A0A096MP83_PAPAN Loading...

Zinc finger protein AEBP2

Acts as an accessory subunit for the core Polycomb repressive complex 2 (PRC2), which mediates histone H3K27 (H3K27me3) trimethylation on chromatin leading to transcriptional repression of the affected target gene. Plays a role in nucleosome localization of the PRC2 complex.

AlphaFold DB (A0A2K5YRN9), UniProt , Accession A0A096MP83, Species PAPAN (Papio anubis, Olive baboon), Gene AEBP2, Length 301 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1T43.3Very low32.5Very low198 Ų198168 Ų168100%1.21586%0.857SS**  087.6036.40000109.5
2Y29.9Very low32.4Very low224 Ų224164.8 Ų164.888%0.87885%0.851SS**  trans-154.2121.2163.6-166.8-101.2000108.6
3T32.7Very low32.3Very low125 Ų125163.7 Ų163.777%0.76785%0.845SS**  trans-120131-176.1450000109.3
4R36.3Very low32.5Very low228 Ų228165.1 Ų165.186%0.8685%0.849SS**  trans178.6108.7142.1-104.5179-179.5-144.61.1107.9
5R35.1Very low32.3Very low234 Ų234164.3 Ų164.388%0.88385%0.847SS**  59.4112.993.2-78.3-164.8-171.7174.83.5113.9
6Y31.1Very low32.6Very low236 Ų236163.1 Ų163.193%0.92585%0.849SS**  -157.3150.6119.8-110.5-82.5000111.1
7S31.6Very low32.4Very low97 Ų97161.9 Ų161.968%0.67885%0.845SS**  trans-82144.8-157.8-37.40000114.9
8S29.1Very low32.3Very low114 Ų114158.7 Ų158.780%0.79784%0.838SS**  65.9106.5104.6-55.70000117.6
9I31.7Very low32.3Very low173 Ų173156.3 Ų156.389%0.88783%0.83SS**  trans-136.2125.6140.5-61.4-177.2000108.2
10S28.6Very low32.1Very low102 Ų102156.4 Ų156.471%0.71383%0.829SS**  trans-79.5143.2-178.6-173.20000111.1
11S28.1Very low32Very low117 Ų117153.7 Ų153.782%0.81882%0.823SS**  trans-146.4113.8158-75.90000108.7
12T32Very low31.5Very low129 Ų129150.1 Ų150.179%0.79181%0.806SS**  trans-60.5124-179.541.30000112.6
13I30.8Very low31.4Very low151 Ų151143.4 Ų143.477%0.77481%0.805SS**  trans-104.4131154.6-87.7175000106.7
14M35Very low31.4Very low183 Ų183149.1 Ų149.190%0.90181%0.813SS**  trans-83.8118.2173.5-69-160.7171.400109.3
15D29.6Very low31.2Very low153 Ų153143.8 Ų143.882%0.81881%0.81SS**  trans-86.6130.9160.1-68.2-53.9000108.5
16V37.1Very low31.2Very low145 Ų145139 Ų13988%0.87981%0.807SS**  trans-117.6108.616543.40000107.2
17D28.2Very low31.7Very low144 Ų144133.8 Ų133.877%0.7780%0.802SS**  trans-134.9132.1162.7-153.8-1.5000107.1
18S30.6Very low31.7Very low104 Ų104133.1 Ų133.173%0.72780%0.803SS**  trans175.597.6152-79.20000110.7
19T32.7Very low31.8Very low112 Ų112135.8 Ų135.869%0.68781%0.805SS**  42.3128.5114.858.20000119.5
20I28.2Very low32Very low158 Ų158135.9 Ų135.981%0.8180%0.803SS**  179.5137.3112.3-89.6158.6000112.8
21S29.4Very low32.3Very low101 Ų101139 Ų13971%0.70681%0.812SS**  trans74.7102.5154-88.90000123.4
22S32.9Very low32.6Very low123 Ų123136.3 Ų136.386%0.8680%0.803SS**  37.4119.1103.8-56.10000119.9
23G28.7Very low32.7Very low83 Ų83140 Ų14086%0.85681%0.811SS**  trans-17889.9161.700000112.8
24R33.4Very low32.6Very low245 Ų245136.2 Ų136.293%0.92581%0.809SS**  trans-79.6127.4170.1-169.9-176.8-165.6-155.44.6108.4
25S30.9Very low32.3Very low116 Ų116132.6 Ų132.681%0.81180%0.802SS**  trans168.5120139.8-75.30000112.4
26T35.7Very low32.5Very low132 Ų132131.9 Ų131.981%0.8180%0.804SS**  trans-71.1154.6145.445.90000108.8
27P41.6Very low32.1Very low127 Ų127130.6 Ų130.683%0.82580%0.796SS**  cis-145.9174.249.535.7-12.4000118.4
28A30.6Very low32.5Very low83 Ų83128.2 Ų128.269%0.68679%0.791SS**  trans-28.7143.517600000119.7
29M31.8Very low33.1Very low171 Ų171129.4 Ų129.484%0.84280%0.799SS**  -173.5122.7123.740.7-16868.500114.7
30M36.8Very low33.6Very low174 Ų174128.3 Ų128.386%0.85780%0.796SS**  trans54.1151145.426.7-17886.100125.3
31N34.6Very low34.5Very low167 Ų167129.8 Ų129.889%0.89380%0.797SS**  trans82.4125.1171.5-71.83.7000116.7
32G33.8Very low35.8Very low62 Ų62131.6 Ų131.664%0.63980%0.799SS**  cis127.290.814.300000109.2
33Q33.7Very low37.5Very low206 Ų206130.7 Ų130.796%0.96378%0.783SS**  trans168.2137.6163.8-9715834.100108.3
34G28.8Very low39.9Very low71 Ų71129.5 Ų129.573%0.73277%0.765SS**  cis-146.3136.2-8.500000107.7T36G34-T36 PolarHBondContact O-N 3.5Å
35S29.1Very low42.3Very low108 Ų108121.6 Ų121.676%0.75574%0.736SS**  trans-78.5111.6178.2-47.90000108.8T37S35-T37 VanDerWaalsContact C-N 3.26Å; S35-T37 PolarHBondContact O-N 3.03Å; S35-T37 VanDerWaalsContact O-N 3.12Å
36T33Very low44.9Very low138 Ų138120.6 Ų120.685%0.84772%0.721SS**  trans-75.586.7155.144.40000107.3G34 S38G34-T36 PolarHBondContact O-N 3.5Å; T36-S38 PolarHBondContact O-N 3Å
37T29.6Very low47.4Very low118 Ų118114.7 Ų114.772%0.72469%0.685SS**  trans-73.875.2176.646.20000110.3S35 S39S35-T37 VanDerWaalsContact C-N 3.26Å; S35-T37 PolarHBondContact O-N 3.03Å; S35-T37 VanDerWaalsContact O-N 3.12Å; T37-S39 PolarHBondContact O-N 3.01Å
38S35.9Very low49.6Very low94 Ų94111.3 Ų111.366%0.65766%0.664SS**  trans-66.1115.7150.166.70000106.7T36 S40T36-S38 PolarHBondContact O-N 3Å; S38-S40 PolarHBondContact O-N 3.21Å
39S43.4Very low52.3Low128 Ų128108 Ų10890%0.89563%0.634SS**  trans-66.978.4178.6-68.30000109.9T37T37-S39 PolarHBondContact O-N 3.01Å
40S43.5Very low54.8Low89 Ų89102.3 Ų102.362%0.62261%0.606SS**  trans-100.8115.4175.9-62.50000107.4S38 N42S38-S40 PolarHBondContact O-N 3.21Å; S40-N42 PolarHBondContact O-N 3.41Å; S40-N42 VanDerWaalsContact O-N 3.11Å
41K47.8Very low56.9Low189 Ų189102.9 Ų102.982%0.82261%0.607SS**  trans-45.9119.6175.5-61.9173.1-178.2176.50108.6I43K41-I43 VanDerWaalsContact C-N 3.27Å; K41-I43 PolarHBondContact O-N 3.47Å
42N56.1Low59.4Low140 Ų14096.1 Ų96.175%0.74957%0.572SS**  trans-64.789.9175-103.3-66.9000108.2S40 A44S40-N42 PolarHBondContact O-N 3.41Å; S40-N42 VanDerWaalsContact O-N 3.11Å; N42-A44 PolarHBondContact O-N 3.42Å
43I69.7Low61.7Low103 Ų103102.4 Ų102.453%0.52859%0.585SS.*  trans-82.6104.5173.8-65.1157.7000105.4K41 Y45K41-I43 VanDerWaalsContact C-N 3.27Å; K41-I43 PolarHBondContact O-N 3.47Å; I43-Y45 VanDerWaalsContact O-CD2 3.24Å; I43-Y45 WeakPolarHBondContact O-CD2 3.32Å; I43-Y45 WeakPolarHBondContact O-CE2 3.38Å; I43-Y45 PolarHBondContact O-N 2.9Å
44A78.3Confident64.2Low58 Ų5893.8 Ų93.848%0.47955%0.549SS..  trans-68.3129.6171.600000109.4N42 N46N42-A44 PolarHBondContact O-N 3.42Å; A44-N46 PolarHBondContact O-OD1 3.3Å
45Y82.8Confident66.9Low80 Ų8094.6 Ų94.631%0.31454%0.542SS..EExtended strand (participates in β ladder)trans-98.5106.8177.3-67.7-85.4000108.9I43 F56 S58I43-Y45 VanDerWaalsContact O-CD2 3.24Å; I43-Y45 WeakPolarHBondContact O-CD2 3.32Å; I43-Y45 WeakPolarHBondContact O-CE2 3.38Å; I43-Y45 PolarHBondContact O-N 2.9Å; Y45-F56 PolarHBondContact N-O 2.88Å; Y45-F56 PolarHBondContact O-N 3.49Å; Y45-S58 VanDerWaalsContact CD2-C 3.44Å
46N85.8Confident69.6Low95 Ų9591.6 Ų91.651%0.50852%0.516SS..EExtended strand (participates in β ladder)trans-93.9134.7-177.7-63.251.3000110.3A44 C48A44-N46 PolarHBondContact O-OD1 3.3Å; N46-C48 PolarHBondContact O-N 3.04Å
47C88.4Confident72.1Confident8 Ų890.9 Ų90.95%0.05451%0.507CS..  trans-76.2118.3169.8-169.70000109.2W49 A54 L62C47-W49 VanDerWaalsContact C-N 3.32Å; C47-A54 HydrophobicContact CB-CB 4.27Å; C47-A54 WeakPolarHBondContact CB-O 3.43Å; C47-A54 PolarHBondContact N-O 3.42Å; C47-L62 HydrophobicContact CB-CD1 3.75Å
48C88.8Confident74.7Confident55 Ų5587.4 Ų87.437%0.37249%0.487SS..  trans-99.933.4176.8-54.60000111.9N46 W83 K84N46-C48 PolarHBondContact O-N 3.04Å; C48-W83 HydrophobicContact CB-CD2 4.28Å; C48-W83 HydrophobicContact CB-CH2 4.26Å; C48-W83 HydrophobicContact CB-CZ2 3.69Å; C48-K84 HydrophobicContact CB-CB 4.47Å; C48-K84 WeakPolarHBondContact O-CG 3.41Å; C48-K84 PolarHBondContact O-N 3.32Å
49W86.7Confident76.9Confident15 Ų1583.9 Ų83.96%0.05746%0.463CS..BIsolated β-bridgetrans-77.5145.2174.5-164.7-85000110.6C47 Q51 C52 H70 Q74 L82 W83 M103C47-W49 VanDerWaalsContact C-N 3.32Å; W49-Q51 PolarHBondContact O-N 3.05Å; W49-C52 HydrophobicContact CB-CB 3.77Å; W49-C52 PolarHBondContact O-N 3.4Å; W49-H70 WeakPolarHBondContact CB-NE2 3.37Å; W49-H70 AromaticContact CD1-CE1 3.4Å; W49-H70 VanDerWaalsContact CD1-CE1 3.4Å; W49-H70 AromaticContact CD1-CG 3.76Å; W49-H70 AromaticContact CD1-ND1 3.3Å; W49-H70 VanDerWaalsContact CD1-ND1 3.3Å; W49-H70 AromaticContact CD1-NE2 3.9Å; W49-H70 HydrophobicContact CD2-CB 3.69Å; W49-H70 AromaticContact CD2-CD2 3.76Å; W49-H70 AromaticContact CD2-CG 3.49Å; W49-H70 VanDerWaalsContact CD2-CG 3.49Å; W49-H70 AromaticContact CD2-ND1 3.87Å; W49-H70 AromaticContact CE2-CG 3.71Å; W49-H70 AromaticContact CE2-ND1 3.84Å; W49-H70 HydrophobicContact CE3-CB 3.86Å; W49-H70 AromaticContact CE3-CG 3.99Å; W49-H70 HydrophobicContact CG-CB 4.3Å; W49-H70 AromaticContact CG-CD2 3.58Å; W49-H70 AromaticContact CG-CE1 3.58Å; W49-H70 AromaticContact CG-CG 3.57Å; W49-H70 AromaticContact CG-ND1 3.57Å; W49-H70 AromaticContact CG-NE2 3.59Å; W49-H70 HydrophobicContact CH2-CB 3.99Å; W49-H70 HydrophobicContact CZ2-CB 3.83Å; W49-H70 HydrophobicContact CZ3-CB 4.01Å; W49-H70 AromaticContact NE1-CG 3.83Å; W49-H70 AromaticContact NE1-ND1 3.46Å; W49-H70 PolarHBondContact NE1-ND1 2.99Å; W49-Q74 VanDerWaalsContact CZ2-NE2 3.34Å; W49-L82 HydrophobicContact CD2-CB 4.33Å; W49-L82 HydrophobicContact CZ2-CB 3.84Å; W49-L82 HydrophobicContact CZ2-CD1 4.22Å; W49-L82 HydrophobicContact CZ2-CG 4.28Å; W49-W83 HydrophobicContact CE3-CE3 4.18Å; W49-M103 HydrophobicContact CE3-SD 4.44Å; W49-M103 HydrophobicContact CH2-SD 4.36Å; W49-M103 HydrophobicContact CZ3-SD 3.55Å; W49-M103 VanDerWaalsContact CZ3-SD 3.55Å
50D84.1Confident78.8Confident50 Ų5080.4 Ų80.427%0.26744%0.437SS..THydrogen-bonded Turntrans-57.2123.6178.3-164.627.4000111C52 L82 K84D50-C52 VanDerWaalsContact C-N 3.27Å; D50-C52 PolarHBondContact O-N 3.48Å; D50-L82 HydrophobicContact CB-CB 3.88Å; D50-L82 PolarHBondContact N-O 2.96Å; D50-K84 WeakPolarHBondContact OD1-CE 3.4Å; D50-K84 IonicContact OD1-NZ 3.63Å; D50-K84 PolarHBondContact OD1-NZ 3.11Å; D50-K84 IonicContact OD2-NZ 2.93Å
51Q81Confident80.9Confident187 Ų18780.1 Ų80.187%0.87443%0.429SS*.THydrogen-bonded Turntrans65.520.2-175.5-48.3173.314.300115.3W49W49-Q51 PolarHBondContact O-N 3.05Å
52C86.6Confident82.7Confident24 Ų2471.3 Ų71.316%0.16239%0.391CS..  trans-112.3133.6170.4-166.70000111.5W49 D50 H65 H70W49-C52 HydrophobicContact CB-CB 3.77Å; W49-C52 PolarHBondContact O-N 3.4Å; D50-C52 VanDerWaalsContact C-N 3.27Å; D50-C52 PolarHBondContact O-N 3.48Å; C52-H65 PolarHBondContact SG-NE2 3.02Å; C52-H70 WeakPolarHBondContact CB-NE2 3.34Å; C52-H70 PolarHBondContact SG-NE2 2.8Å
53Q82.8Confident84.2Confident195 Ų19564.7 Ų64.791%0.91136%0.355SS*.  trans-120.219.6176.1-83.9173.8-11.400112.7
54A85.8Confident85.1Confident25 Ų2563.4 Ų63.421%0.20735%0.349CS..  trans-67.9137.7179.900000112C47 F56 H65C47-A54 HydrophobicContact CB-CB 4.27Å; C47-A54 WeakPolarHBondContact CB-O 3.43Å; C47-A54 PolarHBondContact N-O 3.42Å; A54-F56 HydrophobicContact CB-CE2 3.56Å; A54-F56 HydrophobicContact CB-CZ 3.78Å; A54-H65 WeakPolarHBondContact CB-NE2 3.37Å
55C86.2Confident85.6Confident87 Ų8762 Ų6259%0.58833%0.333SS*.EExtended strand (participates in β ladder)trans-127.4139.5177.8580000110.8
56F85.8Confident85.9Confident45 Ų4558.1 Ų58.120%0.19732%0.318CS..EExtended strand (participates in β ladder)trans-131.7151.9-174.9-58.9-85.8000111.1Y45 A54 S58 D61 L62 H65Y45-F56 PolarHBondContact N-O 2.88Å; Y45-F56 PolarHBondContact O-N 3.49Å; A54-F56 HydrophobicContact CB-CE2 3.56Å; A54-F56 HydrophobicContact CB-CZ 3.78Å; F56-S58 VanDerWaalsContact C-N 3.35Å; F56-D61 HydrophobicContact CB-CB 4.14Å; F56-D61 HydrophobicContact CD1-CB 3.81Å; F56-D61 HydrophobicContact CG-CB 4.24Å; F56-L62 HydrophobicContact CB-CB 4.19Å; F56-L62 HydrophobicContact CD2-CB 3.82Å; F56-L62 HydrophobicContact CD2-CD1 3.62Å; F56-L62 HydrophobicContact CD2-CG 4.33Å; F56-L62 HydrophobicContact CE2-CD1 3.87Å; F56-L62 HydrophobicContact CG-CB 4.17Å; F56-H65 HydrophobicContact CE1-CB 3.92Å; F56-H65 HydrophobicContact CE2-CB 3.64Å; F56-H65 AromaticContact CE2-CD2 3.55Å; F56-H65 AromaticContact CE2-CG 3.5Å; F56-H65 HydrophobicContact CZ-CB 3.25Å; F56-H65 AromaticContact CZ-CD2 3.79Å; F56-H65 AromaticContact CZ-CG 3.24Å; F56-H65 AromaticContact CZ-ND1 3.62Å
57N84.5Confident86Confident124 Ų12457.5 Ų57.566%0.66331%0.308SS*.SBendtrans-92-1.1178-62-20.7000112.4
58S84.4Confident85.9Confident44 Ų4460.2 Ų60.231%0.30833%0.327SS..SBendtrans-141.9143-176-153.50000111.5Y45 F56 P60 D61 L62Y45-S58 VanDerWaalsContact CD2-C 3.44Å; F56-S58 VanDerWaalsContact C-N 3.35Å; S58-P60 VanDerWaalsContact OG-CD 3.31Å; S58-P60 WeakPolarHBondContact OG-CD 3.41Å; S58-D61 WeakPolarHBondContact CB-OD2 3.36Å; S58-D61 PolarHBondContact O-N 3.29Å; S58-L62 PolarHBondContact O-N 3.27Å
59S83.4Confident85.9Confident20 Ų2062.3 Ų62.314%0.1433%0.334CS..Hα-helixtrans-63.6-41.3177170.40000113.6L62 A63 S107S59-L62 PolarHBondContact O-N 3.27Å; S59-A63 PolarHBondContact O-N 2.89Å; S59-S107 PolarHBondContact OG-O 2.68Å
60P82.8Confident85.9Confident56 Ų5662.6 Ų62.636%0.36434%0.336SS..Hα-helixtrans-61.3-41.2173.4-2334.6000113S58 L62 A63 D64S58-P60 VanDerWaalsContact OG-CD 3.31Å; S58-P60 WeakPolarHBondContact OG-CD 3.41Å; P60-L62 PolarHBondContact O-N 3.28Å; P60-A63 CarbonylContact O-C 3.59Å; P60-A63 WeakPolarHBondContact O-CA 3.47Å; P60-A63 WeakPolarHBondContact O-CB 3.27Å; P60-A63 PolarHBondContact O-N 2.85Å; P60-D64 PolarHBondContact O-N 2.88Å
61D86.3Confident85.9Confident82 Ų8260.2 Ų60.244%0.43932%0.323SS..Hα-helixtrans-64.2-41.8-179.4-58.3-16.8000111.2F56 S58 A63 D64 H65F56-D61 HydrophobicContact CB-CB 4.14Å; F56-D61 HydrophobicContact CD1-CB 3.81Å; F56-D61 HydrophobicContact CG-CB 4.24Å; S58-D61 WeakPolarHBondContact CB-OD2 3.36Å; S58-D61 PolarHBondContact O-N 3.29Å; D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 2.86Å; D61-D64 PolarHBondContact O-N 3.07Å; D61-H65 WeakPolarHBondContact O-CB 3.32Å; D61-H65 PolarHBondContact O-N 3.2Å
