IonicContact OE2-NZ 3.07Å; E239-K241 PolarHBondContact OE2-NZ 2.85Å; K241-A243 PolarHBondContact O-N 3.39Å
242I83.1Confident71.7Confident83 Ų8383.9 Ų83.943%0.42643%0.426SS..EExtended strand (participates in β ladder)trans-58.9126.7165.4-73.8171.9000108.1V167 L226 Q244V167-I242 HydrophobicContact CB-CG2 3.81Å; V167-I242 HydrophobicContact CG1-CG2 3.71Å; V167-I242 HydrophobicContact CG2-CB 4.27Å; V167-I242 HydrophobicContact CG2-CD1 4.02Å; V167-I242 HydrophobicContact CG2-CG1 3.93Å; V167-I242 HydrophobicContact CG2-CG2 3.49Å; V167-I242 VanDerWaalsContact CG2-CG2 3.49Å; L226-I242 HydrophobicContact CD1-CD1 4.1Å; L226-I242 HydrophobicContact CD1-CG1 3.58Å; L226-I242 HydrophobicContact CD2-CG1 4.21Å; I242-Q244 PolarHBondContact O-N 2.92Å
243A75Confident70.2Confident5 Ų585.6 Ų85.64%0.04143%0.431CS..PPolyproline II helixtrans-68.9118.3174.500000108.7K169 F171 F213 K241K169-A243 HydrophobicContact CB-CB 3.84Å; K169-A243 HydrophobicContact CD-CB 4.24Å; K169-A243 HydrophobicContact CG-CB 3.63Å; K169-A243 WeakPolarHBondContact O-CB 3.27Å; K169-A243 PolarHBondContact O-N 3.1Å; K169-A243 VanDerWaalsContact O-N 3.07Å; F171-A243 HydrophobicContact CB-CB 4.42Å; F213-A243 HydrophobicContact CD1-CB 3.87Å; F213-A243 HydrophobicContact CE1-CB 4.11Å; K241-A243 PolarHBondContact O-N 3.39Å
244Q72Confident68.6Low98 Ų9894.3 Ų94.346%0.45847%0.465SS..PPolyproline II helixtrans-81.9139.1169-64.6-173.31.800108.6I242I242-Q244 PolarHBondContact O-N 2.92Å
245P64.1Low67.3Low79 Ų7994 Ų9451%0.51347%0.473SS..PPolyproline II helixtrans-60145.117424.5-31.5000109.7E247 V248 Y249P245-E247 PolarHBondContact O-N 3.09Å; P245-V248 HydrophobicContact CG-CB 4.38Å; P245-V248 HydrophobicContact CG-CG2 3.81Å; P245-V248 PolarHBondContact O-N 3.23Å; P245-Y249 PolarHBondContact O-N 3.22Å
246K58.6Low66Low171 Ų17194.1 Ų94.174%0.74347%0.474SS*.Hα-helixtrans-53.8-32-174.2-170.4177.3176.8-176.90112.8Y249 Q250K246-Y249 PolarHBondContact O-N 3.34Å; K246-Q250 WeakPolarHBondContact O-CB 3.14Å; K246-Q250 PolarHBondContact O-N 3.25Å
247E57.1Low64.3Low155 Ų155104.5 Ų104.572%0.72451%0.51SS*.Hα-helixtrans-63.1-38.9177.3-76.216715200113.3P245 Q250 Q251P245-E247 PolarHBondContact O-N 3.09Å; E247-Q250 PolarHBondContact O-N 3.31Å; E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 PolarHBondContact O-N 2.82Å
248V56.4Low62.2Low56 Ų56101.6 Ų101.634%0.33952%0.519SS..Hα-helixtrans-70.3-37.6177.7175.60000110.7P245 Q251 Q252P245-V248 HydrophobicContact CG-CB 4.38Å; P245-V248 HydrophobicContact CG-CG2 3.81Å; P245-V248 PolarHBondContact O-N 3.23Å; V248-Q251 PolarHBondContact O-N 2.99Å; V248-Q252 PolarHBondContact O-N 2.86Å; V248-Q252 VanDerWaalsContact O-N 3.08Å