62L87.4Confident86.1Confident4 Ų454.8 Ų54.82%0.02130%0.3CS..Hα-helixtrans-62-40.1171.8174.663.7000111.3C47 F56 S58 S59 P60 H65 I66C47-L62 HydrophobicContact CB-CD1 3.75Å; F56-L62 HydrophobicContact CB-CB 4.19Å; F56-L62 HydrophobicContact CD2-CB 3.82Å; F56-L62 HydrophobicContact CD2-CD1 3.62Å; F56-L62 HydrophobicContact CD2-CG 4.33Å; F56-L62 HydrophobicContact CE2-CD1 3.87Å; F56-L62 HydrophobicContact CG-CB 4.17Å; S58-L62 PolarHBondContact O-N 3.27Å; S59-L62 PolarHBondContact O-N 3.27Å; P60-L62 PolarHBondContact O-N 3.28Å; L62-H65 PolarHBondContact O-N 2.93Å; L62-I66 HydrophobicContact CD1-CD1 3.74Å; L62-I66 HydrophobicContact CD1-CG1 4.11Å; L62-I66 HydrophobicContact CD2-CD1 4.37Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 WeakPolarHBondContact O-CD1 3.41Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.91Å
63A86.9Confident85.9Confident1 Ų156.1 Ų56.11%0.00832%0.318CS..Hα-helixtrans-65.4-44.2178.900000111.9S59 P60 D61 I66 R67 D109S59-A63 PolarHBondContact O-N 2.89Å; P60-A63 CarbonylContact O-C 3.59Å; P60-A63 WeakPolarHBondContact O-CA 3.47Å; P60-A63 WeakPolarHBondContact O-CB 3.27Å; P60-A63 PolarHBondContact O-N 2.85Å; D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 2.86Å; A63-I66 PolarHBondContact O-N 3.1Å; A63-R67 VanDerWaalsContact O-CG 3.29Å; A63-R67 WeakPolarHBondContact O-CG 3.46Å; A63-R67 PolarHBondContact O-N 3.41Å; A63-D109 HydrophobicContact CB-CB 3.7Å; A63-D109 WeakPolarHBondContact CB-OD2 3.25Å
64D87.8Confident85.8Confident76 Ų7648.3 Ų48.341%0.40628%0.282SS..Hα-helixtrans-63.4-41175.9-77.8-38.7000111.8P60 D61 R67 S68P60-D64 PolarHBondContact O-N 2.88Å; D61-D64 PolarHBondContact O-N 3.07Å; D64-R67 PolarHBondContact O-N 3.47Å; D64-R67 IonicContact OD1-CZ 3.89Å; D64-R67 IonicContact OD1-NH1 3.6Å; D64-R67 PolarHBondContact OD1-NH1 3.28Å; D64-R67 IonicContact OD1-NH2 2.79Å; D64-R67 PolarHBondContact OD1-NH2 2.93Å; D64-S68 WeakPolarHBondContact O-CB 3.28Å; D64-S68 PolarHBondContact O-N 3.3Å; D64-S68 PolarHBondContact O-OG 2.89Å
65H89.6Confident85.2Confident28 Ų2858.5 Ų58.513%0.1332%0.315CS..Hα-helixtrans-58.9-49.3173.5166.675.4000112.3C52 A54 F56 D61 L62 R67 S68 I69 H70C52-H65 PolarHBondContact SG-NE2 3.02Å; A54-H65 WeakPolarHBondContact CB-NE2 3.37Å; F56-H65 HydrophobicContact CE1-CB 3.92Å; F56-H65 HydrophobicContact CE2-CB 3.64Å; F56-H65 AromaticContact CE2-CD2 3.55Å; F56-H65 AromaticContact CE2-CG 3.5Å; F56-H65 HydrophobicContact CZ-CB 3.25Å; F56-H65 AromaticContact CZ-CD2 3.79Å; F56-H65 AromaticContact CZ-CG 3.24Å; F56-H65 AromaticContact CZ-ND1 3.62Å; D61-H65 WeakPolarHBondContact O-CB 3.32Å; D61-H65 PolarHBondContact O-N 3.2Å; L62-H65 PolarHBondContact O-N 2.93Å; H65-R67 VanDerWaalsContact C-N 3.3Å; H65-R67 PolarHBondContact O-N 3.36Å; H65-S68 PolarHBondContact O-N 3.35Å; H65-S68 PolarHBondContact O-OG 3.35Å; H65-I69 WeakPolarHBondContact O-CB 3.39Å; H65-I69 PolarHBondContact O-N 3.26Å; H65-H70 AromaticContact NE2-CD2 3.93Å; H65-H70 AromaticContact NE2-NE2 3.39Å; H65-H70 PolarHBondContact NE2-NE2 3.17Å
66I88.1Confident84.4Confident0 Ų056.4 Ų56.40%031%0.307CS..Iπ-helixtrans-62.9-40.8-179.6-66.8158.7000110.5L62 A63 H70 V71 W83 M103 S107L62-I66 HydrophobicContact CD1-CD1 3.74Å; L62-I66 HydrophobicContact CD1-CG1 4.11Å; L62-I66 HydrophobicContact CD2-CD1 4.37Å; L62-I66 HydrophobicContact CG-CD1 3.73Å; L62-I66 WeakPolarHBondContact O-CD1 3.41Å; L62-I66 VanDerWaalsContact O-CG1 3.26Å; L62-I66 WeakPolarHBondContact O-CG1 3.31Å; L62-I66 PolarHBondContact O-N 2.91Å; A63-I66 PolarHBondContact O-N 3.1Å; I66-H70 HydrophobicContact CG2-CB 4.47Å; I66-H70 WeakPolarHBondContact O-CA 3.45Å; I66-H70 WeakPolarHBondContact O-CB 3.49Å; I66-H70 PolarHBondContact O-N 2.79Å; I66-H70 VanDerWaalsContact O-N 3.07Å; I66-V71 HydrophobicContact CG2-CG2 4.38Å; I66-V71 PolarHBondContact O-N 2.87Å; I66-W83 HydrophobicContact CD1-CH2 4.08Å; I66-W83 HydrophobicContact CD1-CZ3 3.54Å; I66-W83 HydrophobicContact CG1-CZ3 4.17Å; I66-M103 HydrophobicContact CG2-CB 3.78Å; I66-M103 HydrophobicContact CG2-CG 3.63Å; I66-M103 HydrophobicContact CG2-SD 3.95Å; I66-S107 WeakPolarHBondContact CD1-OG 3.32Å
67R88.1Confident84Confident81 Ų8157.1 Ų57.131%0.30633%0.328SS..Iπ-helixtrans-63.9-51.7178.7-72.4-168.9-92.2123.3-5112A63 D64 H65 V71 D72A63-R67 VanDerWaalsContact O-CG 3.29Å; A63-R67 WeakPolarHBondContact O-CG 3.46Å; A63-R67 PolarHBondContact O-N 3.41Å; D64-R67 PolarHBondContact O-N 3.47Å; D64-R67 IonicContact OD1-CZ 3.89Å; D64-R67 IonicContact OD1-NH1 3.6Å; D64-R67 PolarHBondContact OD1-NH1 3.28Å; D64-R67 IonicContact OD1-NH2 2.79Å; D64-R67 PolarHBondContact OD1-NH2 2.93Å; H65-R67 VanDerWaalsContact C-N 3.3Å; H65-R67 PolarHBondContact O-N 3.36Å; R67-V71 WeakPolarHBondContact O-CB 3.5Å; R67-V71 PolarHBondContact O-N 3.32Å; R67-D72 VanDerWaalsContact O-CG 3.32Å; R67-D72 PolarHBondContact O-N 3Å
68S87.8Confident84Confident65 Ų6555 Ų5546%0.45532%0.319SS..Iπ-helixtrans-73.3-39.3-173.754.90000113.8D64 H65D64-S68 WeakPolarHBondContact O-CB 3.28Å; D64-S68 PolarHBondContact O-N 3.3Å; D64-S68 PolarHBondContact O-OG 2.89Å; H65-S68 PolarHBondContact O-N 3.35Å; H65-S68 PolarHBondContact O-OG 3.35Å
69I86.9Confident84.3Confident99 Ų9953.8 Ų53.851%0.50831%0.308SS..Iπ-helixtrans-92.1-47-175-55.5-57.4000111.7H65H65-I69 WeakPolarHBondContact O-CB 3.39Å; H65-I69 PolarHBondContact O-N 3.26Å
70H87Confident84.5Confident21 Ų2154.1 Ų54.110%0.09731%0.309CS..Iπ-helixtrans-96.4-31.1-169.4-62.5-47000114.3W49 C52 H65 I66 Q74W49-H70 WeakPolarHBondContact CB-NE2 3.37Å; W49-H70 AromaticContact CD1-CE1 3.4Å; W49-H70 VanDerWaalsContact CD1-CE1 3.4Å; W49-H70 AromaticContact CD1-CG 3.76Å; W49-H70 AromaticContact CD1-ND1 3.3Å; W49-H70 VanDerWaalsContact CD1-ND1 3.3Å; W49-H70 AromaticContact CD1-NE2 3.9Å; W49-H70 HydrophobicContact CD2-CB 3.69Å; W49-H70 AromaticContact CD2-CD2 3.76Å; W49-H70 AromaticContact CD2-CG 3.49Å; W49-H70 VanDerWaalsContact CD2-CG 3.49Å; W49-H70 AromaticContact CD2-ND1 3.87Å; W49-H70 AromaticContact CE2-CG 3.71Å; W49-H70 AromaticContact CE2-ND1 3.84Å; W49-H70 HydrophobicContact CE3-CB 3.86Å; W49-H70 AromaticContact CE3-CG 3.99Å; W49-H70 HydrophobicContact CG-CB 4.3Å; W49-H70 AromaticContact CG-CD2 3.58Å; W49-H70 AromaticContact CG-CE1 3.58Å; W49-H70 AromaticContact CG-CG 3.57Å; W49-H70 AromaticContact CG-ND1 3.57Å; W49-H70 AromaticContact CG-NE2 3.59Å; W49-H70 HydrophobicContact CH2-CB 3.99Å; W49-H70 HydrophobicContact CZ2-CB 3.83Å; W49-H70 HydrophobicContact CZ3-CB 4.01Å; W49-H70 AromaticContact NE1-CG 3.83Å; W49-H70 AromaticContact NE1-ND1 3.46Å; W49-H70 PolarHBondContact NE1-ND1 2.99Å; C52-H70 WeakPolarHBondContact CB-NE2 3.34Å; C52-H70 PolarHBondContact SG-NE2 2.8Å; H65-H70 AromaticContact NE2-CD2 3.93Å; H65-H70 AromaticContact NE2-NE2 3.39Å; H65-H70 PolarHBondContact NE2-NE2 3.17Å; I66-H70 HydrophobicContact CG2-CB 4.47Å; I66-H70 WeakPolarHBondContact O-CA 3.45Å; I66-H70 WeakPolarHBondContact O-CB 3.49Å; I66-H70 PolarHBondContact O-N 2.79Å; I66-H70 VanDerWaalsContact O-N 3.07Å; H70-Q74 WeakPolarHBondContact O-CG 3.46Å; H70-Q74 PolarHBondContact O-NE2 2.76Å
71V85.5Confident84.9Confident0 Ų051.5 Ų51.50%029%0.292CS..Iπ-helixtrans-92.8-50.5-180-173.40000111.5I66 R67 G73 Q74 L99 Q100 M103I66-V71 HydrophobicContact CG2-CG2 4.38Å; I66-V71 PolarHBondContact O-N 2.87Å; R67-V71 WeakPolarHBondContact O-CB 3.5Å; R67-V71 PolarHBondContact O-N 3.32Å; V71-G73 VanDerWaalsContact C-N 3.27Å; V71-G73 PolarHBondContact O-N 3.06Å; V71-Q74 WeakPolarHBondContact O-CB 3.3Å; V71-Q74 PolarHBondContact O-N 3.49Å; V71-Q74 VanDerWaalsContact O-N 3.13Å; V71-L99 HydrophobicContact CB-CD2 4.49Å; V71-L99 HydrophobicContact CG1-CB 4.45Å; V71-L99 HydrophobicContact CG1-CD2 3.89Å; V71-L99 HydrophobicContact CG1-CG 4.06Å; V71-L99 HydrophobicContact CG2-CD2 4.32Å; V71-L99 HydrophobicContact CG2-CG 4.25Å; V71-Q100 HydrophobicContact CG1-CG 3.73Å; V71-M103 HydrophobicContact CG2-CG 3.52Å
72D85.4Confident85Confident74 Ų7449.7 Ų49.740%0.39628%0.282SS..THydrogen-bonded Turntrans-76.4-17.6-179.6-64.2-22000112.8R67 Q74 Q96 Q100R67-D72 VanDerWaalsContact O-CG 3.32Å; R67-D72 PolarHBondContact O-N 3Å; D72-Q74 PolarHBondContact O-N 2.84Å; D72-Q96 PolarHBondContact OD1-NE2 3.26Å; D72-Q100 PolarHBondContact OD1-NE2 2.87Å
73G80.8Confident85.1Confident52 Ų5250.8 Ų50.854%0.53629%0.286SS..THydrogen-bonded Turntrans-67.6-21.2166.900000113.5V71 R75V71-G73 VanDerWaalsContact C-N 3.27Å; V71-G73 PolarHBondContact O-N 3.06Å; G73-R75 PolarHBondContact O-N 2.89Å
74Q81.5Confident85.1Confident31 Ų3155.8 Ų55.815%0.14531%0.308CS..  trans-8578.7177-65.417930.700110.5W49 H70 V71 D72 G76 F79 V80W49-Q74 VanDerWaalsContact CZ2-NE2 3.34Å; H70-Q74 WeakPolarHBondContact O-CG 3.46Å; H70-Q74 PolarHBondContact O-NE2 2.76Å; V71-Q74 WeakPolarHBondContact O-CB 3.3Å; V71-Q74 PolarHBondContact O-N 3.49Å; V71-Q74 VanDerWaalsContact O-N 3.13Å; D72-Q74 PolarHBondContact O-N 2.84Å; Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.96Å; Q74-F79 HydrophobicContact CB-CD1 4.18Å; Q74-F79 VanDerWaalsContact O-CE1 3.23Å; Q74-F79 WeakPolarHBondContact O-CE1 3.47Å; Q74-V80 PolarHBondContact NE2-O 3.16Å; Q74-V80 PolarHBondContact OE1-O 3.48Å; Q74-V80 VanDerWaalsContact OE1-O 3.11Å
75R72.4Confident84.9Confident239 Ų23956.4 Ų56.490%0.90233%0.332SS*.  trans-82.58.7-179.5-68.6-169.8173.6-169.4-0.9115.1G73G73-R75 PolarHBondContact O-N 2.89Å
76G69.1Low84.8Confident42 Ų4255.8 Ų55.843%0.43333%0.331SS..SBendtrans-84.6148.9170.800000110.4Q74 V78Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.96Å; G76-V78 PolarHBondContact O-N 2.8Å
77G78.3Confident84.7Confident61 Ų6165.7 Ų65.763%0.62937%0.374SS*.SBendtrans-61.811.517200000115
78V85.5Confident84.6Confident78 Ų7863.7 Ų63.747%0.47337%0.371SS..  trans-127.3121.3176.9-176.20000108G76 V80 P92 S93G76-V78 PolarHBondContact O-N 2.8Å; V78-V80 HydrophobicContact CG1-CG1 4.41Å; V78-P92 HydrophobicContact CG1-CB 3.28Å; V78-S93 CarbonylContact C-O 3.58Å; V78-S93 WeakPolarHBondContact CA-O 3.49Å
79F89.1Confident84.6Confident19 Ų1964.9 Ų64.98%0.08337%0.366CS..BIsolated β-bridgetrans-110.1124.4-177.7-60.9-79.3000109.3Q74 S93 Q96 L99Q74-F79 HydrophobicContact CB-CD1 4.18Å; Q74-F79 VanDerWaalsContact O-CE1 3.23Å; Q74-F79 WeakPolarHBondContact O-CE1 3.47Å; F79-S93 WeakPolarHBondContact CD2-O 3.41Å; F79-S93 PolarHBondContact N-O 2.8Å; F79-S93 WeakPolarHBondContact O-CB 3.46Å; F79-S93 PolarHBondContact O-N 3.44Å; F79-Q96 HydrophobicContact CD1-CB 4.14Å; F79-Q96 HydrophobicContact CD1-CG 4.06Å; F79-Q96 HydrophobicContact CD2-CB 4.14Å; F79-Q96 VanDerWaalsContact CD2-N 3.3Å; F79-Q96 HydrophobicContact CE1-CB 3.64Å; F79-Q96 HydrophobicContact CE1-CG 3.52Å; F79-Q96 HydrophobicContact CE2-CB 3.65Å; F79-Q96 HydrophobicContact CE2-CG 4.47Å; F79-Q96 HydrophobicContact CG-CB 4.38Å; F79-Q96 HydrophobicContact CZ-CB 3.39Å; F79-Q96 HydrophobicContact CZ-CG 3.77Å; F79-L99 HydrophobicContact CB-CB 4.05Å; F79-L99 HydrophobicContact CB-CD2 3.7Å; F79-L99 HydrophobicContact CB-CG 4.45Å; F79-L99 HydrophobicContact CD1-CD2 4.28Å; F79-L99 HydrophobicContact CG-CD2 4.44Å
80V89.2Confident84.6Confident28 Ų2864.9 Ų64.917%0.1737%0.367CS..  trans-123.5145.7-177.8-67.50000111.2Q74 V78 L82 P92Q74-V80 PolarHBondContact NE2-O 3.16Å; Q74-V80 PolarHBondContact OE1-O 3.48Å; Q74-V80 VanDerWaalsContact OE1-O 3.11Å; V78-V80 HydrophobicContact CG1-CG1 4.41Å; V80-L82 HydrophobicContact CG2-CD1 4.49Å; V80-L82 HydrophobicContact CG2-CG 4.43Å; V80-P92 HydrophobicContact CG1-CB 4.38Å
81C90.3Very high84.6Confident0 Ų066.5 Ų66.50%038%0.378CS..BIsolated β-bridgetrans-99119.9171.1-179.20000109.4W83 Y89 N90 L99 M103C81-W83 WeakPolarHBondContact SG-CB 3.37Å; C81-Y89 WeakPolarHBondContact O-CA 3.44Å; C81-N90 PolarHBondContact O-N 2.99Å; C81-L99 HydrophobicContact CB-CD1 4.02Å; C81-M103 HydrophobicContact CB-CE 4.06Å; C81-M103 VanDerWaalsContact SG-CE 3.55Å
82L89.1Confident84.7Confident45 Ų4571.2 Ų71.224%0.23641%0.409CS..  trans-104.627.6176.4-64.9158.7000111.8W49 D50 V80 Y89W49-L82 HydrophobicContact CD2-CB 4.33Å; W49-L82 HydrophobicContact CZ2-CB 3.84Å; W49-L82 HydrophobicContact CZ2-CD1 4.22Å; W49-L82 HydrophobicContact CZ2-CG 4.28Å; D50-L82 HydrophobicContact CB-CB 3.88Å; D50-L82 PolarHBondContact N-O 2.96Å; V80-L82 HydrophobicContact CG2-CD1 4.49Å; V80-L82 HydrophobicContact CG2-CG 4.43Å; L82-Y89 HydrophobicContact CB-CE2 4.37Å; L82-Y89 HydrophobicContact CD2-CE2 4.34Å
83W89.5Confident84.8Confident26 Ų2668.7 Ų68.710%0.09840%0.397CS..BIsolated β-bridgetrans-76.5127.6179.8-171.8-78.4000111.7C48 W49 I66 C81 G85 C86 Y89 H106C48-W83 HydrophobicContact CB-CD2 4.28Å; C48-W83 HydrophobicContact CB-CH2 4.26Å; C48-W83 HydrophobicContact CB-CZ2 3.69Å; W49-W83 HydrophobicContact CE3-CE3 4.18Å; I66-W83 HydrophobicContact CD1-CH2 4.08Å; I66-W83 HydrophobicContact CD1-CZ3 3.54Å; I66-W83 HydrophobicContact CG1-CZ3 4.17Å; C81-W83 WeakPolarHBondContact SG-CB 3.37Å; W83-G85 PolarHBondContact O-N 3.35Å; W83-C86 HydrophobicContact CB-CB 3.98Å; W83-C86 WeakPolarHBondContact O-CB 3.41Å; W83-C86 PolarHBondContact O-N 2.99Å; W83-C86 VanDerWaalsContact O-N 3.09Å; W83-Y89 WeakPolarHBondContact O-CD2 3.45Å; W83-H106 AromaticContact CD1-CE1 3.54Å; W83-H106 AromaticContact CD1-CG 3.97Å; W83-H106 AromaticContact CD1-ND1 3.6Å; W83-H106 AromaticContact CD1-NE2 3.94Å; W83-H106 HydrophobicContact CD2-CB 3.77Å; W83-H106 AromaticContact CD2-CD2 3.75Å; W83-H106 AromaticContact CD2-CG 3.59Å; W83-H106 AromaticContact CE2-CG 3.75Å; W83-H106 AromaticContact CE2-ND1 3.92Å; W83-H106 HydrophobicContact CE3-CB 3.89Å; W83-H106 HydrophobicContact CG-CB 4.45Å; W83-H106 AromaticContact CG-CD2 3.65Å; W83-H106 AromaticContact CG-CE1 3.72Å; W83-H106 AromaticContact CG-CG 3.76Å; W83-H106 AromaticContact CG-ND1 3.85Å; W83-H106 AromaticContact CG-NE2 3.63Å; W83-H106 HydrophobicContact CH2-CB 3.91Å; W83-H106 HydrophobicContact CZ2-CB 3.78Å; W83-H106 HydrophobicContact CZ3-CB 3.97Å; W83-H106 AromaticContact NE1-CG 3.96Å; W83-H106 AromaticContact NE1-ND1 3.64Å
84K86.1Confident85.1Confident106 Ų10672.4 Ų72.446%0.46141%0.409SS..THydrogen-bonded Turntrans-63.1125.2-179-60.1-62.5179.3-175.20110.8C48 D50 C86C48-K84 HydrophobicContact CB-CB 4.47Å; C48-K84 WeakPolarHBondContact O-CG 3.41Å; C48-K84 PolarHBondContact O-N 3.32Å; D50-K84 WeakPolarHBondContact OD1-CE 3.4Å; D50-K84 IonicContact OD1-NZ 3.63Å; D50-K84 PolarHBondContact OD1-NZ 3.11Å; D50-K84 IonicContact OD2-NZ 2.93Å; K84-C86 VanDerWaalsContact C-N 3.34Å
85G83Confident85.5Confident89 Ų8972.8 Ų72.892%0.91842%0.416SS*.THydrogen-bonded Turntrans80.29.9-177.300000114.9W83W83-G85 PolarHBondContact O-N 3.35Å
86C88.3Confident86.1Confident15 Ų1565.6 Ų65.610%0.10139%0.392CS..  trans-73.5137.3174.8-173.50000112W83 K84 V88 Y89 H102 H106W83-C86 HydrophobicContact CB-CB 3.98Å; W83-C86 WeakPolarHBondContact O-CB 3.41Å; W83-C86 PolarHBondContact O-N 2.99Å; W83-C86 VanDerWaalsContact O-N 3.09Å; K84-C86 VanDerWaalsContact C-N 3.34Å; C86-V88 PolarHBondContact O-N 2.85Å; C86-V88 WeakPolarHBondContact SG-CG2 3.3Å; C86-V88 PolarHBondContact SG-N 3.29Å; C86-Y89 WeakPolarHBondContact O-CB 3.42Å; C86-Y89 PolarHBondContact O-N 2.92Å; C86-H102 PolarHBondContact SG-CE1 2.9Å; C86-H102 PolarHBondContact SG-NE2 3.47Å; C86-H106 PolarHBondContact SG-NE2 3.47Å
87K85.5Confident87Confident209 Ų20968 Ų6891%0.90940%0.402SS*.THydrogen-bonded Turntrans-60.7-27.1175.7-175.8171.5-178.3177.40113.5
88V86.1Confident87.5Confident39 Ų3968.6 Ų68.624%0.23639%0.386CS..THydrogen-bonded Turntrans-114.737-177.7-67.40000110.6C86 N90 T91 W98 H102C86-V88 PolarHBondContact O-N 2.85Å; C86-V88 WeakPolarHBondContact SG-CG2 3.3Å; C86-V88 PolarHBondContact SG-N 3.29Å; V88-N90 PolarHBondContact O-N 3.37Å; V88-T91 HydrophobicContact CB-CG2 4.4Å; V88-T91 WeakPolarHBondContact CB-OG1 3.13Å; V88-T91 PolarHBondContact O-N 3.24Å; V88-T91 PolarHBondContact O-OG1 3.08Å; V88-W98 HydrophobicContact CB-CH2 4.38Å; V88-W98 HydrophobicContact CG2-CH2 3.92Å; V88-W98 HydrophobicContact CG2-CZ2 4.4Å; V88-H102 WeakPolarHBondContact CG2-NE2 3.26Å
89Y88.4Confident87.6Confident90 Ų9064.9 Ų64.935%0.35336%0.363SS..BIsolated β-bridgetrans-59.8129.7178-177.4-97.7000111.4C81 L82 W83 C86 T91C81-Y89 WeakPolarHBondContact O-CA 3.44Å; L82-Y89 HydrophobicContact CB-CE2 4.37Å; L82-Y89 HydrophobicContact CD2-CE2 4.34Å; W83-Y89 WeakPolarHBondContact O-CD2 3.45Å; C86-Y89 WeakPolarHBondContact O-CB 3.42Å; C86-Y89 PolarHBondContact O-N 2.92Å; Y89-T91 PolarHBondContact O-N 2.74Å
90N86.3Confident87.5Confident98 Ų9865.9 Ų65.952%0.52437%0.368SS..THydrogen-bonded Turntrans5322.8-179.8-160.326.1000115.1C81 V88C81-N90 PolarHBondContact O-N 2.99Å; V88-N90 PolarHBondContact O-N 3.37Å
91T87.8Confident87.3Confident56 Ų5669.6 Ų69.634%0.34438%0.379SS..  trans-86.6123.6175.760.90000110.1V88 Y89V88-T91 HydrophobicContact CB-CG2 4.4Å; V88-T91 WeakPolarHBondContact CB-OG1 3.13Å; V88-T91 PolarHBondContact O-N 3.24Å; V88-T91 PolarHBondContact O-OG1 3.08Å; Y89-T91 PolarHBondContact O-N 2.74Å
92P87Confident87.2Confident98 Ų9870.6 Ų70.664%0.63638%0.383SS*.  trans-71.4133.5-179.528-33.9000111.8V78 V80V78-P92 HydrophobicContact CG1-CB 3.28Å; V80-P92 HydrophobicContact CG1-CB 4.38Å
93S87.1Confident87.1Confident22 Ų2268.5 Ų68.515%0.15437%0.373CS..BIsolated β-bridgetrans-124.7140.8172.6176.50000110.1V78 F79 S95V78-S93 CarbonylContact C-O 3.58Å; V78-S93 WeakPolarHBondContact CA-O 3.49Å; F79-S93 WeakPolarHBondContact CD2-O 3.41Å; F79-S93 PolarHBondContact N-O 2.8Å; F79-S93 WeakPolarHBondContact O-CB 3.46Å; F79-S93 PolarHBondContact O-N 3.44Å; S93-S95 PolarHBondContact O-N 3.1Å; S93-S95 PolarHBondContact OG-N 3.28Å
94T88Confident86.9Confident129 Ų12968.2 Ų68.279%0.79137%0.373SS*.SBendtrans-85.53.8175.353.30000113
95S88.3Confident86.7Confident40 Ų4067.6 Ų67.628%0.2838%0.378SS..  trans-120.3109.4-173.7177.40000112.1S93 S97 W98 L99S93-S95 PolarHBondContact O-N 3.1Å; S93-S95 PolarHBondContact OG-N 3.28Å; S95-S97 VanDerWaalsContact C-N 3.34Å; S95-S97 PolarHBondContact O-N 3.22Å; S95-S97 PolarHBondContact OG-OG 3.48Å; S95-S97 VanDerWaalsContact OG-OG 3.09Å; S95-W98 WeakPolarHBondContact O-CB 3.32Å; S95-W98 PolarHBondContact O-N 2.99Å; S95-W98 PolarHBondContact OG-N 3.18Å; S95-L99 PolarHBondContact O-N 2.81Å
96Q86.9Confident86.8Confident88 Ų8865.5 Ų65.541%0.41134%0.344SS..Hα-helixtrans-60.6-43.4173.6-166.9176-5.500111.7D72 F79 W98 L99 Q100D72-Q96 PolarHBondContact OD1-NE2 3.26Å; F79-Q96 HydrophobicContact CD1-CB 4.14Å; F79-Q96 HydrophobicContact CD1-CG 4.06Å; F79-Q96 HydrophobicContact CD2-CB 4.14Å; F79-Q96 VanDerWaalsContact CD2-N 3.3Å; F79-Q96 HydrophobicContact CE1-CB 3.64Å; F79-Q96 HydrophobicContact CE1-CG 3.52Å; F79-Q96 HydrophobicContact CE2-CB 3.65Å; F79-Q96 HydrophobicContact CE2-CG 4.47Å; F79-Q96 HydrophobicContact CG-CB 4.38Å; F79-Q96 HydrophobicContact CZ-CB 3.39Å; F79-Q96 HydrophobicContact CZ-CG 3.77Å; Q96-W98 PolarHBondContact O-N 3.12Å; Q96-L99 PolarHBondContact O-N 3.06Å; Q96-Q100 HydrophobicContact CG-CG 4.4Å; Q96-Q100 WeakPolarHBondContact O-CG 3.29Å; Q96-Q100 PolarHBondContact O-N 2.88Å
97S87.3Confident86.3Confident91 Ų9165 Ų6564%0.63634%0.341SS*.Hα-helixtrans-63.2-30.2179.858.40000112.4S95 R101S95-S97 VanDerWaalsContact C-N 3.34Å; S95-S97 PolarHBondContact O-N 3.22Å; S95-S97 PolarHBondContact OG-OG 3.48Å; S95-S97 VanDerWaalsContact OG-OG 3.09Å; S97-R101 WeakPolarHBondContact O-CB 3.26Å; S97-R101 PolarHBondContact O-N 3.48Å
98W88.9Confident86Confident75 Ų7557.2 Ų57.228%0.28432%0.32SS..Hα-helixtrans-67-45.3170.7175.8100.9000111.8V88 S95 Q96 R101 H102V88-W98 HydrophobicContact CB-CH2 4.38Å; V88-W98 HydrophobicContact CG2-CH2 3.92Å; V88-W98 HydrophobicContact CG2-CZ2 4.4Å; S95-W98 WeakPolarHBondContact O-CB 3.32Å; S95-W98 PolarHBondContact O-N 2.99Å; S95-W98 PolarHBondContact OG-N 3.18Å; Q96-W98 PolarHBondContact O-N 3.12Å; W98-R101 PolarHBondContact O-N 3Å; W98-H102 AromaticContact CH2-CD2 3.93Å; W98-H102 VanDerWaalsContact O-CB 3.3Å; W98-H102 WeakPolarHBondContact O-CB 3.26Å; W98-H102 PolarHBondContact O-N 2.89Å
99L88.2Confident85.6Confident0 Ų056.6 Ų56.60%032%0.316CS..Hα-helixtrans-65.7-46.4-179.6-178.163.4000111V71 F79 C81 S95 Q96 R101 H102 M103V71-L99 HydrophobicContact CB-CD2 4.49Å; V71-L99 HydrophobicContact CG1-CB 4.45Å; V71-L99 HydrophobicContact CG1-CD2 3.89Å; V71-L99 HydrophobicContact CG1-CG 4.06Å; V71-L99 HydrophobicContact CG2-CD2 4.32Å; V71-L99 HydrophobicContact CG2-CG 4.25Å; F79-L99 HydrophobicContact CB-CB 4.05Å; F79-L99 HydrophobicContact CB-CD2 3.7Å; F79-L99 HydrophobicContact CB-CG 4.45Å; F79-L99 HydrophobicContact CD1-CD2 4.28Å; F79-L99 HydrophobicContact CG-CD2 4.44Å; C81-L99 HydrophobicContact CB-CD1 4.02Å; S95-L99 PolarHBondContact O-N 2.81Å; Q96-L99 PolarHBondContact O-N 3.06Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 2.78Å; L99-H102 WeakPolarHBondContact O-CA 3.4Å; L99-H102 WeakPolarHBondContact O-CB 3.49Å; L99-H102 PolarHBondContact O-N 2.85Å; L99-M103 HydrophobicContact CD1-CE 3.57Å; L99-M103 HydrophobicContact CD1-SD 4.32Å; L99-M103 WeakPolarHBondContact O-CG 3.5Å; L99-M103 PolarHBondContact O-N 3.4Å
100Q86.4Confident85.2Confident40 Ų4057.6 Ų57.619%0.18732%0.322CS..Hα-helixtrans-51.4-50.6174.5-77.2-71.5-14.700111.8V71 D72 Q96 H102 M103V71-Q100 HydrophobicContact CG1-CG 3.73Å; D72-Q100 PolarHBondContact OD1-NE2 2.87Å; Q96-Q100 HydrophobicContact CG-CG 4.4Å; Q96-Q100 WeakPolarHBondContact O-CG 3.29Å; Q96-Q100 PolarHBondContact O-N 2.88Å; Q100-H102 PolarHBondContact O-N 2.88Å; Q100-M103 PolarHBondContact O-N 3.25Å
101R85.4Confident84.8Confident106 Ų10656.3 Ų56.340%0.432%0.318SS..Hα-helixtrans-68.1-33.9176.6179-1774657.411112.7S97 W98 L99 M103 L104S97-R101 WeakPolarHBondContact O-CB 3.26Å; S97-R101 PolarHBondContact O-N 3.48Å; W98-R101 PolarHBondContact O-N 3Å; L99-R101 VanDerWaalsContact C-N 3.35Å; L99-R101 PolarHBondContact O-N 2.78Å; R101-M103 VanDerWaalsContact C-N 3.3Å; R101-L104 WeakPolarHBondContact O-CB 3.32Å; R101-L104 PolarHBondContact O-N 2.75Å
102H87.4Confident84.5Confident20 Ų2057 Ų579%0.09332%0.317CS..Hα-helixtrans-64.7-36.9176.917434.4000110.9C86 V88 W98 L99 Q100 L104 T105 H106C86-H102 PolarHBondContact SG-CE1 2.9Å; C86-H102 PolarHBondContact SG-NE2 3.47Å; V88-H102 WeakPolarHBondContact CG2-NE2 3.26Å; W98-H102 AromaticContact CH2-CD2 3.93Å; W98-H102 VanDerWaalsContact O-CB 3.3Å; W98-H102 WeakPolarHBondContact O-CB 3.26Å; W98-H102 PolarHBondContact O-N 2.89Å; L99-H102 WeakPolarHBondContact O-CA 3.4Å; L99-H102 WeakPolarHBondContact O-CB 3.49Å; L99-H102 PolarHBondContact O-N 2.85Å; Q100-H102 PolarHBondContact O-N 2.88Å; H102-L104 PolarHBondContact O-N 2.72Å; H102-T105 PolarHBondContact ND1-OG1 3.11Å; H102-T105 WeakPolarHBondContact O-CB 3.21Å; H102-T105 PolarHBondContact O-N 2.83Å; H102-T105 PolarHBondContact O-OG1 2.95Å; H102-H106 AromaticContact CE1-NE2 3.46Å; H102-H106 PolarHBondContact CE1-NE2 3.44Å; H102-H106 AromaticContact NE2-NE2 3.55Å
103M86.8Confident84.4Confident2 Ų259.5 Ų59.51%0.0132%0.318CS..Hα-helixtrans-64.5-27.5-179.6-66.4-48.189.900113.8W49 I66 V71 C81 L99 Q100 R101 T105 H106 S107W49-M103 HydrophobicContact CE3-SD 4.44Å; W49-M103 HydrophobicContact CH2-SD 4.36Å; W49-M103 HydrophobicContact CZ3-SD 3.55Å; W49-M103 VanDerWaalsContact CZ3-SD 3.55Å; I66-M103 HydrophobicContact CG2-CB 3.78Å; I66-M103 HydrophobicContact CG2-CG 3.63Å; I66-M103 HydrophobicContact CG2-SD 3.95Å; V71-M103 HydrophobicContact CG2-CG 3.52Å; C81-M103 HydrophobicContact CB-CE 4.06Å; C81-M103 VanDerWaalsContact SG-CE 3.55Å; L99-M103 HydrophobicContact CD1-CE 3.57Å; L99-M103 HydrophobicContact CD1-SD 4.32Å; L99-M103 WeakPolarHBondContact O-CG 3.5Å; L99-M103 PolarHBondContact O-N 3.4Å; Q100-M103 PolarHBondContact O-N 3.25Å; R101-M103 VanDerWaalsContact C-N 3.3Å; M103-T105 PolarHBondContact O-N 2.88Å; M103-T105 VanDerWaalsContact O-N 3.13Å; M103-H106 PolarHBondContact O-N 3.02Å; M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 2.89Å
104L85.1Confident84.6Confident20 Ų2059.1 Ų59.111%0.10532%0.315CS..Hα-helixtrans-59.1-24.5172.7-61.8170.1000112.8R101 H102 H106 G108 D109 P111 A124R101-L104 WeakPolarHBondContact O-CB 3.32Å; R101-L104 PolarHBondContact O-N 2.75Å; H102-L104 PolarHBondContact O-N 2.72Å; L104-H106 VanDerWaalsContact C-N 3.28Å; L104-H106 PolarHBondContact O-N 3.04Å; L104-G108 WeakPolarHBondContact O-CA 3.24Å; L104-G108 PolarHBondContact O-N 2.95Å; L104-G108 VanDerWaalsContact O-N 3.08Å; L104-D109 HydrophobicContact CD2-CB 4.07Å; L104-P111 HydrophobicContact CD1-CG 4.46Å; L104-A124 HydrophobicContact CB-CB 3.96Å; L104-A124 HydrophobicContact CD1-CB 4.19Å; L104-A124 WeakPolarHBondContact CD1-O 3.05Å
105T82.8Confident84.6Confident93 Ų9359.7 Ų59.757%0.57132%0.318SS*.Hα-helixtrans-72.4-24.1174.967.90000112.9H102 M103H102-T105 PolarHBondContact ND1-OG1 3.11Å; H102-T105 WeakPolarHBondContact O-CB 3.21Å; H102-T105 PolarHBondContact O-N 2.83Å; H102-T105 PolarHBondContact O-OG1 2.95Å; M103-T105 PolarHBondContact O-N 2.88Å; M103-T105 VanDerWaalsContact O-N 3.13Å
106H83.8Confident84.4Confident44 Ų4459.9 Ų59.920%0.20432%0.317CS..Hα-helixtrans-89.8-44.2178.6-63.4-45.7000111.4W83 C86 H102 M103 L104 G108W83-H106 AromaticContact CD1-CE1 3.54Å; W83-H106 AromaticContact CD1-CG 3.97Å; W83-H106 AromaticContact CD1-ND1 3.6Å; W83-H106 AromaticContact CD1-NE2 3.94Å; W83-H106 HydrophobicContact CD2-CB 3.77Å; W83-H106 AromaticContact CD2-CD2 3.75Å; W83-H106 AromaticContact CD2-CG 3.59Å; W83-H106 AromaticContact CE2-CG 3.75Å; W83-H106 AromaticContact CE2-ND1 3.92Å; W83-H106 HydrophobicContact CE3-CB 3.89Å; W83-H106 HydrophobicContact CG-CB 4.45Å; W83-H106 AromaticContact CG-CD2 3.65Å; W83-H106 AromaticContact CG-CE1 3.72Å; W83-H106 AromaticContact CG-CG 3.76Å; W83-H106 AromaticContact CG-ND1 3.85Å; W83-H106 AromaticContact CG-NE2 3.63Å; W83-H106 HydrophobicContact CH2-CB 3.91Å; W83-H106 HydrophobicContact CZ2-CB 3.78Å; W83-H106 HydrophobicContact CZ3-CB 3.97Å; W83-H106 AromaticContact NE1-CG 3.96Å; W83-H106 AromaticContact NE1-ND1 3.64Å; C86-H106 PolarHBondContact SG-NE2 3.47Å; H102-H106 AromaticContact CE1-NE2 3.46Å; H102-H106 PolarHBondContact CE1-NE2 3.44Å; H102-H106 AromaticContact NE2-NE2 3.55Å; M103-H106 PolarHBondContact O-N 3.02Å; L104-H106 VanDerWaalsContact C-N 3.28Å; L104-H106 PolarHBondContact O-N 3.04Å; H106-G108 PolarHBondContact O-N 2.89Å
107S79.6Confident84.1Confident6 Ų659.4 Ų59.44%0.04234%0.336CS..Hα-helixtrans-71.7-18.4177.4-42.80000113.4S59 I66 M103 D109S59-S107 PolarHBondContact OG-O 2.68Å; I66-S107 WeakPolarHBondContact CD1-OG 3.32Å; M103-S107 PolarHBondContact O-N 3.22Å; M103-S107 PolarHBondContact O-OG 2.89Å; S107-D109 PolarHBondContact O-N 3Å; S107-D109 VanDerWaalsContact O-N 3.15Å
108G78.1Confident83.7Confident45 Ų4559.2 Ų59.246%0.46435%0.348SS..  trans69.82.2-17300000114.1L104 H106L104-G108 WeakPolarHBondContact O-CA 3.24Å; L104-G108 PolarHBondContact O-N 2.95Å; L104-G108 VanDerWaalsContact O-N 3.08Å; H106-G108 PolarHBondContact O-N 2.89Å
109D77.9Confident83.6Confident26 Ų2656.7 Ų56.714%0.13934%0.342CS..  trans-70.7133.5-177.4-174.320.5000110.9A63 L104 S107A63-D109 HydrophobicContact CB-CB 3.7Å; A63-D109 WeakPolarHBondContact CB-OD2 3.25Å; L104-D109 HydrophobicContact CD2-CB 4.07Å; S107-D109 PolarHBondContact O-N 3Å; S107-D109 VanDerWaalsContact O-N 3.15Å
110K80.8Confident83.4Confident111 Ų11164.2 Ų64.248%0.48338%0.382SS..  trans-132.279.9-172.6-71166.6175.5-165.10108.4F112 S122 F123K110-F112 PolarHBondContact O-N 3.34Å; K110-S122 WeakPolarHBondContact CD-O 3.26Å; K110-F123 CarbonylContact C-O 3.55Å
111P77.3Confident83.3Confident70 Ų7063.8 Ų63.846%0.45539%0.385SS..  trans-68-22.1-172.424.1-33000113L104 K113L104-P111 HydrophobicContact CD1-CG 4.46Å; P111-K113 PolarHBondContact O-N 3.33Å
112F82Confident83.3Confident71 Ų7160.4 Ų60.431%0.31138%0.378SS..EExtended strand (participates in β ladder)trans-9489-175.8-56.2-78.5000111.2K110 S122 F123 Q126 L129K110-F112 PolarHBondContact O-N 3.34Å; F112-S122 CarbonylContact O-C 3.59Å; F112-S122 WeakPolarHBondContact O-CA 3.27Å; F112-F123 HydrophobicContact CB-CB 4.27Å; F112-F123 WeakPolarHBondContact CB-O 2.98Å; F112-F123 WeakPolarHBondContact CD2-O 3.48Å; F112-F123 PolarHBondContact N-O 3.19Å; F112-F123 PolarHBondContact O-N 3.39Å; F112-Q126 HydrophobicContact CD1-CB 4.34Å; F112-Q126 HydrophobicContact CE1-CB 4.02Å; F112-Q126 HydrophobicContact CZ-CB 4.24Å; F112-L129 HydrophobicContact CB-CB 4.21Å; F112-L129 HydrophobicContact CB-CD2 4.1Å
113K85.2Confident83.1Confident151 Ų15161.7 Ų61.766%0.65738%0.383SS*.EExtended strand (participates in β ladder)trans-80.6146174.9-57.5-172179.61750111.2P111P111-K113 PolarHBondContact O-N 3.33Å