249Y56.9Low60.2Low144 Ų144105.7 Ų105.757%0.56556%0.561SS**Hα-helixtrans-69-38.9177.3-150.7-93.4000111.9P245 K246 Q251 Q252 Q253P245-Y249 PolarHBondContact O-N 3.22Å; K246-Y249 PolarHBondContact O-N 3.34Å; Y249-Q251 VanDerWaalsContact C-N 3.34Å; Y249-Q252 PolarHBondContact O-N 3.42Å; Y249-Q253 WeakPolarHBondContact O-CB 3.41Å; Y249-Q253 PolarHBondContact O-N 3.23Å
250Q54.4Low58.1Low108 Ų108106.2 Ų106.251%0.50559%0.586SS.*Hα-helixtrans-67.7-35.6177.2-147.9167.228.100111.4K246 E247 Y254K246-Q250 WeakPolarHBondContact O-CB 3.14Å; K246-Q250 PolarHBondContact O-N 3.25Å; E247-Q250 PolarHBondContact O-N 3.31Å; Q250-Y254 HydrophobicContact CG-CD2 4.33Å; Q250-Y254 HydrophobicContact CG-CE2 4.44Å; Q250-Y254 WeakPolarHBondContact O-CB 3.38Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.95Å; Q250-Y254 VanDerWaalsContact O-N 3.1Å
251Q53.3Low56.1Low156 Ų156109.2 Ų109.273%0.72962%0.62SS**Hα-helixtrans-71.4-34.4176-153.6170.153.200112.7E247 V248 Y249 G255E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 PolarHBondContact O-N 2.82Å; V248-Q251 PolarHBondContact O-N 2.99Å; Y249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-G255 PolarHBondContact O-N 2.99Å
252Q54.3Low53.9Low118 Ų118116.6 Ų116.655%0.55165%0.645SS**Hα-helixtrans-72.3-37.2173.7-76173.129.800112.7V248 Y249 G255V248-Q252 PolarHBondContact O-N 2.86Å; V248-Q252 VanDerWaalsContact O-N 3.08Å; Y249-Q252 PolarHBondContact O-N 3.42Å; Q252-G255 PolarHBondContact O-N 3.35Å
253Q50.7Low51.7Low138 Ų138115.9 Ų115.965%0.64566%0.659SS**Hα-helixtrans-73.8-27.1179.5-157.1172.83.100112.7Y249Y249-Q253 WeakPolarHBondContact O-CB 3.41Å; Y249-Q253 PolarHBondContact O-N 3.23Å
254Y47.1Very low49.9Very low185 Ų185127.2 Ų127.273%0.72570%0.7SS**Hα-helixtrans-94.2-13.7173.1-80.4-93.4000114.3Q250 G256Q250-Y254 HydrophobicContact CG-CD2 4.33Å; Q250-Y254 HydrophobicContact CG-CE2 4.44Å; Q250-Y254 WeakPolarHBondContact O-CB 3.38Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.95Å; Q250-Y254 VanDerWaalsContact O-N 3.1Å; Y254-G256 VanDerWaalsContact C-N 3.34Å
255G43.3Very low48.6Very low65 Ų65126.7 Ų126.767%0.6772%0.721SS**Hα-helixtrans-77.6-15.2173.100000114.6Q251 Q252Q251-G255 PolarHBondContact O-N 2.99Å; Q252-G255 PolarHBondContact O-N 3.35Å
256G47.8Very low47.2Very low71 Ų71134.4 Ų134.473%0.73274%0.74SS**THydrogen-bonded Turntrans-96.40.5-176.900000116Y254Y254-G256 VanDerWaalsContact C-N 3.34Å