114C90.6Very high82.7Confident14 Ų1463.1 Ų63.110%0.09540%0.395CS..  trans-67136.2171.3-166.70000110.3V116 C119 A121 L129 H136C114-V116 VanDerWaalsContact C-N 3.34Å; C114-C119 HydrophobicContact CB-CB 4.05Å; C114-A121 WeakPolarHBondContact CB-O 3.45Å; C114-A121 PolarHBondContact N-O 3.29Å; C114-L129 HydrophobicContact CB-CD1 4.38Å; C114-H136 PolarHBondContact SG-NE2 3.16Å
115V87.3Confident82.6Confident141 Ų14164 Ų6486%0.85540%0.403SS*.  trans-86.7-10.6179.2-174.10000111.6G117V115-G117 PolarHBondContact O-N 3.06Å
116V85.1Confident82.7Confident44 Ų4466.3 Ų66.327%0.26741%0.407SS..SBendtrans-74.3123.8-179-1780000109.9C114 G118 C119 H136C114-V116 VanDerWaalsContact C-N 3.34Å; V116-G118 PolarHBondContact O-N 2.93Å; V116-C119 HydrophobicContact CB-CB 4.39Å; V116-C119 WeakPolarHBondContact O-CB 3.49Å; V116-C119 PolarHBondContact O-N 3.34Å; V116-C119 VanDerWaalsContact O-N 3.07Å; V116-H136 HydrophobicContact CG1-CB 4.13Å; V116-H136 HydrophobicContact CG2-CB 4.12Å
117G79.4Confident82.8Confident77 Ų7766.8 Ų66.879%0.79442%0.424SS*.THydrogen-bonded Turntrans-56.6133177.600000112V115 C119V115-G117 PolarHBondContact O-N 3.06Å; G117-C119 VanDerWaalsContact C-N 3.34Å
118G80.6Confident83.1Confident87 Ų8767.2 Ų67.290%0.89743%0.429SS*.THydrogen-bonded Turntrans86.2-3.5-175.100000114.9V116V116-G118 PolarHBondContact O-N 2.93Å
119C86.9Confident83.6Confident22 Ų2266.5 Ų66.515%0.14942%0.415CS..  trans-105.7112.9174.7-171.90000112C114 V116 G117 A121 H132 H136C114-C119 HydrophobicContact CB-CB 4.05Å; V116-C119 HydrophobicContact CB-CB 4.39Å; V116-C119 WeakPolarHBondContact O-CB 3.49Å; V116-C119 PolarHBondContact O-N 3.34Å; V116-C119 VanDerWaalsContact O-N 3.07Å; G117-C119 VanDerWaalsContact C-N 3.34Å; C119-A121 VanDerWaalsContact C-N 3.3Å; C119-A121 PolarHBondContact O-N 3.36Å; C119-A121 WeakPolarHBondContact SG-CB 3.26Å; C119-A121 PolarHBondContact SG-N 3.27Å; C119-H132 PolarHBondContact SG-NE2 3.03Å; C119-H136 VanDerWaalsContact CB-CE1 3.42Å; C119-H136 WeakPolarHBondContact CB-CE1 3.35Å; C119-H136 PolarHBondContact SG-CE1 3.02Å
120N83.6Confident84.1Confident159 Ų15968.3 Ų68.385%0.8543%0.433SS*.  trans-91.614.8174.3-66-27.6000113.1S122N120-S122 PolarHBondContact O-N 2.86Å
121A83.8Confident84.4Confident30 Ų3072.9 Ų72.925%0.24845%0.447CS..  trans-70.3128.6-178.800000111C114 C119 F123C114-A121 WeakPolarHBondContact CB-O 3.45Å; C114-A121 PolarHBondContact N-O 3.29Å; C119-A121 VanDerWaalsContact C-N 3.3Å; C119-A121 PolarHBondContact O-N 3.36Å; C119-A121 WeakPolarHBondContact SG-CB 3.26Å; C119-A121 PolarHBondContact SG-N 3.27Å; A121-F123 HydrophobicContact CB-CE2 3.84Å; A121-F123 HydrophobicContact CB-CZ 3.83Å
122S85.1Confident85Confident35 Ų3571.1 Ų71.125%0.24543%0.433CS..EExtended strand (participates in β ladder)trans-124.7140.7177.5-52.30000110.1K110 F112 N120K110-S122 WeakPolarHBondContact CD-O 3.26Å; F112-S122 CarbonylContact O-C 3.59Å; F112-S122 WeakPolarHBondContact O-CA 3.27Å; N120-S122 PolarHBondContact O-N 2.86Å
123F83.6Confident85.3Confident48 Ų4870 Ų7021%0.21143%0.432CS..EExtended strand (participates in β ladder)trans-122.4147.7-173-57.1-86.7000111K110 F112 A121 S125 L129 H132K110-F123 CarbonylContact C-O 3.55Å; F112-F123 HydrophobicContact CB-CB 4.27Å; F112-F123 WeakPolarHBondContact CB-O 2.98Å; F112-F123 WeakPolarHBondContact CD2-O 3.48Å; F112-F123 PolarHBondContact N-O 3.19Å; F112-F123 PolarHBondContact O-N 3.39Å; A121-F123 HydrophobicContact CB-CE2 3.84Å; A121-F123 HydrophobicContact CB-CZ 3.83Å; F123-S125 PolarHBondContact O-N 3.34Å; F123-L129 HydrophobicContact CD2-CB 4Å; F123-L129 HydrophobicContact CD2-CD1 3.97Å; F123-L129 HydrophobicContact CE2-CD1 4.12Å; F123-L129 HydrophobicContact CG-CB 4.42Å; F123-H132 HydrophobicContact CE1-CB 3.94Å; F123-H132 HydrophobicContact CE2-CB 3.77Å; F123-H132 AromaticContact CE2-CD2 3.28Å; F123-H132 WeakPolarHBondContact CE2-CD2 3.34Å; F123-H132 AromaticContact CE2-CG 3.55Å; F123-H132 AromaticContact CE2-NE2 3.95Å; F123-H132 HydrophobicContact CZ-CB 3.35Å; F123-H132 AromaticContact CZ-CD2 3.4Å; F123-H132 WeakPolarHBondContact CZ-CD2 3.49Å; F123-H132 AromaticContact CZ-CG 3.17Å; F123-H132 AromaticContact CZ-ND1 3.65Å; F123-H132 AromaticContact CZ-NE2 3.94Å
124A79.1Confident85.4Confident32 Ų3266.3 Ų66.326%0.26442%0.424SS..SBendtrans-822.5173.400000113L104L104-A124 HydrophobicContact CB-CB 3.96Å; L104-A124 HydrophobicContact CD1-CB 4.19Å; L104-A124 WeakPolarHBondContact CD1-O 3.05Å
125S82.9Confident85.1Confident38 Ų3868.2 Ų68.227%0.26644%0.435SS..SBendtrans-154.4148.4177.167.20000112.9F123 G127 G128 L129F123-S125 PolarHBondContact O-N 3.34Å; S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 2.99Å; S125-G128 PolarHBondContact O-N 3.31Å; S125-G128 VanDerWaalsContact O-N 3.11Å; S125-G128 PolarHBondContact OG-N 3.33Å; S125-L129 PolarHBondContact O-N 3.19Å
126Q84.8Confident84.9Confident142 Ų14263.8 Ų63.866%0.66441%0.405SS*.Hα-helixtrans-58.5-39.3174.5-174.1-177.7-3.600112.5F112 G128 L129 A130F112-Q126 HydrophobicContact CD1-CB 4.34Å; F112-Q126 HydrophobicContact CE1-CB 4.02Å; F112-Q126 HydrophobicContact CZ-CB 4.24Å; Q126-G128 VanDerWaalsContact C-N 3.28Å; Q126-G128 PolarHBondContact O-N 3.46Å; Q126-L129 PolarHBondContact O-N 3.15Å; Q126-A130 WeakPolarHBondContact O-CB 3.22Å; Q126-A130 PolarHBondContact O-N 3.3Å
127G85.1Confident84.8Confident54 Ų5469 Ų6956%0.55742%0.424SS*.Hα-helixtrans-63.5-33.8176.600000113.1S125 R131S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 2.99Å; G127-R131 PolarHBondContact O-N 2.56Å; G127-R131 VanDerWaalsContact O-N 3.14Å
128G85.1Confident84.3Confident14 Ų1470.1 Ų70.114%0.14442%0.42CS..Hα-helixtrans-65-47172.900000112.1S125 Q126 R131 H132S125-G128 PolarHBondContact O-N 3.31Å; S125-G128 VanDerWaalsContact O-N 3.11Å; S125-G128 PolarHBondContact OG-N 3.33Å; Q126-G128 VanDerWaalsContact C-N 3.28Å; Q126-G128 PolarHBondContact O-N 3.46Å; G128-R131 PolarHBondContact O-N 3.04Å; G128-H132 WeakPolarHBondContact O-CB 3.32Å; G128-H132 PolarHBondContact O-N 3.33Å; G128-H132 VanDerWaalsContact O-N 3.09Å
129L89Confident83.2Confident30 Ų3071.5 Ų71.516%0.15740%0.403CS..Hα-helixtrans-61.3-47.2174.817662.3000111.5F112 C114 F123 S125 Q126 R131 H132 V133F112-L129 HydrophobicContact CB-CB 4.21Å; F112-L129 HydrophobicContact CB-CD2 4.1Å; C114-L129 HydrophobicContact CB-CD1 4.38Å; F123-L129 HydrophobicContact CD2-CB 4Å; F123-L129 HydrophobicContact CD2-CD1 3.97Å; F123-L129 HydrophobicContact CE2-CD1 4.12Å; F123-L129 HydrophobicContact CG-CB 4.42Å; S125-L129 PolarHBondContact O-N 3.19Å; Q126-L129 PolarHBondContact O-N 3.15Å; L129-R131 PolarHBondContact O-N 3.5Å; L129-H132 WeakPolarHBondContact O-CA 3.33Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 3.39Å; L129-V133 HydrophobicContact CD1-CG2 3.83Å; L129-V133 HydrophobicContact CG-CG2 4.18Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.49Å
130A88.3Confident81.6Confident64 Ų6478.5 Ų78.553%0.52943%0.433SS..Hα-helixtrans-60.7-32.8-179.400000112.9Q126 P134Q126-A130 WeakPolarHBondContact O-CB 3.22Å; Q126-A130 PolarHBondContact O-N 3.3Å; A130-P134 WeakPolarHBondContact O-CD 3.47Å
131R88.2Confident79.6Confident207 Ų20778.9 Ų78.978%0.78144%0.436SS*.Hα-helixtrans-76.5-29.2173.1-171.9178.666.5-174.60.9112.7G127 G128 L129G127-R131 PolarHBondContact O-N 2.56Å; G127-R131 VanDerWaalsContact O-N 3.14Å; G128-R131 PolarHBondContact O-N 3.04Å; L129-R131 PolarHBondContact O-N 3.5Å
132H88.4Confident77.4Confident33 Ų3381.2 Ų81.215%0.15345%0.45CS..Hα-helixtrans-78.2-40.5-179.9169.869.8000112.8C119 F123 G128 L129 P134 T135 H136C119-H132 PolarHBondContact SG-NE2 3.03Å; F123-H132 HydrophobicContact CE1-CB 3.94Å; F123-H132 HydrophobicContact CE2-CB 3.77Å; F123-H132 AromaticContact CE2-CD2 3.28Å; F123-H132 WeakPolarHBondContact CE2-CD2 3.34Å; F123-H132 AromaticContact CE2-CG 3.55Å; F123-H132 AromaticContact CE2-NE2 3.95Å; F123-H132 HydrophobicContact CZ-CB 3.35Å; F123-H132 AromaticContact CZ-CD2 3.4Å; F123-H132 WeakPolarHBondContact CZ-CD2 3.49Å; F123-H132 AromaticContact CZ-CG 3.17Å; F123-H132 AromaticContact CZ-ND1 3.65Å; F123-H132 AromaticContact CZ-NE2 3.94Å; G128-H132 WeakPolarHBondContact O-CB 3.32Å; G128-H132 PolarHBondContact O-N 3.33Å; G128-H132 VanDerWaalsContact O-N 3.09Å; L129-H132 WeakPolarHBondContact O-CA 3.33Å; L129-H132 WeakPolarHBondContact O-CB 3.4Å; L129-H132 PolarHBondContact O-N 3.39Å; H132-P134 VanDerWaalsContact C-CD 3.49Å; H132-P134 VanDerWaalsContact C-N 3.35Å; H132-T135 WeakPolarHBondContact O-CB 3.4Å; H132-T135 PolarHBondContact O-N 2.78Å; H132-T135 PolarHBondContact O-OG1 3.02Å; H132-H136 AromaticContact CD2-NE2 3.72Å; H132-H136 AromaticContact CE1-CE1 3.96Å; H132-H136 AromaticContact CE1-NE2 3.35Å; H132-H136 PolarHBondContact CE1-NE2 3.03Å; H132-H136 VanDerWaalsContact CE1-NE2 3.35Å; H132-H136 AromaticContact NE2-CD2 3.86Å; H132-H136 AromaticContact NE2-CE1 3.82Å; H132-H136 AromaticContact NE2-NE2 2.93Å; H132-H136 PolarHBondContact NE2-NE2 3.08Å
133V88.5Confident75.3Confident48 Ų4884.8 Ų84.829%0.29148%0.475SS..Hα-helixtrans-52.2-43.7-176.4170.20000113.7L129 T135 H136 F137L129-V133 HydrophobicContact CD1-CG2 3.83Å; L129-V133 HydrophobicContact CG-CG2 4.18Å; L129-V133 WeakPolarHBondContact O-CG2 3.37Å; L129-V133 PolarHBondContact O-N 3.49Å; V133-T135 PolarHBondContact O-N 2.76Å; V133-T135 VanDerWaalsContact O-N 3.16Å; V133-H136 PolarHBondContact O-N 2.82Å; V133-F137 HydrophobicContact CG1-CE2 3.95Å; V133-F137 WeakPolarHBondContact O-CD2 3.32Å
134P88.4Confident73.3Confident74 Ų7491.9 Ų91.948%0.48151%0.506SS..Hα-helixtrans-60.8-23177-2635.6000115A130 H132 H136 F137 S138A130-P134 WeakPolarHBondContact O-CD 3.47Å; H132-P134 VanDerWaalsContact C-CD 3.49Å; H132-P134 VanDerWaalsContact C-N 3.35Å; P134-H136 PolarHBondContact O-N 3.06Å; P134-F137 PolarHBondContact O-N 3.44Å; P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 2.85Å
135T84.6Confident71.4Confident54 Ų5497.4 Ų97.433%0.33154%0.536SS..Hα-helixtrans-68.4-26.6-179.868.50000112.1H132 V133 Q139H132-T135 WeakPolarHBondContact O-CB 3.4Å; H132-T135 PolarHBondContact O-N 2.78Å; H132-T135 PolarHBondContact O-OG1 3.02Å; V133-T135 PolarHBondContact O-N 2.76Å; V133-T135 VanDerWaalsContact O-N 3.16Å; T135-Q139 VanDerWaalsContact O-CB 3.29Å; T135-Q139 WeakPolarHBondContact O-CB 3.41Å; T135-Q139 WeakPolarHBondContact O-CG 3.46Å; T135-Q139 PolarHBondContact O-N 3.17Å
136H82.8Confident69.3Low48 Ų48100.1 Ų100.122%0.22256%0.555CS.*Hα-helixtrans-66.1-38.4175.1-69.7-66.4000112.7C114 V116 C119 H132 V133 P134C114-H136 PolarHBondContact SG-NE2 3.16Å; V116-H136 HydrophobicContact CG1-CB 4.13Å; V116-H136 HydrophobicContact CG2-CB 4.12Å; C119-H136 VanDerWaalsContact CB-CE1 3.42Å; C119-H136 WeakPolarHBondContact CB-CE1 3.35Å; C119-H136 PolarHBondContact SG-CE1 3.02Å; H132-H136 AromaticContact CD2-NE2 3.72Å; H132-H136 AromaticContact CE1-CE1 3.96Å; H132-H136 AromaticContact CE1-NE2 3.35Å; H132-H136 PolarHBondContact CE1-NE2 3.03Å; H132-H136 VanDerWaalsContact CE1-NE2 3.35Å; H132-H136 AromaticContact NE2-CD2 3.86Å; H132-H136 AromaticContact NE2-CE1 3.82Å; H132-H136 AromaticContact NE2-NE2 2.93Å; H132-H136 PolarHBondContact NE2-NE2 3.08Å; V133-H136 PolarHBondContact O-N 2.82Å; P134-H136 PolarHBondContact O-N 3.06Å
137F82Confident67.1Low153 Ų15398 Ų9867%0.67156%0.556SS**Hα-helixtrans-84.4-22.1-179.1-57.9-76.7000112.6V133 P134V133-F137 HydrophobicContact CG1-CE2 3.95Å; V133-F137 WeakPolarHBondContact O-CD2 3.32Å; P134-F137 PolarHBondContact O-N 3.44Å
138S68.5Low64.6Low101 Ų101103.7 Ų103.771%0.70657%0.568SS**Hα-helixtrans-84.9-16.4177.1176.30000113.9P134P134-S138 WeakPolarHBondContact O-CB 3.29Å; P134-S138 PolarHBondContact O-N 2.85Å
139Q58Low62.5Low116 Ų116108.4 Ų108.454%0.54260%0.596SS.*  trans-112.117.1-171-70.1-166.4-24.400115.2T135 N141 S142T135-Q139 VanDerWaalsContact O-CB 3.29Å; T135-Q139 WeakPolarHBondContact O-CB 3.41Å; T135-Q139 WeakPolarHBondContact O-CG 3.46Å; T135-Q139 PolarHBondContact O-N 3.17Å; Q139-N141 PolarHBondContact O-N 3.46Å; Q139-S142 PolarHBondContact O-N 3.39Å
140Q53Low59.7Low168 Ų168117 Ų11779%0.78563%0.632SS**THydrogen-bonded Turntrans-6110.3174.1-75.8-105.80.300114.9
141N41.9Very low57.1Low168 Ų168118.6 Ų118.690%0.89865%0.645SS**THydrogen-bonded Turntrans-131.213.8174.3-121.512.8000115.7Q139Q139-N141 PolarHBondContact O-N 3.46Å
142S38.9Very low54.9Low78 Ų78118.4 Ų118.455%0.54565%0.65SS.*  trans-146.894.2171.665.90000111.9Q139Q139-S142 PolarHBondContact O-N 3.39Å
143S39.3Very low52.1Low111 Ų111125.6 Ų125.678%0.77668%0.684SS**  trans-54.2139168.7-29.10000111.5
144K43Very low49.5Very low196 Ų196131.7 Ų131.785%0.85271%0.709SS**  trans68.7103.5158.5-54.5177.1-178.2178.80117.2
145V38.7Very low47.7Very low148 Ų148133.4 Ų133.490%0.89772%0.723SS**  -146.3112.7126.2-179.50000109.6
146S38.7Very low45.8Very low96 Ų96136.4 Ų136.467%0.67174%0.743SS**  trans-70.8139.6162.655.20000111.1
147S38.1Very low43.5Very low98 Ų98139.9 Ų139.969%0.68577%0.773SS**  trans28.7105.6142.258.50000119
148Q33.3Very low41.9Very low173 Ų173142.8 Ų142.881%0.80879%0.785SS**  trans-150.1144.6138.3-80.4-52.5-32.400110.8
149P40.5Very low40.5Very low113 Ų113142.9 Ų142.973%0.73479%0.792SS**PPolyproline II helixtrans-82.8122.4168.231.8-21.8000109
150K31.2Very low40Very low210 Ų210140.8 Ų140.891%0.91380%0.802SS**PPolyproline II helixtrans-86121.5175.2-86-168.8172.4-174.20111.1
151A33.2Very low39.6Very low97 Ų97141.6 Ų141.680%0.80281%0.808SS**PPolyproline II helixtrans-66.9164.7169.200000112.6
152K42.3Very low39.9Very low203 Ų203141.1 Ų141.188%0.88381%0.805SS**PPolyproline II helixtrans-52.8143.2174.6-67.1172.9172.1-178.80112.6
153E29.5Very low40.6Very low184 Ų184146.7 Ų146.786%0.8682%0.82SS**  trans-156.4146.2148.2-106.8-61.2153.200108.2
154E34.3Very low41.3Very low176 Ų176152.7 Ų152.782%0.82283%0.825SS**  trans-78.9153.2-165.1-79.6-155.1132.400114.6
155S49.4Very low42.1Very low110 Ų110154.9 Ų154.977%0.76983%0.828SS**  trans-26150.5160.8-55.20000115.9
156P45.2Very low43.2Very low118 Ų118157.1 Ų157.177%0.76683%0.826SS**  -153.4150.266.537.6-16.9000116.6
157S35.5Very low44.3Very low121 Ų121160 Ų16085%0.84683%0.833SS**  161124.2121.9460000112.3
158K47.8Very low45.3Very low214 Ų214163.4 Ų163.493%0.9384%0.835SS**  trans-67.6119.9165.2-81.8170.3170.6168.60108.8