257R44.4Very low46.1Very low241 Ų241129.8 Ų129.891%0.90974%0.741SS**SBendtrans-141.953.7-177.3-149.3-178.5-165.7-163.34.2112.1
258G40.9Very low45Very low76 Ų76126.2 Ų126.278%0.78475%0.746SS**SBendtrans-163.231.3179.700000113.9
259G44.9Very low44.2Very low86 Ų86132.7 Ų132.789%0.88777%0.772SS**  trans-134.166.7-178.300000111.5
260G41.8Very low43.1Very low86 Ų86129.2 Ų129.289%0.88778%0.781SS**  trans-163.344.4178.800000112.3
261G45.4Very low42.3Very low74 Ų74132.3 Ų132.376%0.76380%0.795SS**SBendtrans-135.421.7-172.300000114.9
262R41Very low41.1Very low254 Ų254132.1 Ų132.196%0.95880%0.799SS**  trans-150.6100.7165.1-70-167.2-173.8166.83.2110
263G36.5Very low39.8Very low68 Ų68137.5 Ų137.570%0.70181%0.814SS**  trans16882.1169.700000115.7
264R36.8Very low39Very low242 Ų242137.7 Ų137.791%0.91382%0.82SS**  trans65.5118.1136.5-65.7-179.9176.7178.2-1.1117.8R266R264-R266 PolarHBondContact O-N 3.07Å
265G45.7Very low38.4Very low87 Ų87137.9 Ų137.990%0.89783%0.828SS**  trans-46.5129.2147.100000111.3
266R34.9Very low37.7Very low241 Ų241138.3 Ų138.391%0.90983%0.831SS**  trans-14699.8155.3-157.9179.1-166.6-167.12.8102.9R264R264-R266 PolarHBondContact O-N 3.07Å
267G34.7Very low36.9Very low74 Ų74139.1 Ų139.176%0.76384%0.84SS**  7863.194.600000108Q269G267-Q269 PolarHBondContact O-N 2.91Å
268G34.1Very low36.2Very low80 Ų80131.7 Ų131.783%0.82584%0.838SS**  trans-66.8112166.800000108.1G270G268-G270 PolarHBondContact O-N 3.4Å; G268-G270 VanDerWaalsContact O-N 3.07Å
269Q38.7Very low35.7Very low192 Ų192132.1 Ų132.190%0.89784%0.843SS**  trans-64.197.7173.8-166.5161.46.600108.4G267G267-Q269 PolarHBondContact O-N 2.91Å
270G34.3Very low35Very low72 Ų72131.1 Ų131.174%0.74283%0.833SS**  trans-124.8106.1175.100000109G268 N272G268-G270 PolarHBondContact O-N 3.4Å; G268-G270 VanDerWaalsContact O-N 3.07Å; G270-N272 PolarHBondContact O-N 3.5Å
271Q37.1Very low34.5Very low172 Ų172137.7 Ų137.780%0.80483%0.832SS**  trans-63.5127.1-177.3-68.8151.7-15.300110.7W273Q271-W273 PolarHBondContact O-N 3.07Å
272N28Very low33.8Very low153 Ų153141 Ų14182%0.81883%0.832SS**  trans-78.8106.2167.2-173.732.4000108.6G270G270-N272 PolarHBondContact O-N 3.5Å
273W28.6Very low33.3Very low230 Ų230135 Ų13587%0.87182%0.819SS**  trans-113.7119.2156.7-89.297.3000108.8Q271 Q275Q271-W273 PolarHBondContact O-N 3.07Å; W273-Q275 PolarHBondContact O-N 3.5Å
274N33.6Very low33Very low142 Ų142139.9 Ų139.976%0.75982%0.818SS**  trans-71.9112.5170.81798.2000110
275Q33Very low32.5Very low190 Ų190137.1 Ų137.189%0.88881%0.808SS**  trans-170.3108.8155-137.3172.584.700104.8W273W273-Q275 PolarHBondContact O-N 3.5Å