159A38.8Very low46.7Very low103 Ų103161.7 Ų161.785%0.85183%0.832SS**  trans-177.2130.4137.700000109.9
160G46.8Very low47.7Very low72 Ų72162.8 Ų162.874%0.74283%0.825SS**  trans93.843.816200000117.1N162G160-N162 PolarHBondContact O-N 2.92Å
161M44.3Very low49.1Very low184 Ų184164.4 Ų164.491%0.90683%0.825SS**  trans-68.782.6156.9-70.6-164.886.100109.1K163M161-K163 VanDerWaalsContact C-N 3.27Å; M161-K163 PolarHBondContact O-N 3.49Å
162N49.4Very low50.5Low158 Ų158168.2 Ų168.285%0.84582%0.819SS**  trans-57.2104.3151.3-84.2-24.6000105.6G160 R164G160-N162 PolarHBondContact O-N 2.92Å; N162-R164 VanDerWaalsContact C-N 3.3Å; N162-R164 PolarHBondContact O-N 3.47Å
163K54.1Low51.7Low196 Ų196171 Ų17185%0.85282%0.824SS**  trans-44.298.9173.5-89.8173.1176.7164.20107.1M161 R165M161-K163 VanDerWaalsContact C-N 3.27Å; M161-K163 PolarHBondContact O-N 3.49Å; K163-R165 VanDerWaalsContact C-N 3.29Å; K163-R165 PolarHBondContact O-N 2.76Å
164R53.3Low53.5Low237 Ų237167.4 Ų167.489%0.89482%0.819SS**  trans-52.1102.3170.3-163175.3-179.8-176.61.6104.3N162 K166N162-R164 VanDerWaalsContact C-N 3.3Å; N162-R164 PolarHBondContact O-N 3.47Å; R164-K166 VanDerWaalsContact C-N 3.35Å; R164-K166 PolarHBondContact O-N 3.31Å
165R60.2Low55.4Low242 Ų242164.4 Ų164.491%0.91381%0.808SS**  trans-51.7106179.9-101.4176155.7-172.3-4.1104.7K163 L167K163-R165 VanDerWaalsContact C-N 3.29Å; K163-R165 PolarHBondContact O-N 2.76Å; R165-L167 PolarHBondContact O-N 3.42Å
166K61.3Low56.8Low194 Ų194164.9 Ų164.984%0.84381%0.809SS**  trans-49.6120.5171.5-87.5-178.6174.9177.70105.1R164 K168R164-K166 VanDerWaalsContact C-N 3.35Å; R164-K166 PolarHBondContact O-N 3.31Å; K166-K168 PolarHBondContact O-N 2.99Å
167L62Low58.3Low156 Ų156169.8 Ų169.882%0.81781%0.812SS**  trans-51.1108.6170.9-164.577.8000105.2R165 N169R165-L167 PolarHBondContact O-N 3.42Å; L167-N169 PolarHBondContact O-N 2.85Å
168K60Low60.4Low170 Ų170169.4 Ų169.474%0.73981%0.807SS**  trans-69.988.5-174.6-94.7178.4173.8174.90106.1K166 K170K166-K168 PolarHBondContact O-N 2.99Å; K168-K170 HydrophobicContact CB-CG 4.35Å; K168-K170 PolarHBondContact O-N 3.35Å
169N61.2Low62.1Low138 Ų138167.9 Ų167.974%0.73880%0.802SS**  trans-67.974.2164.2-82.4-0.4000107.8L167 R171L167-N169 PolarHBondContact O-N 2.85Å; N169-R171 PolarHBondContact O-N 3.22Å
170K61.8Low64.3Low136 Ų136167.7 Ų167.759%0.59179%0.787SS**  trans-73.776.5169.3-78.3179.8176-178.90107.6K168 R172K168-K170 HydrophobicContact CB-CG 4.35Å; K168-K170 PolarHBondContact O-N 3.35Å; K170-R172 VanDerWaalsContact C-N 3.26Å; K170-R172 PolarHBondContact O-N 3.29Å; K170-R172 VanDerWaalsContact O-N 3.14Å
171R61.5Low66.2Low244 Ų244173 Ų17392%0.92179%0.79SS**  trans-78.886.5157.6-77.2-174.4177.6-175.5-1.3107.1N169N169-R171 PolarHBondContact O-N 3.22Å
172R61.9Low68.3Low176 Ų176169.9 Ų169.966%0.66477%0.771SS**  trans-90.6142162.9-66.1-150.5-176.7-787107.8K170 S174 L175K170-R172 VanDerWaalsContact C-N 3.26Å; K170-R172 PolarHBondContact O-N 3.29Å; K170-R172 VanDerWaalsContact O-N 3.14Å; R172-S174 PolarHBondContact O-N 3.34Å; R172-S174 VanDerWaalsContact O-N 3.15Å; R172-L175 HydrophobicContact CB-CD2 4.02Å; R172-L175 HydrophobicContact CB-CG 4.4Å; R172-L175 HydrophobicContact CG-CD2 4.34Å
173R66.6Low70.2Confident262 Ų262165.9 Ų165.999%0.98975%0.75SS**SBendtrans-61.1-24.1-170.5-69.5-172.3179.4-150.51.5113.7
174S67.8Low71.8Confident108 Ų108159.8 Ų159.876%0.75574%0.737SS**  trans-161.8131162.548.50000108.4R172R172-S174 PolarHBondContact O-N 3.34Å; R172-S174 VanDerWaalsContact O-N 3.15Å
175L74.9Confident73.6Confident113 Ų113155.8 Ų155.859%0.59273%0.728SS**PPolyproline II helixtrans-94.3149.9166.8-68.4173.4000107.8R172 R177R172-L175 HydrophobicContact CB-CD2 4.02Å; R172-L175 HydrophobicContact CB-CG 4.4Å; R172-L175 HydrophobicContact CG-CD2 4.34Å; L175-R177 PolarHBondContact O-N 2.89Å
176P78.8Confident74.9Confident121 Ų121147.2 Ų147.279%0.78670%0.703SS**PPolyproline II helixtrans-50.1126168.1-25.134.4000109.2
177R75.9Confident76.2Confident221 Ų221142 Ų14283%0.83468%0.683SS**PPolyproline II helixtrans-61.2128.1-179.4179.6174.4-109.7-97.33107.7L175 H179L175-R177 PolarHBondContact O-N 2.89Å; R177-H179 PolarHBondContact O-N 2.88Å
178P80.7Confident77.5Confident113 Ų113138 Ų13873%0.73466%0.663SS**PPolyproline II helixtrans-58.9134.2173.225.3-32.4000108.5D180P178-D180 PolarHBondContact O-N 2.65Å
179H83.6Confident78.7Confident181 Ų181131.8 Ų131.884%0.83864%0.643SS**PPolyproline II helixtrans-64119.4175.7-175-77.2000108.3R177R177-H179 PolarHBondContact O-N 2.88Å
180D84.3Confident79.9Confident100 Ų100129.4 Ų129.454%0.53563%0.63SS.*PPolyproline II helixtrans-72.9135.9175.1-157.5-23.4000108.8P178 F182P178-D180 PolarHBondContact O-N 2.65Å; D180-F182 PolarHBondContact OD1-N 3.43Å
181F86.8Confident81Confident184 Ų184129.6 Ų129.681%0.80763%0.626SS**SBendtrans-78.3-27.6178.5180-98.4000111.3D183F181-D183 PolarHBondContact O-N 2.83Å
182F87.4Confident82.1Confident117 Ų117124 Ų12451%0.51361%0.611SS.*  trans-77.4123.3-180-67.2-77.3000110.7D180 T186 L187D180-F182 PolarHBondContact OD1-N 3.43Å; F182-T186 HydrophobicContact CD1-CG2 4.35Å; F182-L187 HydrophobicContact CB-CG 4.45Å
183D90.1Very high83Confident74 Ų74120.9 Ų120.940%0.39660%0.599SS.*  trans-93.5163.1171.664.3-2.5000111.3F181 Q185 T186 L187F181-D183 PolarHBondContact O-N 2.83Å; D183-Q185 PolarHBondContact O-N 3.19Å; D183-T186 PolarHBondContact O-N 2.78Å; D183-T186 WeakPolarHBondContact OD1-CA 3.45Å; D183-T186 WeakPolarHBondContact OD1-CB 3.09Å; D183-T186 PolarHBondContact OD1-N 3.2Å; D183-T186 PolarHBondContact OD1-OG1 3.07Å; D183-L187 PolarHBondContact O-N 2.83Å; D183-L187 VanDerWaalsContact O-N 3.15Å
184A88.1Confident83.8Confident69 Ų69111 Ų11157%0.5757%0.574SS**Hα-helixtrans-58.7-36.3178.400000111.5L187 D188A184-L187 PolarHBondContact O-N 2.78Å; A184-D188 WeakPolarHBondContact O-CB 3.42Å; A184-D188 PolarHBondContact O-N 2.75Å
185Q89.9Confident84.5Confident153 Ų153110.3 Ų110.372%0.71556%0.56SS**Hα-helixtrans-65.3-43.4-179-169.1173.723.200112.5D183 D188 A189D183-Q185 PolarHBondContact O-N 3.19Å; Q185-D188 PolarHBondContact O-N 3.17Å; Q185-A189 WeakPolarHBondContact O-CB 3.33Å; Q185-A189 PolarHBondContact O-N 2.93Å
186T88Confident84.7Confident62 Ų62107.8 Ų107.838%0.3855%0.551SS.*Hα-helixtrans-64.7-42.5175.3-60.80000110.8F182 D183 D188 A189 I190F182-T186 HydrophobicContact CD1-CG2 4.35Å; D183-T186 PolarHBondContact O-N 2.78Å; D183-T186 WeakPolarHBondContact OD1-CA 3.45Å; D183-T186 WeakPolarHBondContact OD1-CB 3.09Å; D183-T186 PolarHBondContact OD1-N 3.2Å; D183-T186 PolarHBondContact OD1-OG1 3.07Å; T186-D188 PolarHBondContact O-N 3.29Å; T186-A189 PolarHBondContact O-N 3.16Å; T186-I190 HydrophobicContact CG2-CD1 3.97Å; T186-I190 WeakPolarHBondContact O-CD1 3.4Å; T186-I190 VanDerWaalsContact O-CG1 3.26Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.94Å
187L89.9Confident84.5Confident83 Ų83104.6 Ų104.644%0.43553%0.525SS..Hα-helixtrans-64.5-39.3177.6-71.6175.3000112.6F182 D183 A184 I190 R191F182-L187 HydrophobicContact CB-CG 4.45Å; D183-L187 PolarHBondContact O-N 2.83Å; D183-L187 VanDerWaalsContact O-N 3.15Å; A184-L187 PolarHBondContact O-N 2.78Å; L187-I190 PolarHBondContact O-N 3.14Å; L187-R191 WeakPolarHBondContact O-CB 3.42Å; L187-R191 PolarHBondContact O-N 3.35Å
188D88Confident84.6Confident74 Ų7496.3 Ų96.340%0.39650%0.497SS..Hα-helixtrans-68.2-38.7178.2-71.4-13.1000111.5A184 Q185 T186 I190 R191 H192A184-D188 WeakPolarHBondContact O-CB 3.42Å; A184-D188 PolarHBondContact O-N 2.75Å; Q185-D188 PolarHBondContact O-N 3.17Å; T186-D188 PolarHBondContact O-N 3.29Å; D188-I190 VanDerWaalsContact C-N 3.35Å; D188-I190 PolarHBondContact O-N 3.15Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.01Å; D188-R191 IonicContact OD1-NH1 2.98Å; D188-R191 PolarHBondContact OD1-NH1 3.22Å; D188-R191 IonicContact OD1-NH2 2.62Å; D188-R191 PolarHBondContact OD1-NH2 2.77Å; D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.36Å
189A85.9Confident84.2Confident39 Ų3996.5 Ų96.532%0.32249%0.492SS..Hα-helixtrans-62.8-41.317300000112Q185 T186 R193Q185-A189 WeakPolarHBondContact O-CB 3.33Å; Q185-A189 PolarHBondContact O-N 2.93Å; T186-A189 PolarHBondContact O-N 3.16Å; A189-R193 VanDerWaalsContact O-CG 3.27Å; A189-R193 WeakPolarHBondContact O-CG 3.28Å; A189-R193 PolarHBondContact O-N 3.42Å
190I85.6Confident83.4Confident88 Ų8891 Ų9145%0.45147%0.474SS..Hα-helixtrans-65-45.1175.1-66.3163.5000110.2T186 L187 D188 R193 A194T186-I190 HydrophobicContact CG2-CD1 3.97Å; T186-I190 WeakPolarHBondContact O-CD1 3.4Å; T186-I190 VanDerWaalsContact O-CG1 3.26Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.94Å; L187-I190 PolarHBondContact O-N 3.14Å; D188-I190 VanDerWaalsContact C-N 3.35Å; D188-I190 PolarHBondContact O-N 3.15Å; I190-R193 PolarHBondContact O-N 3.07Å; I190-A194 WeakPolarHBondContact O-CB 3.45Å; I190-A194 PolarHBondContact O-N 2.93Å
191R84.7Confident82.5Confident139 Ų13986.3 Ų86.353%0.52545%0.449SS..Hα-helixtrans-60.8-49.4180-168.8-171.6-53.3117.114.5111.6L187 D188 R193 A194 I195L187-R191 WeakPolarHBondContact O-CB 3.42Å; L187-R191 PolarHBondContact O-N 3.35Å; D188-R191 PolarHBondContact O-N 3.31Å; D188-R191 IonicContact OD1-CZ 3.01Å; D188-R191 IonicContact OD1-NH1 2.98Å; D188-R191 PolarHBondContact OD1-NH1 3.22Å; D188-R191 IonicContact OD1-NH2 2.62Å; D188-R191 PolarHBondContact OD1-NH2 2.77Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 3.09Å; R191-A194 PolarHBondContact O-N 3.14Å; R191-I195 HydrophobicContact CG-CD1 4Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 3.18Å
192H85.1Confident81.6Confident127 Ų12781 Ų8159%0.58843%0.427SS*.Hα-helixtrans-58.1-45179.2-176.2-83000111.1D188 I195 C196D188-H192 WeakPolarHBondContact O-CB 3.45Å; D188-H192 PolarHBondContact O-N 3.36Å; H192-I195 PolarHBondContact O-N 3.41Å; H192-C196 PolarHBondContact CE1-SG 3.26Å; H192-C196 PolarHBondContact O-N 3.28Å; H192-C196 PolarHBondContact O-SG 3.48Å
193R81.4Confident80.6Confident111 Ų11176.2 Ų76.242%0.41941%0.406SS..Hα-helixtrans-63.1-45.8177.3-71.5175.7-165.9166.68.8112.5A189 I190 R191 I195 C196 F197 N275A189-R193 VanDerWaalsContact O-CG 3.27Å; A189-R193 WeakPolarHBondContact O-CG 3.28Å; A189-R193 PolarHBondContact O-N 3.42Å; I190-R193 PolarHBondContact O-N 3.07Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 3.09Å; R193-I195 VanDerWaalsContact C-N 3.27Å; R193-I195 PolarHBondContact O-N 2.95Å; R193-C196 PolarHBondContact O-N 2.9Å; R193-F197 VanDerWaalsContact O-CB 3.26Å; R193-F197 WeakPolarHBondContact O-CB 3.43Å; R193-F197 PolarHBondContact O-N 3.39Å; R193-N275 PolarHBondContact NH1-ND2 2.62Å; R193-N275 PolarHBondContact NH1-OD1 3.46Å
194A82Confident79.2Confident55 Ų5579.6 Ų79.646%0.45542%0.419SS..Hα-helixtrans-59.9-39.117800000111.9I190 R191 F197 N198I190-A194 WeakPolarHBondContact O-CB 3.45Å; I190-A194 PolarHBondContact O-N 2.93Å; R191-A194 PolarHBondContact O-N 3.14Å; A194-F197 PolarHBondContact O-N 3.25Å; A194-N198 WeakPolarHBondContact O-CB 3.48Å; A194-N198 PolarHBondContact O-N 3.45Å
195I82.6Confident78Confident92 Ų9280.4 Ų80.447%0.47242%0.421SS..Hα-helixtrans-66.3-50176.1-67.8167.1000111R191 H192 R193 F197 N198 L199R191-I195 HydrophobicContact CG-CD1 4Å; R191-I195 WeakPolarHBondContact O-CG1 3.45Å; R191-I195 PolarHBondContact O-N 3.18Å; H192-I195 PolarHBondContact O-N 3.41Å; R193-I195 VanDerWaalsContact C-N 3.27Å; R193-I195 PolarHBondContact O-N 2.95Å; I195-F197 VanDerWaalsContact C-N 3.25Å; I195-F197 PolarHBondContact O-N 3.11Å; I195-N198 PolarHBondContact O-N 3.41Å; I195-L199 HydrophobicContact CG2-CD1 3.9Å; I195-L199 HydrophobicContact CG2-CG 4.46Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 WeakPolarHBondContact O-CG 3.42Å; I195-L199 PolarHBondContact O-N 3.5Å
196C80Confident76.7Confident61 Ų6178 Ų7841%0.41241%0.412SS..Hα-helixtrans-57.6-41.1176.9-67.80000111.8H192 R193 L199 S200H192-C196 PolarHBondContact CE1-SG 3.26Å; H192-C196 PolarHBondContact O-N 3.28Å; H192-C196 PolarHBondContact O-SG 3.48Å; R193-C196 PolarHBondContact O-N 2.9Å; C196-L199 PolarHBondContact O-N 2.81Å; C196-S200 PolarHBondContact O-N 3.38Å; C196-S200 PolarHBondContact O-OG 3.08Å
197F74.8Confident75.4Confident53 Ų5375.2 Ų75.223%0.23240%0.396CS..Hα-helixtrans-67.5-40.9177.9-176.7-109.6000112.7R193 A194 I195 L199 S200 A201 I203 L272R193-F197 VanDerWaalsContact O-CB 3.26Å; R193-F197 WeakPolarHBondContact O-CB 3.43Å; R193-F197 PolarHBondContact O-N 3.39Å; A194-F197 PolarHBondContact O-N 3.25Å; I195-F197 VanDerWaalsContact C-N 3.25Å; I195-F197 PolarHBondContact O-N 3.11Å; F197-L199 VanDerWaalsContact C-N 3.34Å; F197-S200 PolarHBondContact O-N 3.27Å; F197-S200 PolarHBondContact O-OG 3.39Å; F197-A201 HydrophobicContact CE2-CB 4.34Å; F197-A201 HydrophobicContact CZ-CB 4.32Å; F197-A201 VanDerWaalsContact O-CB 3.25Å; F197-A201 WeakPolarHBondContact O-CB 3.48Å; F197-A201 PolarHBondContact O-N 2.84Å; F197-I203 HydrophobicContact CD1-CD1 4.06Å; F197-I203 HydrophobicContact CE1-CD1 3.16Å; F197-I203 HydrophobicContact CE2-CD1 4.49Å; F197-I203 HydrophobicContact CZ-CD1 3.42Å; F197-I203 VanDerWaalsContact CZ-CD1 3.42Å; F197-L272 HydrophobicContact CE2-CB 3.92Å; F197-L272 HydrophobicContact CE2-CD2 3.8Å; F197-L272 HydrophobicContact CE2-CG 4.45Å; F197-L272 HydrophobicContact CZ-CB 4.43Å; F197-L272 HydrophobicContact CZ-CD2 4.22Å
198N77.6Confident74.4Confident47 Ų4780.4 Ų80.425%0.25142%0.415SS..Hα-helixtrans-69-35.2177.3-16524.3000112A194 I195 H202 E204A194-N198 WeakPolarHBondContact O-CB 3.48Å; A194-N198 PolarHBondContact O-N 3.45Å; I195-N198 PolarHBondContact O-N 3.41Å; N198-H202 WeakPolarHBondContact O-CA 3.44Å; N198-H202 PolarHBondContact O-N 3.17Å; N198-E204 PolarHBondContact ND2-OE2 2.9Å; N198-E204 VanDerWaalsContact OD1-CB 3.22Å; N198-E204 WeakPolarHBondContact OD1-CB 3.43Å; N198-E204 PolarHBondContact OD1-N 3.22Å
199L72.7Confident73.5Confident118 Ų11878.9 Ų78.962%0.61842%0.417SS*.Hα-helixtrans-65.9-36.4173.6-75.1168.5000112.3I195 C196 F197 H202I195-L199 HydrophobicContact CG2-CD1 3.9Å; I195-L199 HydrophobicContact CG2-CG 4.46Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 WeakPolarHBondContact O-CG 3.42Å; I195-L199 PolarHBondContact O-N 3.5Å; C196-L199 PolarHBondContact O-N 2.81Å; F197-L199 VanDerWaalsContact C-N 3.34Å; L199-H202 PolarHBondContact O-CE1 3.44Å
200S67.6Low72.9Confident66 Ų6682.7 Ų82.746%0.46243%0.428SS..Hα-helixtrans-80.1-39.2178.7640000113.1C196 F197 P237C196-S200 PolarHBondContact O-N 3.38Å; C196-S200 PolarHBondContact O-OG 3.08Å; F197-S200 PolarHBondContact O-N 3.27Å; F197-S200 PolarHBondContact O-OG 3.39Å; S200-P237 WeakPolarHBondContact O-CG 3.34Å
201A64.9Low72.6Confident1 Ų179.7 Ų79.71%0.00841%0.414CS..Hα-helixtrans-101-11.4-169.600000114.3F197 I203 V212F197-A201 HydrophobicContact CE2-CB 4.34Å; F197-A201 HydrophobicContact CZ-CB 4.32Å; F197-A201 VanDerWaalsContact O-CB 3.25Å; F197-A201 WeakPolarHBondContact O-CB 3.48Å; F197-A201 PolarHBondContact O-N 2.84Å; A201-I203 HydrophobicContact CB-CD1 3.4Å; A201-I203 VanDerWaalsContact CB-CD1 3.4Å; A201-I203 HydrophobicContact CB-CG1 3.57Å; A201-I203 PolarHBondContact O-N 3.5Å; A201-V212 HydrophobicContact CB-CG1 4.2Å
202H66.5Low72.3Confident73 Ų7373.1 Ų73.134%0.33839%0.389SS..  trans46.933-177.3-65.1-52.6000114.1N198 L199 E204 S205 L206N198-H202 WeakPolarHBondContact O-CA 3.44Å; N198-H202 PolarHBondContact O-N 3.17Å; L199-H202 PolarHBondContact O-CE1 3.44Å; H202-E204 PolarHBondContact O-N 3.32Å; H202-S205 PolarHBondContact O-OG 3.21Å; H202-L206 HydrophobicContact CB-CD1 4.05Å; H202-L206 PolarHBondContact O-N 3.47Å; H202-L206 VanDerWaalsContact O-N 3.08Å
203I67.6Low72Confident15 Ų1567.3 Ų67.38%0.07736%0.363CS..THydrogen-bonded Turntrans-69.5-34.5-172.3-68.3161.6000111.4F197 A201 G207 K208 G209 V212F197-I203 HydrophobicContact CD1-CD1 4.06Å; F197-I203 HydrophobicContact CE1-CD1 3.16Å; F197-I203 HydrophobicContact CE2-CD1 4.49Å; F197-I203 HydrophobicContact CZ-CD1 3.42Å; F197-I203 VanDerWaalsContact CZ-CD1 3.42Å; A201-I203 HydrophobicContact CB-CD1 3.4Å; A201-I203 VanDerWaalsContact CB-CD1 3.4Å; A201-I203 HydrophobicContact CB-CG1 3.57Å; A201-I203 PolarHBondContact O-N 3.5Å; I203-G207 CarbonylContact O-C 3.59Å; I203-G207 WeakPolarHBondContact O-CA 3.43Å; I203-G207 PolarHBondContact O-N 3.26Å; I203-K208 PolarHBondContact O-N 3.22Å; I203-K208 VanDerWaalsContact O-N 3.16Å; I203-G209 PolarHBondContact O-N 3.49Å; I203-V212 HydrophobicContact CD1-CG2 3.93Å; I203-V212 HydrophobicContact CG1-CB 4.42Å; I203-V212 HydrophobicContact CG1-CG2 4Å
204E60.2Low72Confident145 Ų14562 Ų6268%0.67834%0.343SS*.THydrogen-bonded Turntrans-82.5-35.3-176.1-157.2166.3-156.500112.2N198 H202N198-E204 PolarHBondContact ND2-OE2 2.9Å; N198-E204 VanDerWaalsContact OD1-CB 3.22Å; N198-E204 WeakPolarHBondContact OD1-CB 3.43Å; N198-E204 PolarHBondContact OD1-N 3.22Å; H202-E204 PolarHBondContact O-N 3.32Å
205S63.8Low71.9Confident86 Ų8662.5 Ų62.560%0.60134%0.336SS*.THydrogen-bonded Turntrans-79.8-41.9179.855.30000113.2H202H202-S205 PolarHBondContact O-OG 3.21Å
206L61.9Low71.9Confident103 Ų10359.2 Ų59.254%0.53932%0.321SS..THydrogen-bonded Turntrans-113.6-26.4-173.4-61.7172000112.9H202 V213H202-L206 HydrophobicContact CB-CD1 4.05Å; H202-L206 PolarHBondContact O-N 3.47Å; H202-L206 VanDerWaalsContact O-N 3.08Å; L206-V213 HydrophobicContact CB-CG2 3.47Å; L206-V213 VanDerWaalsContact CB-CG2 3.47Å; L206-V213 HydrophobicContact CD1-CB 4.38Å; L206-V213 HydrophobicContact CD1-CG1 4.2Å; L206-V213 HydrophobicContact CD1-CG2 4.1Å; L206-V213 HydrophobicContact CG-CG2 4.44Å
207G60.7Low72.1Confident3 Ų358.9 Ų58.93%0.03132%0.317CS..SBendtrans-96.81.8-170.700000116.7I203 G209 H210 S211I203-G207 CarbonylContact O-C 3.59Å; I203-G207 WeakPolarHBondContact O-CA 3.43Å; I203-G207 PolarHBondContact O-N 3.26Å; G207-G209 PolarHBondContact O-N 3.46Å; G207-H210 PolarHBondContact O-N 3.44Å; G207-S211 WeakPolarHBondContact CA-O 3.16Å; G207-S211 PolarHBondContact O-N 3Å
208K69.2Low72.7Confident192 Ų19259 Ų5984%0.83532%0.322SS*.THydrogen-bonded Turntrans49.231.6-175.8-59.7177.8-178.5177.50113I203 H210I203-K208 PolarHBondContact O-N 3.22Å; I203-K208 VanDerWaalsContact O-N 3.16Å; K208-H210 VanDerWaalsContact C-N 3.25Å; K208-H210 PolarHBondContact O-N 3.47Å; K208-H210 PolarHBondContact O-ND1 2.76Å
209G68.3Low73.2Confident42 Ų4261 Ų6143%0.43333%0.332SS..THydrogen-bonded Turntrans78-6.3179.900000116.3I203 G207I203-G209 PolarHBondContact O-N 3.49Å; G207-G209 PolarHBondContact O-N 3.46Å
210H74.1Confident73.9Confident120 Ų12057.2 Ų57.256%0.55632%0.317SS*.THydrogen-bonded Turntrans-130.8-3-171.2-56.783.8000113.9G207 K208 H260 L261G207-H210 PolarHBondContact O-N 3.44Å; K208-H210 VanDerWaalsContact C-N 3.25Å; K208-H210 PolarHBondContact O-N 3.47Å; K208-H210 PolarHBondContact O-ND1 2.76Å; H210-H260 PolarHBondContact O-CD2 3.42Å; H210-L261 VanDerWaalsContact C-CD1 3.41Å; H210-L261 VanDerWaalsContact O-CD1 3.24Å; H210-L261 WeakPolarHBondContact O-CD1 3.41Å; H210-L261 PolarHBondContact O-N 3.5Å
211S78.8Confident74.9Confident25 Ų2560 Ų6018%0.17532%0.321CS..EExtended strand (participates in β ladder)trans-130.5143.7177.5-50.90000111G207 V258 V259G207-S211 WeakPolarHBondContact CA-O 3.16Å; G207-S211 PolarHBondContact O-N 3Å; S211-V258 VanDerWaalsContact CB-CG1 3.46Å; S211-V259 CarbonylContact C-O 3.59Å; S211-V259 VanDerWaalsContact CA-O 3.29Å; S211-V259 WeakPolarHBondContact CA-O 3.31Å
212V78.1Confident76Confident0 Ų064.3 Ų64.30%034%0.337CS..EExtended strand (participates in β ladder)trans-96.9140.2173.1-175.60000108.6A201 I203 F214 V258 V259 L261 L264A201-V212 HydrophobicContact CB-CG1 4.2Å; I203-V212 HydrophobicContact CD1-CG2 3.93Å; I203-V212 HydrophobicContact CG1-CB 4.42Å; I203-V212 HydrophobicContact CG1-CG2 4Å; V212-F214 HydrophobicContact CB-CE2 3.79Å; V212-F214 HydrophobicContact CB-CZ 4.01Å; V212-F214 HydrophobicContact CG1-CD2 4.38Å; V212-F214 HydrophobicContact CG1-CE1 4.18Å; V212-F214 HydrophobicContact CG1-CE2 3.74Å; V212-F214 HydrophobicContact CG1-CZ 3.62Å; V212-V258 WeakPolarHBondContact O-CA 3.24Å; V212-V259 PolarHBondContact N-O 3.11Å; V212-V259 PolarHBondContact O-N 2.82Å; V212-L261 HydrophobicContact CG2-CD1 3.64Å; V212-L261 HydrophobicContact CG2-CG 4.26Å; V212-L264 HydrophobicContact CG2-CD1 4.04Å
213V79.7Confident77.1Confident5 Ų568.5 Ų68.53%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-100.4127.8175-175.80000109.4L206 V258L206-V213 HydrophobicContact CB-CG2 3.47Å; L206-V213 VanDerWaalsContact CB-CG2 3.47Å; L206-V213 HydrophobicContact CD1-CB 4.38Å; L206-V213 HydrophobicContact CD1-CG1 4.2Å; L206-V213 HydrophobicContact CD1-CG2 4.1Å; L206-V213 HydrophobicContact CG-CG2 4.44Å; V213-V258 HydrophobicContact CG2-CG1 4.47Å; V213-V258 HydrophobicContact CG2-CG2 4.04Å
214F80.9Confident77.8Confident0 Ų070.5 Ų70.50%036%0.363CS..EExtended strand (participates in β ladder)trans-109.1136.9175.4-62.9-85.6000110.4V212 W235 M236 I240 L241 T256 K257 V259 L264V212-F214 HydrophobicContact CB-CE2 3.79Å; V212-F214 HydrophobicContact CB-CZ 4.01Å; V212-F214 HydrophobicContact CG1-CD2 4.38Å; V212-F214 HydrophobicContact CG1-CE1 4.18Å; V212-F214 HydrophobicContact CG1-CE2 3.74Å; V212-F214 HydrophobicContact CG1-CZ 3.62Å; F214-W235 HydrophobicContact CB-CB 4.38Å; F214-W235 HydrophobicContact CB-CD2 4.38Å; F214-W235 HydrophobicContact CB-CE3 3.66Å; F214-W235 HydrophobicContact CB-CZ3 4.38Å; F214-W235 HydrophobicContact CD1-CB 4.32Å; F214-M236 CarbonylContact C-O 3.49Å; F214-M236 VanDerWaalsContact CA-O 3.26Å; F214-M236 WeakPolarHBondContact CA-O 3.48Å; F214-I240 HydrophobicContact CE1-CB 3.71Å; F214-I240 HydrophobicContact CE1-CD1 3.75Å; F214-I240 HydrophobicContact CE1-CG1 4.38Å; F214-I240 HydrophobicContact CE1-CG2 3.74Å; F214-I240 HydrophobicContact CZ-CB 4.07Å; F214-I240 HydrophobicContact CZ-CD1 4.25Å; F214-I240 HydrophobicContact CZ-CG2 3.54Å; F214-L241 HydrophobicContact CB-CD1 4.19Å; F214-L241 HydrophobicContact CD1-CD1 3.94Å; F214-L241 HydrophobicContact CD1-CG 4.32Å; F214-L241 HydrophobicContact CD2-CD1 3.59Å; F214-L241 HydrophobicContact CD2-CG 4.45Å; F214-L241 HydrophobicContact CE1-CD1 4.25Å; F214-L241 HydrophobicContact CE1-CG 4.22Å; F214-L241 HydrophobicContact CE2-CD1 3.91Å; F214-L241 HydrophobicContact CE2-CG 4.34Å; F214-L241 HydrophobicContact CG-CD1 3.61Å; F214-L241 HydrophobicContact CG-CG 4.44Å; F214-L241 HydrophobicContact CZ-CD1 4.23Å; F214-L241 HydrophobicContact CZ-CG 4.23Å; F214-T256 CarbonylContact O-C 3.58Å; F214-T256 WeakPolarHBondContact O-CA 3.34Å; F214-K257 PolarHBondContact N-O 2.85Å; F214-K257 PolarHBondContact O-N 3.28Å; F214-V259 HydrophobicContact CD2-CB 4.37Å; F214-V259 HydrophobicContact CD2-CG2 4.07Å; F214-V259 HydrophobicContact CE2-CB 4.04Å; F214-V259 HydrophobicContact CE2-CG2 4.16Å; F214-L264 HydrophobicContact CE2-CD2 3.99Å; F214-L264 HydrophobicContact CZ-CD2 3.93Å
215H79.6Confident78.8Confident66 Ų6672.2 Ų72.231%0.30638%0.377SS..EExtended strand (participates in β ladder)trans-104.5124.7173.9-62.8-83.4000109M236H215-M236 PolarHBondContact N-O 3.49Å; H215-M236 PolarHBondContact O-N 3.09Å
216S83.6Confident79.5Confident23 Ų2371.9 Ų71.916%0.16138%0.375CS..EExtended strand (participates in β ladder)trans-86130.9177.972.50000111H234 L254 K255S216-H234 CarbonylContact C-O 3.11Å; S216-H234 VanDerWaalsContact CA-O 3.26Å; S216-H234 WeakPolarHBondContact CA-O 3.47Å; S216-L254 WeakPolarHBondContact CB-O 3.23Å; S216-L254 PolarHBondContact OG-O 2.76Å; S216-K255 PolarHBondContact N-O 3.13Å; S216-K255 WeakPolarHBondContact OG-CA 3.14Å
217T84.6Confident80.4Confident54 Ų5469.4 Ų69.433%0.33137%0.374SS..EExtended strand (participates in β ladder)trans-111147.2167.359.20000109.6L233 H234 M236T217-L233 CarbonylContact O-C 3.46Å; T217-L233 WeakPolarHBondContact O-CA 3.48Å; T217-H234 PolarHBondContact N-O 3.04Å; T217-H234 PolarHBondContact O-N 3.3Å; T217-H234 PolarHBondContact OG1-O 3.25Å; T217-M236 HydrophobicContact CG2-CE 4.43Å; T217-M236 HydrophobicContact CG2-SD 4.45Å
218V86.6Confident81.5Confident54 Ų5475.6 Ų75.633%0.32740%0.4SS..EExtended strand (participates in β ladder)trans-90.6118.4179178.50000108.3L231 L233V218-L231 HydrophobicContact CG1-CB 4.17Å; V218-L231 HydrophobicContact CG1-CD2 4.14Å; V218-L231 HydrophobicContact CG2-CD1 4.29Å; V218-L233 HydrophobicContact CG2-CD2 3.79Å
219I87.4Confident82.2Confident90 Ų9068.5 Ų68.546%0.46237%0.371SS..EExtended strand (participates in β ladder)trans-105.4-26-178.255.7161.9000113.3L232 H234 D243I219-L232 HydrophobicContact CD1-CD2 3.46Å; I219-L232 VanDerWaalsContact CD1-CD2 3.46Å; I219-L232 HydrophobicContact CD1-CG 3.72Å; I219-L232 HydrophobicContact CG1-CB 3.95Å; I219-L232 HydrophobicContact CG1-CD2 3.79Å; I219-L232 HydrophobicContact CG1-CG 3.68Å; I219-L232 WeakPolarHBondContact CG1-O 3.16Å; I219-L232 PolarHBondContact N-O 2.85Å; I219-H234 HydrophobicContact CB-CB 4.48Å; I219-H234 HydrophobicContact CD1-CB 4Å; I219-H234 HydrophobicContact CG1-CB 4.09Å; I219-H234 HydrophobicContact CG2-CB 3.57Å; I219-D243 WeakPolarHBondContact CD1-OD2 3.45Å
220A87.1Confident83.1Confident38 Ų3868.7 Ų68.731%0.31436%0.36SS..EExtended strand (participates in β ladder)trans-147.9154.7176.900000111.9L231 L232 W245A220-L231 CarbonylContact O-C 3.57Å; A220-L231 WeakPolarHBondContact O-CA 3.46Å; A220-L232 HydrophobicContact CB-CB 3.87Å; A220-L232 HydrophobicContact CB-CD2 4.2Å; A220-L232 PolarHBondContact O-N 3.27Å; A220-W245 HydrophobicContact CB-CH2 4.01Å
221K88.5Confident83.7Confident124 Ų12463.1 Ų63.154%0.53933%0.334SS..EExtended strand (participates in β ladder)trans-128.9127.9174.3175.4165.3171.3147.90108.4I229 K230 L231 E248K221-I229 HydrophobicContact CD-CG2 3.89Å; K221-I229 HydrophobicContact CG-CG2 3.77Å; K221-K230 WeakPolarHBondContact CA-O 3.48Å; K221-L231 HydrophobicContact CB-CD2 3.78Å; K221-L231 HydrophobicContact CD-CD2 3.8Å; K221-L231 HydrophobicContact CG-CD2 3.72Å; K221-E248 IonicContact NZ-OE1 2.88Å; K221-E248 PolarHBondContact NZ-OE1 3.25Å; K221-E248 IonicContact NZ-OE2 3.67Å
222R88.4Confident84.2Confident92 Ų9263.1 Ų63.135%0.34733%0.332SS..EExtended strand (participates in β ladder)trans-123144.517477.1-176.8-163.6-166.19.8110.2E224 K230 W245R222-E224 IonicContact CZ-OE1 3.72Å; R222-E224 IonicContact NE-OE1 3.15Å; R222-E224 IonicContact NH2-OE1 2.87Å; R222-E224 PolarHBondContact NH2-OE1 2.94Å; R222-K230 HydrophobicContact CG-CB 3.9Å; R222-K230 PolarHBondContact N-O 3.23Å; R222-K230 PolarHBondContact O-N 3.47Å; R222-W245 HydrophobicContact CB-CH2 3.96Å; R222-W245 HydrophobicContact CB-CZ3 3.82Å; R222-W245 HydrophobicContact CG-CE3 3.84Å; R222-W245 HydrophobicContact CG-CH2 3.91Å; R222-W245 HydrophobicContact CG-CZ3 3.43Å; R222-W245 VanDerWaalsContact CG-CZ3 3.43Å
223K89.3Confident84.5Confident162 Ų16263.2 Ų63.270%0.70433%0.332SS*.EExtended strand (participates in β ladder)trans-109.1122.5173.4-172.2-180179.2-174.50107.7I229K223-I229 HydrophobicContact CG-CG1 4.34Å
224E83.8Confident84.8Confident56 Ų5664.8 Ų64.826%0.26234%0.34SS..  trans-81.4155.8172.5-79.2174.3-177.100110.3R222 S226 G227 K228 K230R222-E224 IonicContact CZ-OE1 3.72Å; R222-E224 IonicContact NE-OE1 3.15Å; R222-E224 IonicContact NH2-OE1 2.87Å; R222-E224 PolarHBondContact NH2-OE1 2.94Å; E224-S226 PolarHBondContact O-N 2.88Å; E224-G227 PolarHBondContact O-N 3.48Å; E224-K228 PolarHBondContact N-O 3.45Å; E224-K230 WeakPolarHBondContact OE1-CD 3.47Å; E224-K230 WeakPolarHBondContact OE1-CE 3.41Å; E224-K230 IonicContact OE1-NZ 3.84Å; E224-K230 PolarHBondContact OE1-NZ 3.4Å; E224-K230 VanDerWaalsContact OE2-CE 3.31Å; E224-K230 WeakPolarHBondContact OE2-CE 3.48Å; E224-K230 IonicContact OE2-NZ 2.68Å; E224-K230 PolarHBondContact OE2-NZ 3.36Å
225D79.7Confident84.9Confident181 Ų18165.2 Ų65.297%0.96834%0.341SS*.THydrogen-bonded Turntrans-60.1-21.8-178.8-53.8-47.7000112.3G227D225-G227 PolarHBondContact O-N 3.37Å
226S78.6Confident84.1Confident80 Ų8066.3 Ų66.356%0.55935%0.347SS*.THydrogen-bonded Turntrans-75.67.8172.879.10000114.3E224 K228E224-S226 PolarHBondContact O-N 2.88Å; S226-K228 PolarHBondContact O-N 3.02Å
227G81.6Confident83.3Confident50 Ų5066.5 Ų66.552%0.51535%0.348SS..SBendtrans76.51-178.500000115.4E224 D225E224-G227 PolarHBondContact O-N 3.48Å; D225-G227 PolarHBondContact O-N 3.37Å