276G30.1Very low31.7Very low73 Ų73138.4 Ų138.475%0.75379%0.794SS**  107106.158.800000107.6
277G29.8Very low31.4Very low88 Ų88135.1 Ų135.191%0.90779%0.789SS**  trans105.4127.1154.600000118.2
278G30.7Very low31Very low85 Ų85134.4 Ų134.488%0.87678%0.782SS**  trans93.996.5161.200000112.8
279G29.9Very low30.7Very low86 Ų86142.3 Ų142.389%0.88779%0.789SS**  cis104.8109.346.700000107.1
280G31.3Very low30.3Very low65 Ų65136.5 Ų136.567%0.6778%0.78SS**  trans162.174.117500000117.9
281Y31.2Very low30Very low224 Ų224139.4 Ų139.488%0.87878%0.778SS**  trans48.1102.8140.6-56.6-80.7000121.4
282N30.2Very low29.6Very low143 Ų143138.9 Ų138.977%0.76578%0.776SS**  54.6142.6115-102.8-12.8000123.6
283N29.7Very low29.6Very low128 Ų128134.5 Ų134.568%0.68477%0.767SS**  trans84.8135.7150.5-80.910.9000118
284Y29.8Very low29.6Very low171 Ų171134.9 Ų134.967%0.67177%0.77SS**  cis-173.5129.8-1.1-161.7-107.8000106.9
285W26.8Very low29.3Very low184 Ų184131.2 Ų131.270%0.69777%0.766SS**  trans68.8117.7149.7-69.357.8000120.4
286N29Very low29.1Very low113 Ų113133.9 Ų133.960%0.60477%0.769SS**  6996.875.9-156.1-92.1000111.1
287Q28.2Very low29.1Very low172 Ų172133.9 Ų133.980%0.80477%0.769SS**  87.9133.289-161.6152.516.900113.2
288G26.5Very low29.2Very low60 Ų60133.3 Ų133.362%0.61976%0.764SS**  trans117.6114.5143.900000117.2
289Y28.7Very low29.5Very low246 Ų246137 Ų13797%0.96576%0.758SS**  trans52.7130.9133-78.8-92.3000121.5
290G28.9Very low29.6Very low69 Ų69140.8 Ų140.871%0.71175%0.753SS**  124.9111.3126.700000117.6
291N29.3Very low29.5Very low134 Ų134140.9 Ų140.972%0.71775%0.754SS**  63122.2120.1-141.5-94.8000120.6
292Q28.1Very low29.5Very low161 Ų161141.7 Ų141.775%0.75276%0.757SS**  trans57.5127.4140.1-83.362.7-2200120.9
293G28Very low29.6Very low61 Ų61138.7 Ų138.763%0.62976%0.759SS**  122.5119118.900000117.3
294Y28.6Very low29.6Very low238 Ų238136 Ų13693%0.93376%0.762SS**  trans54.2120.6141.1-71.5-90.4000120.9
295G27Very low29.7Very low65 Ų65139.5 Ų139.567%0.6778%0.776SS**  123.9112110.900000118.7
296Y28.6Very low30Very low245 Ų245134.2 Ų134.296%0.96178%0.779SS**  trans76.1131.4133.1-87.2-91.8000123.5
297G31.5Very low30.2Very low73 Ų73131.6 Ų131.675%0.75378%0.778SS**  trans124.791.4155.800000111.7
298G32.2Very low30.4Very low77 Ų77134.7 Ų134.779%0.79478%0.784SS**  81.712067.800000108.5
299Q36.3Very low30.7Very low162 Ų162135 Ų13576%0.75779%0.787SS**  cis-173.4150.445.4-96.1174.2-10.100111.4
300Q32Very low30.6Very low165 Ų165129.7 Ų129.777%0.77178%0.775SS**  trans65.1118.1142.5-62.115427.300118.2