228K83.1Confident82.3Confident133 Ų13370.4 Ų70.458%0.57836%0.363SS*.  trans-85134.4-179.8-66.5178.1-176.6174.60110.6E224 S226E224-K228 PolarHBondContact N-O 3.45Å; S226-K228 PolarHBondContact O-N 3.02Å
229I85Confident81.1Confident43 Ų4373.2 Ų73.222%0.22138%0.376CS..EExtended strand (participates in β ladder)trans-98.5126.8178.2-66.6168.3000109.4K221 K223 L231 E248K221-I229 HydrophobicContact CD-CG2 3.89Å; K221-I229 HydrophobicContact CG-CG2 3.77Å; K223-I229 HydrophobicContact CG-CG1 4.34Å; I229-L231 HydrophobicContact CG2-CD2 4.29Å; I229-E248 HydrophobicContact CB-CB 4.37Å; I229-E248 WeakPolarHBondContact CB-OE2 3.3Å; I229-E248 VanDerWaalsContact CD1-OE2 3.3Å; I229-E248 WeakPolarHBondContact CD1-OE2 3.47Å; I229-E248 HydrophobicContact CG2-CB 4.26Å; I229-E248 WeakPolarHBondContact CG2-OE2 3.4Å; I229-E248 PolarHBondContact O-N 2.93Å; I229-E248 VanDerWaalsContact O-N 3.17Å
230K87.1Confident80.2Confident46 Ų4669.2 Ų69.220%0.236%0.356CS..EExtended strand (participates in β ladder)trans-112.9138.3172.7-68.1178-179.8167.20110.4K221 R222 E224 W245 V246K221-K230 WeakPolarHBondContact CA-O 3.48Å; R222-K230 HydrophobicContact CG-CB 3.9Å; R222-K230 PolarHBondContact N-O 3.23Å; R222-K230 PolarHBondContact O-N 3.47Å; E224-K230 WeakPolarHBondContact OE1-CD 3.47Å; E224-K230 WeakPolarHBondContact OE1-CE 3.41Å; E224-K230 IonicContact OE1-NZ 3.84Å; E224-K230 PolarHBondContact OE1-NZ 3.4Å; E224-K230 VanDerWaalsContact OE2-CE 3.31Å; E224-K230 WeakPolarHBondContact OE2-CE 3.48Å; E224-K230 IonicContact OE2-NZ 2.68Å; E224-K230 PolarHBondContact OE2-NZ 3.36Å; K230-W245 HydrophobicContact CB-CE3 3.91Å; K230-V246 CarbonylContact C-O 3.37Å; K230-V246 WeakPolarHBondContact CA-O 3.44Å
231L87.4Confident79.7Confident3 Ų368.6 Ų68.62%0.01635%0.347CS..EExtended strand (participates in β ladder)trans-109.1133.1177.6-57.7179.9000108.5V218 A220 K221 I229 W245 V246 E248 R251V218-L231 HydrophobicContact CG1-CB 4.17Å; V218-L231 HydrophobicContact CG1-CD2 4.14Å; V218-L231 HydrophobicContact CG2-CD1 4.29Å; A220-L231 CarbonylContact O-C 3.57Å; A220-L231 WeakPolarHBondContact O-CA 3.46Å; K221-L231 HydrophobicContact CB-CD2 3.78Å; K221-L231 HydrophobicContact CD-CD2 3.8Å; K221-L231 HydrophobicContact CG-CD2 3.72Å; I229-L231 HydrophobicContact CG2-CD2 4.29Å; L231-W245 CarbonylContact O-C 3.51Å; L231-W245 WeakPolarHBondContact O-CA 3.39Å; L231-V246 PolarHBondContact N-O 3.05Å; L231-V246 PolarHBondContact O-N 3.29Å; L231-E248 HydrophobicContact CD1-CG 4.43Å; L231-R251 HydrophobicContact CD1-CB 4.35Å; L231-R251 HydrophobicContact CD1-CG 4.32Å
232L87.4Confident79.2Confident25 Ų2567.2 Ų67.213%0.13135%0.35CS..EExtended strand (participates in β ladder)trans-85.7116.4170.7-17459.7000108.3I219 A220 D243 W245I219-L232 HydrophobicContact CD1-CD2 3.46Å; I219-L232 VanDerWaalsContact CD1-CD2 3.46Å; I219-L232 HydrophobicContact CD1-CG 3.72Å; I219-L232 HydrophobicContact CG1-CB 3.95Å; I219-L232 HydrophobicContact CG1-CD2 3.79Å; I219-L232 HydrophobicContact CG1-CG 3.68Å; I219-L232 WeakPolarHBondContact CG1-O 3.16Å; I219-L232 PolarHBondContact N-O 2.85Å; A220-L232 HydrophobicContact CB-CB 3.87Å; A220-L232 HydrophobicContact CB-CD2 4.2Å; A220-L232 PolarHBondContact O-N 3.27Å; L232-D243 HydrophobicContact CD1-CB 3.72Å; L232-D243 HydrophobicContact CG-CB 4.17Å; L232-W245 HydrophobicContact CB-CD2 4.08Å; L232-W245 HydrophobicContact CB-CE3 3.89Å; L232-W245 HydrophobicContact CB-CH2 3.86Å; L232-W245 HydrophobicContact CB-CZ2 4.04Å; L232-W245 HydrophobicContact CB-CZ3 3.77Å; L232-W245 HydrophobicContact CD1-CD2 3.97Å; L232-W245 HydrophobicContact CD1-CG 4.07Å; L232-W245 HydrophobicContact CD1-CZ2 4.35Å; L232-W245 HydrophobicContact CD2-CH2 4.49Å; L232-W245 HydrophobicContact CD2-CZ2 4.06Å; L232-W245 HydrophobicContact CG-CZ2 4.39Å
233L85.5Confident79.1Confident2 Ų266.3 Ų66.31%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-94.6125.3177.3-60.4-173.6000109.7T217 V218 D243 V244 V246 L254T217-L233 CarbonylContact O-C 3.46Å; T217-L233 WeakPolarHBondContact O-CA 3.48Å; V218-L233 HydrophobicContact CG2-CD2 3.79Å; L233-D243 VanDerWaalsContact O-CA 3.28Å; L233-D243 WeakPolarHBondContact O-CA 3.19Å; L233-V244 PolarHBondContact N-O 3.36Å; L233-V244 PolarHBondContact O-N 3.32Å; L233-V244 VanDerWaalsContact O-N 3.1Å; L233-V246 HydrophobicContact CD1-CB 3.92Å; L233-V246 HydrophobicContact CD1-CG1 4.28Å; L233-V246 HydrophobicContact CD1-CG2 3.58Å; L233-V246 HydrophobicContact CG-CB 4.19Å; L233-V246 HydrophobicContact CG-CG2 4.03Å; L233-L254 HydrophobicContact CD1-CB 4.05Å
234H84.9Confident78.9Confident39 Ų3961.7 Ų61.718%0.18134%0.338CS..EExtended strand (participates in β ladder)trans-100.9142.3168.1-177.967.3000109.6S216 T217 I219 D243S216-H234 CarbonylContact C-O 3.11Å; S216-H234 VanDerWaalsContact CA-O 3.26Å; S216-H234 WeakPolarHBondContact CA-O 3.47Å; T217-H234 PolarHBondContact N-O 3.04Å; T217-H234 PolarHBondContact O-N 3.3Å; T217-H234 PolarHBondContact OG1-O 3.25Å; I219-H234 HydrophobicContact CB-CB 4.48Å; I219-H234 HydrophobicContact CD1-CB 4Å; I219-H234 HydrophobicContact CG1-CB 4.09Å; I219-H234 HydrophobicContact CG2-CB 3.57Å; H234-D243 WeakPolarHBondContact CA-OD1 3.46Å; H234-D243 IonicContact CE1-OD1 3.8Å; H234-D243 IonicContact CG-OD1 2.65Å; H234-D243 IonicContact ND1-OD1 2.65Å; H234-D243 PolarHBondContact ND1-OD1 2.89Å; H234-D243 IonicContact ND1-OD2 2.89Å
235W83.2Confident79Confident8 Ų863.8 Ų63.83%0.0334%0.343CS..EExtended strand (participates in β ladder)trans-108130.3-174.6-59.695.8000111.4F214 P237 L241 P242 L254 K257F214-W235 HydrophobicContact CB-CB 4.38Å; F214-W235 HydrophobicContact CB-CD2 4.38Å; F214-W235 HydrophobicContact CB-CE3 3.66Å; F214-W235 HydrophobicContact CB-CZ3 4.38Å; F214-W235 HydrophobicContact CD1-CB 4.32Å; W235-P237 CarbonylContact O-C 3.53Å; W235-L241 HydrophobicContact CB-CB 4.05Å; W235-L241 HydrophobicContact CB-CD1 4.47Å; W235-L241 HydrophobicContact CD2-CD1 4.22Å; W235-L241 HydrophobicContact CG-CB 3.88Å; W235-L241 HydrophobicContact CG-CD1 4.12Å; W235-P242 PolarHBondContact NE1-O 3.46Å; W235-L254 HydrophobicContact CH2-CB 4.41Å; W235-L254 HydrophobicContact CH2-CD2 4.38Å; W235-K257 HydrophobicContact CE3-CB 4.24Å; W235-K257 HydrophobicContact CH2-CB 3.73Å; W235-K257 HydrophobicContact CH2-CD 3.79Å; W235-K257 HydrophobicContact CH2-CG 4.4Å; W235-K257 HydrophobicContact CZ2-CD 4.11Å; W235-K257 HydrophobicContact CZ3-CB 3.41Å; W235-K257 VanDerWaalsContact CZ3-CB 3.41Å; W235-K257 HydrophobicContact CZ3-CD 4.16Å; W235-K257 HydrophobicContact CZ3-CG 4.44Å
236M63Low79.3Confident89 Ų8955.6 Ų55.644%0.43830%0.3SS..EExtended strand (participates in β ladder)trans-104134.9167.6-58.7-166.5-4500109.8F214 H215 T217F214-M236 CarbonylContact C-O 3.49Å; F214-M236 VanDerWaalsContact CA-O 3.26Å; F214-M236 WeakPolarHBondContact CA-O 3.48Å; H215-M236 PolarHBondContact N-O 3.49Å; H215-M236 PolarHBondContact O-N 3.09Å; T217-M236 HydrophobicContact CG2-CE 4.43Å; T217-M236 HydrophobicContact CG2-SD 4.45Å
237P67.6Low79.6Confident28 Ų2854.3 Ų54.318%0.18229%0.287CS..SBendcis-69.4146.66.6-15.129000114.3S200 W235 I240S200-P237 WeakPolarHBondContact O-CG 3.34Å; W235-P237 CarbonylContact O-C 3.53Å; P237-I240 HydrophobicContact CB-CD1 3.88Å; P237-I240 HydrophobicContact CG-CD1 4.37Å
238E63.9Low79.6Confident136 Ų13655.7 Ų55.764%0.63628%0.28SS*.THydrogen-bonded Turntrans-58.7152.4-170.9-69.2-179.7166.100113.4I240E238-I240 VanDerWaalsContact C-N 3.26Å; E238-I240 PolarHBondContact O-N 3.26Å; E238-I240 VanDerWaalsContact O-N 3.11Å
239D60.6Low79.3Confident113 Ų11354.3 Ų54.360%0.60429%0.287SS*.THydrogen-bonded Turntrans63.38.3170.5-58.9-34.4000118.4T268 L271D239-T268 WeakPolarHBondContact O-CB 3.26Å; D239-T268 WeakPolarHBondContact O-CG2 3.45Å; D239-L271 HydrophobicContact CB-CD1 3.94Å
240I69.4Low78.8Confident6 Ų656.2 Ų56.23%0.03130%0.295CS..SBendtrans-93.4-40.5-179.7-59.8152.2000112.6F214 P237 E238 L264 T268 L272F214-I240 HydrophobicContact CE1-CB 3.71Å; F214-I240 HydrophobicContact CE1-CD1 3.75Å; F214-I240 HydrophobicContact CE1-CG1 4.38Å; F214-I240 HydrophobicContact CE1-CG2 3.74Å; F214-I240 HydrophobicContact CZ-CB 4.07Å; F214-I240 HydrophobicContact CZ-CD1 4.25Å; F214-I240 HydrophobicContact CZ-CG2 3.54Å; P237-I240 HydrophobicContact CB-CD1 3.88Å; P237-I240 HydrophobicContact CG-CD1 4.37Å; E238-I240 VanDerWaalsContact C-N 3.26Å; E238-I240 PolarHBondContact O-N 3.26Å; E238-I240 VanDerWaalsContact O-N 3.11Å; I240-L264 HydrophobicContact CG2-CD2 3.88Å; I240-T268 PolarHBondContact O-OG1 3.28Å; I240-T268 VanDerWaalsContact O-OG1 3.06Å; I240-L272 HydrophobicContact CD1-CD2 3.38Å; I240-L272 HydrophobicContact CD1-CG 4Å; I240-L272 HydrophobicContact CG1-CD2 4.16Å; I240-L272 HydrophobicContact CG1-CG 4.23Å
241L75.8Confident78.3Confident25 Ų2559.1 Ų59.113%0.13130%0.304CS..SBendtrans-117137.8178.5-69.2178.3000110.2F214 W235 K257 V259F214-L241 HydrophobicContact CB-CD1 4.19Å; F214-L241 HydrophobicContact CD1-CD1 3.94Å; F214-L241 HydrophobicContact CD1-CG 4.32Å; F214-L241 HydrophobicContact CD2-CD1 3.59Å; F214-L241 HydrophobicContact CD2-CG 4.45Å; F214-L241 HydrophobicContact CE1-CD1 4.25Å; F214-L241 HydrophobicContact CE1-CG 4.22Å; F214-L241 HydrophobicContact CE2-CD1 3.91Å; F214-L241 HydrophobicContact CE2-CG 4.34Å; F214-L241 HydrophobicContact CG-CD1 3.61Å; F214-L241 HydrophobicContact CG-CG 4.44Å; F214-L241 HydrophobicContact CZ-CD1 4.23Å; F214-L241 HydrophobicContact CZ-CG 4.23Å; W235-L241 HydrophobicContact CB-CB 4.05Å; W235-L241 HydrophobicContact CB-CD1 4.47Å; W235-L241 HydrophobicContact CD2-CD1 4.22Å; W235-L241 HydrophobicContact CG-CB 3.88Å; W235-L241 HydrophobicContact CG-CD1 4.12Å; L241-K257 HydrophobicContact CD1-CD 4.47Å; L241-V259 HydrophobicContact CD1-CG2 4.4Å
242P79Confident77.6Confident94 Ų9465.5 Ų65.561%0.6133%0.334SS*.  trans-67.8153.8177.229.4-35.1000111.5W235W235-P242 PolarHBondContact NE1-O 3.46Å
243D85Confident77.1Confident74 Ų7472 Ų7240%0.39636%0.364SS..  trans-67.4134.7175.3-61.7-17.8000110.7I219 L232 L233 H234I219-D243 WeakPolarHBondContact CD1-OD2 3.45Å; L232-D243 HydrophobicContact CD1-CB 3.72Å; L232-D243 HydrophobicContact CG-CB 4.17Å; L233-D243 VanDerWaalsContact O-CA 3.28Å; L233-D243 WeakPolarHBondContact O-CA 3.19Å; H234-D243 WeakPolarHBondContact CA-OD1 3.46Å; H234-D243 IonicContact CE1-OD1 3.8Å; H234-D243 IonicContact CG-OD1 2.65Å; H234-D243 IonicContact ND1-OD1 2.65Å; H234-D243 PolarHBondContact ND1-OD1 2.89Å; H234-D243 IonicContact ND1-OD2 2.89Å
244V85.4Confident76.7Confident65 Ų6574.3 Ų74.339%0.39438%0.376SS..EExtended strand (participates in β ladder)trans-124.6133.5-175.3-179.50000111L233 V246L233-V244 PolarHBondContact N-O 3.36Å; L233-V244 PolarHBondContact O-N 3.32Å; L233-V244 VanDerWaalsContact O-N 3.1Å; V244-V246 HydrophobicContact CB-CG2 4.44Å; V244-V246 HydrophobicContact CG1-CG2 3.93Å
245W86.2Confident76.2Confident99 Ų9977.4 Ų77.438%0.37539%0.389SS..EExtended strand (participates in β ladder)trans-77.9120.2169.5-71.197.7000110.5A220 R222 K230 L231 L232A220-W245 HydrophobicContact CB-CH2 4.01Å; R222-W245 HydrophobicContact CB-CH2 3.96Å; R222-W245 HydrophobicContact CB-CZ3 3.82Å; R222-W245 HydrophobicContact CG-CE3 3.84Å; R222-W245 HydrophobicContact CG-CH2 3.91Å; R222-W245 HydrophobicContact CG-CZ3 3.43Å; R222-W245 VanDerWaalsContact CG-CZ3 3.43Å; K230-W245 HydrophobicContact CB-CE3 3.91Å; L231-W245 CarbonylContact O-C 3.51Å; L231-W245 WeakPolarHBondContact O-CA 3.39Å; L232-W245 HydrophobicContact CB-CD2 4.08Å; L232-W245 HydrophobicContact CB-CE3 3.89Å; L232-W245 HydrophobicContact CB-CH2 3.86Å; L232-W245 HydrophobicContact CB-CZ2 4.04Å; L232-W245 HydrophobicContact CB-CZ3 3.77Å; L232-W245 HydrophobicContact CD1-CD2 3.97Å; L232-W245 HydrophobicContact CD1-CG 4.07Å; L232-W245 HydrophobicContact CD1-CZ2 4.35Å; L232-W245 HydrophobicContact CD2-CH2 4.49Å; L232-W245 HydrophobicContact CD2-CZ2 4.06Å; L232-W245 HydrophobicContact CG-CZ2 4.39Å
246V86.8Confident76.1Confident10 Ų1080.8 Ų80.86%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-125.3146.7-176.2176.70000109.8K230 L231 L233 V244 E250 L254K230-V246 CarbonylContact C-O 3.37Å; K230-V246 WeakPolarHBondContact CA-O 3.44Å; L231-V246 PolarHBondContact N-O 3.05Å; L231-V246 PolarHBondContact O-N 3.29Å; L233-V246 HydrophobicContact CD1-CB 3.92Å; L233-V246 HydrophobicContact CD1-CG1 4.28Å; L233-V246 HydrophobicContact CD1-CG2 3.58Å; L233-V246 HydrophobicContact CG-CB 4.19Å; L233-V246 HydrophobicContact CG-CG2 4.03Å; V244-V246 HydrophobicContact CB-CG2 4.44Å; V244-V246 HydrophobicContact CG1-CG2 3.93Å; V246-E250 HydrophobicContact CG1-CB 3.57Å; V246-L254 HydrophobicContact CB-CD1 4.48Å; V246-L254 HydrophobicContact CG1-CD1 3.64Å; V246-L254 HydrophobicContact CG2-CD1 3.94Å
247N83.1Confident77Confident53 Ų5380.6 Ų80.628%0.28341%0.407SS..EExtended strand (participates in β ladder)trans-68.6147.1176.4-60.7-42.6000111S249 E250N247-S249 PolarHBondContact O-N 3.15Å; N247-S249 VanDerWaalsContact O-N 3.08Å; N247-E250 PolarHBondContact ND2-OE1 3.05Å; N247-E250 PolarHBondContact O-N 3.09Å
248E81.6Confident77.7Confident79 Ų7983.3 Ų83.337%0.36942%0.423SS..G310 helixtrans-56.1-29.8178.9-170.9160.1-134.300113K221 I229 L231 R251K221-E248 IonicContact NZ-OE1 2.88Å; K221-E248 PolarHBondContact NZ-OE1 3.25Å; K221-E248 IonicContact NZ-OE2 3.67Å; I229-E248 HydrophobicContact CB-CB 4.37Å; I229-E248 WeakPolarHBondContact CB-OE2 3.3Å; I229-E248 VanDerWaalsContact CD1-OE2 3.3Å; I229-E248 WeakPolarHBondContact CD1-OE2 3.47Å; I229-E248 HydrophobicContact CG2-CB 4.26Å; I229-E248 WeakPolarHBondContact CG2-OE2 3.4Å; I229-E248 PolarHBondContact O-N 2.93Å; I229-E248 VanDerWaalsContact O-N 3.17Å; L231-E248 HydrophobicContact CD1-CG 4.43Å; E248-R251 VanDerWaalsContact O-CB 3.32Å; E248-R251 WeakPolarHBondContact O-CB 3.47Å; E248-R251 PolarHBondContact O-N 3.11Å
249S77.1Confident78.6Confident104 Ų10477.7 Ų77.773%0.72740%0.398SS*.G310 helixtrans-63.9-36.7175.5-37.80000113.6N247 R251N247-S249 PolarHBondContact O-N 3.15Å; N247-S249 VanDerWaalsContact O-N 3.08Å; S249-R251 VanDerWaalsContact C-N 3.33Å