301G29.1Very low30.7Very low67 Ų67135 Ų13569%0.69178%0.775SS**  cis117.2119.513.500000110.3
302Y30.1Very low30.6Very low242 Ų242134.4 Ų134.495%0.94977%0.772SS**  trans-171.6117.6141.5-115.5-82.3000112.2
303G32.8Very low30.6Very low79 Ų79136.8 Ų136.881%0.81478%0.775SS**  trans75.7114.1152.500000118.6
304G29.8Very low30.8Very low72 Ų72138.3 Ų138.374%0.74278%0.776SS**  cis102.988.97.800000113.5
305Y31.5Very low30.8Very low245 Ų245131.6 Ų131.696%0.96177%0.771SS**  trans-167.3105.5150.3-101.8-84.6000103.9
306G34.6Very low30.9Very low73 Ų73131.4 Ų131.475%0.75377%0.768SS**  cis102.6120.845.600000107.1
307G33.1Very low31Very low58 Ų58131.4 Ų131.460%0.59877%0.768SS**  cis166.4173.1-2.700000110.6
308Y32.5Very low30.9Very low237 Ų237131 Ų13193%0.92977%0.765SS**  trans68.3137151.1-42-79.5000118.1
309G31.4Very low30.8Very low65 Ų65139.1 Ų139.167%0.6777%0.773SS**  cis165.7137.39.100000105.9
310N28Very low30.5Very low135 Ų135135.1 Ų135.172%0.72278%0.775SS**  69.3127.982.1-158-75.7000110.3
311Y29.6Very low30.6Very low181 Ų181130.8 Ų130.871%0.7177%0.774SS**  cis-169.9149.118.8-122.1-144.3000106.7
312D27.7Very low30.7Very low122 Ų122130.7 Ų130.765%0.65277%0.774SS**  86.4120.1104.1-153.6-24.9000114.4
313Y28.4Very low30.8Very low210 Ų210130.3 Ų130.382%0.82477%0.772SS**  175.5119.1121-141.8-107.7000114
314S31.1Very low30.8Very low93 Ų93133.2 Ų133.265%0.6577%0.769SS**  trans4.4135.2144.1-160.80000122.2
315A30.5Very low30.8Very low98 Ų98140.9 Ų140.981%0.8178%0.777SS**  151.7130.6106.400000115.1
316G28.9Very low30.9Very low60 Ų60135.2 Ų135.262%0.61976%0.764SS**  117.9107.4129.500000120.9
317Y29.7Very low30.9Very low245 Ų245140.7 Ų140.796%0.96177%0.77SS**  trans57.8130145.2-54.9-87.6000119
318G29.1Very low30.7Very low66 Ų66141.8 Ų141.868%0.6878%0.781SS**  cis138.3130.916.800000108.4
319Y31.4Very low30.7Very low247 Ų247138.4 Ų138.497%0.96978%0.779SS**  trans158.9116.6138.3-100.1-84.7000114.8
320G30.3Very low30.8Very low77 Ų77139.9 Ų139.979%0.79479%0.785SS**  trans79117.5154.300000117.9
321G33.3Very low31Very low74 Ų74136.4 Ų136.476%0.76378%0.781SS**  cis85.4108.229.700000109.9
322G31.8Very low31.1Very low66 Ų66139.9 Ų139.968%0.6879%0.794SS**  cis117104.414.800000109.4
323Y31Very low31.3Very low233 Ų233137.8 Ų137.891%0.91480%0.802SS**  trans-143.6119.7158.8-26-78.7000110.9
324D33Very low31.6Very low140 Ų140137.6 Ų137.675%0.74981%0.805SS**  trans-101.9144168.9-164.5-66.6000107.1N326D324-N326 PolarHBondContact OD1-N 3.47Å
325Y30.3Very low32.1Very low233 Ų233139.8 Ų139.891%0.91482%0.815SS**  trans-144.7115.3152.3-127.5-87.7000110.3
326N34.3Very low32.9Very low127 Ų127141 Ų14168%0.67981%0.814SS**  trans-73.4156.6170.1-174.1-3.9000111.5D324D324-N326 PolarHBondContact OD1-N 3.47Å
327Q34.1Very low33.3Very low187 Ų187150.1 Ų150.187%0.87483%0.83SS**  trans130.2123.7134.4-158.5168.584.200115.1
328G29Very low33.6Very low82 Ų82149.9 Ų149.985%0.84583%0.827SS**  trans162.587.7164.300000116.9
329N32.6Very low33.8Very low166 Ų166150.2 Ų150.289%0.88883%0.831SS**  trans-82135.4170.6178.28.6000111.3
330A32.5Very low33.9Very low95 Ų95142 Ų14279%0.78582%0.821SS**  trans175.3123.6144.400000111.7
331G31.7Very low34.3Very low62 Ų62147.6 Ų147.664%0.63983%0.826SS**  trans-85.6162.1165.400000112.5
332Y31.6Very low34.5Very low254 Ų254153.3 Ų153.3100%0.99683%0.833SS**  trans-175.7139.2145-94.3-72000109
333G32.4Very low34.9Very low78 Ų78155.9 Ų155.980%0.80484%0.841SS**  trans125.470.5153.600000118.4
334K35.5Very low35.4Very low207 Ų207150.4 Ų150.490%0.984%0.837SS**  trans-73.9138.8154.9-74-174.8175.9-178.70109.9
335T41.2Very low35.6Very low139 Ų139154.3 Ų154.385%0.85384%0.843SS**  trans-139.7139.614242.60000111.2
336P46.5Very low36.4Very low122 Ų122152.7 Ų152.779%0.79284%0.84SS**  trans-96.2138.9-17835.1-30000112.1
337R37.3Very low37.4Very low253 Ų253152 Ų15296%0.95584%0.843SS**  trans-11890163.1-96.5-168.5175.91790.5111.8
338R36.1Very low38.4Very low239 Ų239157.8 Ų157.890%0.90286%0.859SS**  trans12.7119132-162.4173.9-171166.12.1116.5
339G33Very low38.8Very low73 Ų73161.6 Ų161.675%0.75386%0.859SS**  trans-69.1164.4166.500000114
340G34.6Very low39.2Very low75 Ų75161.4 Ų161.477%0.77386%0.858SS**  trans-159.376.9172.900000110
341H37.8Very low39.5Very low194 Ų194165.1 Ų165.190%0.89886%0.862SS**  trans-89.7107.2159.5-72-76.1000107.5
342Q38.2Very low40Very low194 Ų194171.1 Ų171.191%0.90788%0.875SS**  trans-86.7108.1161.3-73.4-172.9-6600107.7
343S39.9Very low40.5Very low120 Ų120165.9 Ų165.984%0.83987%0.868SS**  trans-104116.3156.7-78.10000107.5
344S41.1Very low41.1Very low118 Ų118171.8 Ų171.883%0.82587%0.872SS**  trans-72.9117.5168.3-73.30000109.6
345Y38.4Very low41.5Very low223 Ų223169.3 Ų169.388%0.87587%0.87SS**  trans-152.7121.4152.3-141.9-101000109.5
346K45.8Very low41.5Very low199 Ų199171.6 Ų171.687%0.86587%0.871SS**  trans-111.6132171.3-87.4177.4172.1179.40107.9
347P57.1Low41.1Very low113 Ų113175.8 Ų175.873%0.73488%0.878SS**  trans-88151.8166.334.5-28.9000110.8
348Y53.4Low41.4Very low308 Ų308168.7 Ų168.7100%1.20887%0.871SS**  trans-116.70147.8-110-80.3000107.6

Retrieved 348 of 348 residues in 924.9 ms (Link to these results)