250E75.8Confident79.5Confident83 Ų8376 Ų7639%0.38839%0.386SS..G310 helixtrans-87.2-6.4-174.5-70.7163.8-141.900112.4V246 N247 H252 Q253 L254V246-E250 HydrophobicContact CG1-CB 3.57Å; N247-E250 PolarHBondContact ND2-OE1 3.05Å; N247-E250 PolarHBondContact O-N 3.09Å; E250-H252 VanDerWaalsContact C-N 3.25Å; E250-H252 PolarHBondContact O-N 2.93Å; E250-Q253 PolarHBondContact O-N 3.34Å; E250-Q253 VanDerWaalsContact O-N 3.12Å; E250-L254 HydrophobicContact CB-CD1 4.43Å; E250-L254 PolarHBondContact O-N 2.84Å
251R74.7Confident79.8Confident106 Ų10679.5 Ų79.540%0.441%0.405SS..G310 helixtrans-52-42.2180-178.6-174.1178139.42.7112.9L231 E248 S249 Q253 L254 K255L231-R251 HydrophobicContact CD1-CB 4.35Å; L231-R251 HydrophobicContact CD1-CG 4.32Å; E248-R251 VanDerWaalsContact O-CB 3.32Å; E248-R251 WeakPolarHBondContact O-CB 3.47Å; E248-R251 PolarHBondContact O-N 3.11Å; S249-R251 VanDerWaalsContact C-N 3.33Å; R251-Q253 VanDerWaalsContact C-N 3.28Å; R251-Q253 PolarHBondContact O-N 2.79Å; R251-L254 PolarHBondContact O-N 2.89Å; R251-K255 VanDerWaalsContact O-CG 3.32Å; R251-K255 WeakPolarHBondContact O-CG 3.49Å; R251-K255 PolarHBondContact O-N 2.75Å
252H73.4Confident79.9Confident137 Ų13782.8 Ų82.863%0.63443%0.43SS*.G310 helixtrans-67.6-30.4-174.9-72.788.6000112.8E250E250-H252 VanDerWaalsContact C-N 3.25Å; E250-H252 PolarHBondContact O-N 2.93Å
253Q77.4Confident79.9Confident162 Ų16286.4 Ų86.476%0.75744%0.436SS*.THydrogen-bonded Turntrans-84.3-27.3-178.5-62.8179.522.900112.4E250 R251E250-Q253 PolarHBondContact O-N 3.34Å; E250-Q253 VanDerWaalsContact O-N 3.12Å; R251-Q253 VanDerWaalsContact C-N 3.28Å; R251-Q253 PolarHBondContact O-N 2.79Å
254L77.4Confident79.6Confident50 Ų5083.5 Ų83.526%0.26242%0.42SS..SBendtrans-99.89.4-174.8-71.7168.3000114.5S216 L233 W235 V246 E250 R251 T256S216-L254 WeakPolarHBondContact CB-O 3.23Å; S216-L254 PolarHBondContact OG-O 2.76Å; L233-L254 HydrophobicContact CD1-CB 4.05Å; W235-L254 HydrophobicContact CH2-CB 4.41Å; W235-L254 HydrophobicContact CH2-CD2 4.38Å; V246-L254 HydrophobicContact CB-CD1 4.48Å; V246-L254 HydrophobicContact CG1-CD1 3.64Å; V246-L254 HydrophobicContact CG2-CD1 3.94Å; E250-L254 HydrophobicContact CB-CD1 4.43Å; E250-L254 PolarHBondContact O-N 2.84Å; R251-L254 PolarHBondContact O-N 2.89Å; L254-T256 PolarHBondContact O-N 2.75Å
255K74.7Confident79.2Confident105 Ų10583.1 Ų83.146%0.45742%0.419SS..SBendtrans-54.8-37.1175.7-67.7-172.3178177.10112.5S216 R251S216-K255 PolarHBondContact N-O 3.13Å; S216-K255 WeakPolarHBondContact OG-CA 3.14Å; R251-K255 VanDerWaalsContact O-CG 3.32Å; R251-K255 WeakPolarHBondContact O-CG 3.49Å; R251-K255 PolarHBondContact O-N 2.75Å
256T80.3Confident78.5Confident79 Ų7987 Ų8749%0.48544%0.438SS..EExtended strand (participates in β ladder)trans-132.6135.6176.153.40000109.7F214 L254F214-T256 CarbonylContact O-C 3.58Å; F214-T256 WeakPolarHBondContact O-CA 3.34Å; L254-T256 PolarHBondContact O-N 2.75Å
257K81.5Confident77.7Confident84 Ų8493.1 Ų93.137%0.36547%0.471SS..EExtended strand (participates in β ladder)trans-129.7122178.2-174.2179.8178.9179.20109.7F214 W235 L241 V259F214-K257 PolarHBondContact N-O 2.85Å; F214-K257 PolarHBondContact O-N 3.28Å; W235-K257 HydrophobicContact CE3-CB 4.24Å; W235-K257 HydrophobicContact CH2-CB 3.73Å; W235-K257 HydrophobicContact CH2-CD 3.79Å; W235-K257 HydrophobicContact CH2-CG 4.4Å; W235-K257 HydrophobicContact CZ2-CD 4.11Å; W235-K257 HydrophobicContact CZ3-CB 3.41Å; W235-K257 VanDerWaalsContact CZ3-CB 3.41Å; W235-K257 HydrophobicContact CZ3-CD 4.16Å; W235-K257 HydrophobicContact CZ3-CG 4.44Å; L241-K257 HydrophobicContact CD1-CD 4.47Å; K257-V259 HydrophobicContact CD-CG2 4.15Å; K257-V259 HydrophobicContact CG-CG2 3.94Å
258V82.6Confident77.1Confident86 Ų8692.2 Ų92.252%0.52147%0.468SS..EExtended strand (participates in β ladder)trans-97.2121.4176.8-174.20000108.7S211 V212 V213S211-V258 VanDerWaalsContact CB-CG1 3.46Å; V212-V258 WeakPolarHBondContact O-CA 3.24Å; V213-V258 HydrophobicContact CG2-CG1 4.47Å; V213-V258 HydrophobicContact CG2-CG2 4.04Å
259V81.9Confident76.5Confident17 Ų1789.6 Ų89.610%0.10346%0.459CS..EExtended strand (participates in β ladder)trans-123.6129-179.2-175.50000109.8S211 V212 F214 L241 K257 K263 L264S211-V259 CarbonylContact C-O 3.59Å; S211-V259 VanDerWaalsContact CA-O 3.29Å; S211-V259 WeakPolarHBondContact CA-O 3.31Å; V212-V259 PolarHBondContact N-O 3.11Å; V212-V259 PolarHBondContact O-N 2.82Å; F214-V259 HydrophobicContact CD2-CB 4.37Å; F214-V259 HydrophobicContact CD2-CG2 4.07Å; F214-V259 HydrophobicContact CE2-CB 4.04Å; F214-V259 HydrophobicContact CE2-CG2 4.16Å; L241-V259 HydrophobicContact CD1-CG2 4.4Å; K257-V259 HydrophobicContact CD-CG2 4.15Å; K257-V259 HydrophobicContact CG-CG2 3.94Å; V259-K263 HydrophobicContact CG1-CB 4.19Å; V259-L264 HydrophobicContact CB-CD2 4.27Å; V259-L264 HydrophobicContact CG1-CD2 3.84Å; V259-L264 HydrophobicContact CG1-CG 4.38Å
260H79.5Confident76.2Confident79 Ų7988.4 Ų88.437%0.36644%0.444SS..EExtended strand (participates in β ladder)trans-66.5140.5176.1-171.4-96.4000111.4H210 S262 K263H210-H260 PolarHBondContact O-CD2 3.42Å; H260-S262 PolarHBondContact CE1-OG 3.43Å; H260-S262 WeakPolarHBondContact ND1-CB 3.36Å; H260-S262 PolarHBondContact ND1-N 3.41Å; H260-S262 PolarHBondContact ND1-OG 2.9Å; H260-S262 PolarHBondContact O-N 3.23Å; H260-S262 VanDerWaalsContact O-N 3.1Å; H260-K263 PolarHBondContact O-N 3.06Å
261L77.1Confident75.8Confident79 Ų7989.8 Ų89.841%0.41445%0.454SS..G310 helixtrans-54.4-36.1-175.4-9375000113.3H210 V212 K263 L264H210-L261 VanDerWaalsContact C-CD1 3.41Å; H210-L261 VanDerWaalsContact O-CD1 3.24Å; H210-L261 WeakPolarHBondContact O-CD1 3.41Å; H210-L261 PolarHBondContact O-N 3.5Å; V212-L261 HydrophobicContact CG2-CD1 3.64Å; V212-L261 HydrophobicContact CG2-CG 4.26Å; L261-K263 PolarHBondContact O-N 3.47Å; L261-L264 PolarHBondContact O-N 3.04Å
262S76.5Confident75.5Confident94 Ų9486.2 Ų86.266%0.65744%0.442SS*.G310 helixtrans-70.6-15.518073.50000114.7H260H260-S262 PolarHBondContact CE1-OG 3.43Å; H260-S262 WeakPolarHBondContact ND1-CB 3.36Å; H260-S262 PolarHBondContact ND1-N 3.41Å; H260-S262 PolarHBondContact ND1-OG 2.9Å; H260-S262 PolarHBondContact O-N 3.23Å; H260-S262 VanDerWaalsContact O-N 3.1Å
263K80.3Confident75.1Confident169 Ų16981.3 Ų81.374%0.73542%0.421SS*.G310 helixtrans-98.2-0.7-180-64.6-173.5178.4-177.90112.3V259 H260 L261V259-K263 HydrophobicContact CG1-CB 4.19Å; H260-K263 PolarHBondContact O-N 3.06Å; L261-K263 PolarHBondContact O-N 3.47Å
264L77.8Confident74.4Confident13 Ų1377.6 Ų77.67%0.06841%0.411CS..SBendtrans-73.6145.2175.7-66.9174000110.6V212 F214 I240 V259 L261 K266 A269 L272V212-L264 HydrophobicContact CG2-CD1 4.04Å; F214-L264 HydrophobicContact CE2-CD2 3.99Å; F214-L264 HydrophobicContact CZ-CD2 3.93Å; I240-L264 HydrophobicContact CG2-CD2 3.88Å; V259-L264 HydrophobicContact CB-CD2 4.27Å; V259-L264 HydrophobicContact CG1-CD2 3.84Å; V259-L264 HydrophobicContact CG1-CG 4.38Å; L261-L264 PolarHBondContact O-N 3.04Å; L264-K266 PolarHBondContact O-N 2.85Å; L264-A269 HydrophobicContact CB-CB 4.48Å; L264-L272 HydrophobicContact CD1-CD1 3.9Å
265P78.3Confident73.8Confident57 Ų5777.9 Ų77.937%0.3741%0.412SS..  trans-57.4128.8172.5-18.530.1000110.1D267 T268 A269P265-D267 PolarHBondContact O-N 3.46Å; P265-T268 WeakPolarHBondContact CB-OG1 3.46Å; P265-T268 PolarHBondContact O-N 3Å; P265-T268 PolarHBondContact O-OG1 3.47Å; P265-A269 VanDerWaalsContact O-CB 3.27Å; P265-A269 WeakPolarHBondContact O-CB 3.37Å; P265-A269 PolarHBondContact O-N 3.45Å
266K70.4Confident73.3Confident180 Ų18077.3 Ų77.378%0.78341%0.414SS*.THydrogen-bonded Turntrans-63.4-30.8-173.4-67-177.2-179.2176.30112.9L264L264-K266 PolarHBondContact O-N 2.85Å
267D70Confident72.3Confident139 Ų13981.6 Ų81.674%0.74342%0.422SS*.THydrogen-bonded Turntrans-73.7-41.4-177.9-56.2-27.4000111.3P265P265-D267 PolarHBondContact O-N 3.46Å
268T70.1Confident71.4Confident35 Ų3583.5 Ų83.522%0.21543%0.427CS..G310 helixtrans-83.2-22.2177.762.30000112.7D239 I240 P265 L270 L271D239-T268 WeakPolarHBondContact O-CB 3.26Å; D239-T268 WeakPolarHBondContact O-CG2 3.45Å; I240-T268 PolarHBondContact O-OG1 3.28Å; I240-T268 VanDerWaalsContact O-OG1 3.06Å; P265-T268 WeakPolarHBondContact CB-OG1 3.46Å; P265-T268 PolarHBondContact O-N 3Å; P265-T268 PolarHBondContact O-OG1 3.47Å; T268-L270 PolarHBondContact O-N 3.38Å; T268-L270 VanDerWaalsContact O-N 3.16Å; T268-L271 VanDerWaalsContact O-CB 3.3Å; T268-L271 WeakPolarHBondContact O-CB 3.17Å; T268-L271 PolarHBondContact O-N 2.65Å
269A70.7Confident70.1Confident23 Ų2383 Ų8319%0.1942%0.424CS..G310 helixtrans-61.2-22.617400000113.1L264 P265 L271 L272 I276L264-A269 HydrophobicContact CB-CB 4.48Å; P265-A269 VanDerWaalsContact O-CB 3.27Å; P265-A269 WeakPolarHBondContact O-CB 3.37Å; P265-A269 PolarHBondContact O-N 3.45Å; A269-L271 VanDerWaalsContact C-N 3.29Å; A269-L272 WeakPolarHBondContact O-CB 3.29Å; A269-L272 PolarHBondContact O-N 2.96Å; A269-I276 WeakPolarHBondContact O-CD1 3.47Å
270L69Low69.1Low79 Ų7990 Ų9041%0.41446%0.457SS..G310 helixtrans-73.7-19.9174.3-61.7178.9000113.1T268 L272 D273 I276T268-L270 PolarHBondContact O-N 3.38Å; T268-L270 VanDerWaalsContact O-N 3.16Å; L270-L272 VanDerWaalsContact C-N 3.29Å; L270-D273 CarbonylContact O-C 3.55Å; L270-I276 HydrophobicContact CD2-CG2 4.15Å
271L68.9Low68.3Low112 Ų11290 Ų9059%0.58646%0.464SS*.G310 helixtrans-76.3-18.8176.7-58.9175.4000112.2D239 T268 A269 D273D239-L271 HydrophobicContact CB-CD1 3.94Å; T268-L271 VanDerWaalsContact O-CB 3.3Å; T268-L271 WeakPolarHBondContact O-CB 3.17Å; T268-L271 PolarHBondContact O-N 2.65Å; A269-L271 VanDerWaalsContact C-N 3.29Å; L271-D273 PolarHBondContact O-N 3.01Å
272L67.3Low67.4Low31 Ų3192.6 Ų92.616%0.16248%0.475CS..SBendtrans-62.7-39.4177.7-78.8162.7000112.7F197 I240 L264 A269 L270 I276F197-L272 HydrophobicContact CE2-CB 3.92Å; F197-L272 HydrophobicContact CE2-CD2 3.8Å; F197-L272 HydrophobicContact CE2-CG 4.45Å; F197-L272 HydrophobicContact CZ-CB 4.43Å; F197-L272 HydrophobicContact CZ-CD2 4.22Å; I240-L272 HydrophobicContact CD1-CD2 3.38Å; I240-L272 HydrophobicContact CD1-CG 4Å; I240-L272 HydrophobicContact CG1-CD2 4.16Å; I240-L272 HydrophobicContact CG1-CG 4.23Å; L264-L272 HydrophobicContact CD1-CD1 3.9Å; A269-L272 WeakPolarHBondContact O-CB 3.29Å; A269-L272 PolarHBondContact O-N 2.96Å; L270-L272 VanDerWaalsContact C-N 3.29Å; L272-I276 HydrophobicContact CB-CD1 3.9Å
273D65.1Low66.7Low35 Ų3597 Ų9719%0.18748%0.482CS..  trans-154.3125.5169.4-179.4-29.6000109.7L270 L271 N275 I276L270-D273 CarbonylContact O-C 3.55Å; L271-D273 PolarHBondContact O-N 3.01Å; D273-N275 PolarHBondContact O-N 3.37Å; D273-N275 WeakPolarHBondContact OD1-CA 3.36Å; D273-N275 VanDerWaalsContact OD1-CB 3.26Å; D273-N275 WeakPolarHBondContact OD1-CB 3.48Å; D273-N275 PolarHBondContact OD1-N 3.39Å; D273-N275 PolarHBondContact OD1-ND2 2.98Å; D273-I276 HydrophobicContact CB-CD1 3.85Å; D273-I276 HydrophobicContact CB-CG1 3.9Å; D273-I276 WeakPolarHBondContact O-CB 3.46Å; D273-I276 WeakPolarHBondContact O-CG1 3.33Å; D273-I276 PolarHBondContact O-N 3.42Å
274P64.1Low65.7Low83 Ų8398.9 Ų98.954%0.53948%0.484SS..THydrogen-bonded Turntrans-62.6-4.9179.926.4-35.7000114.4R278P274-R278 WeakPolarHBondContact O-CG 3.14Å; P274-R278 PolarHBondContact O-NE 3.07Å
275N63.6Low65Low56 Ų56104.2 Ų104.230%0.29951%0.512SS..THydrogen-bonded Turntrans-103.7-4.2176.5-48.4-67.3000113.6R193 D273 Y277 R278R193-N275 PolarHBondContact NH1-ND2 2.62Å; R193-N275 PolarHBondContact NH1-OD1 3.46Å; D273-N275 PolarHBondContact O-N 3.37Å; D273-N275 WeakPolarHBondContact OD1-CA 3.36Å; D273-N275 VanDerWaalsContact OD1-CB 3.26Å; D273-N275 WeakPolarHBondContact OD1-CB 3.48Å; D273-N275 PolarHBondContact OD1-N 3.39Å; D273-N275 PolarHBondContact OD1-ND2 2.98Å; N275-Y277 PolarHBondContact O-N 2.92Å; N275-R278 PolarHBondContact OD1-NE 3.04Å; N275-R278 PolarHBondContact OD1-NH2 3.06Å
276I65.4Low64.2Low94 Ų94109.2 Ų109.248%0.48253%0.528SS..SBendtrans-58.5-38.3171.7-69.5163.6000109.8A269 L270 L272 D273A269-I276 WeakPolarHBondContact O-CD1 3.47Å; L270-I276 HydrophobicContact CD2-CG2 4.15Å; L272-I276 HydrophobicContact CB-CD1 3.9Å; D273-I276 HydrophobicContact CB-CD1 3.85Å; D273-I276 HydrophobicContact CB-CG1 3.9Å; D273-I276 WeakPolarHBondContact O-CB 3.46Å; D273-I276 WeakPolarHBondContact O-CG1 3.33Å; D273-I276 PolarHBondContact O-N 3.42Å
277Y58.3Low63.6Low169 Ų169110.8 Ų110.866%0.66353%0.529SS*.SBendtrans-148.2110.8173.5-161.3-99.3000110.7N275N275-Y277 PolarHBondContact O-N 2.92Å
278R63Low62.9Low124 Ų124108.9 Ų108.947%0.46852%0.523SS..  trans-112.6129.5167.1-72.5-170.4-178.2-102.8-1.2109.8P274 N275 M280P274-R278 WeakPolarHBondContact O-CG 3.14Å; P274-R278 PolarHBondContact O-NE 3.07Å; N275-R278 PolarHBondContact OD1-NE 3.04Å; N275-R278 PolarHBondContact OD1-NH2 3.06Å; R278-M280 PolarHBondContact O-N 3.44Å
279T54.8Low62.2Low76 Ų76111.9 Ų111.947%0.46654%0.537SS..PPolyproline II helixtrans-78.8116.9173-51.70000108.9P281 Q282T279-P281 CarbonylContact O-C 3.58Å; T279-Q282 PolarHBondContact O-N 2.9Å; T279-Q282 PolarHBondContact O-OE1 3.13Å
280M61.1Low61.5Low162 Ų162115.8 Ų115.880%0.79855%0.553SS**SBendtrans-99.6124.1172.8-69-68.1-84.200109.2R278R278-M280 PolarHBondContact O-N 3.44Å
281P61.5Low60.9Low79 Ų79120.8 Ų120.851%0.51357%0.567SS.*SBendcis-86.2144.36.933.3-34.2000114.4T279 K283 R284T279-P281 CarbonylContact O-C 3.58Å; P281-K283 PolarHBondContact O-N 3.29Å; P281-R284 HydrophobicContact CG-CG 4.37Å
282Q58.2Low60.3Low134 Ų134122.9 Ų122.963%0.62657%0.571SS**SBendtrans-64.7-25.4178-162.470.1-4.700113.3T279T279-Q282 PolarHBondContact O-N 2.9Å; T279-Q282 PolarHBondContact O-OE1 3.13Å
283K62.8Low59.9Low186 Ų186125.9 Ų125.981%0.80959%0.59SS**SBendtrans-117.6106168.9-70.5-177.1-179.1179.40108.5P281 L285P281-K283 PolarHBondContact O-N 3.29Å; K283-L285 PolarHBondContact O-N 3.36Å
284R59.3Low59.7Low210 Ų210130.6 Ų130.679%0.79261%0.61SS**  trans-76.1108.1171.9-68.5-177.5117.2160.73.4108.9P281 K286P281-R284 HydrophobicContact CG-CG 4.37Å; R284-K286 PolarHBondContact O-N 3.12Å
285L63.6Low59.4Low124 Ų124131.8 Ų131.865%0.64961%0.611SS**  trans-62.6130.7164.5-72167.7000108.3K283 R287K283-L285 PolarHBondContact O-N 3.36Å; L285-R287 PolarHBondContact O-N 3.34Å
286K60.8Low59.2Low163 Ų163134.7 Ų134.771%0.70963%0.626SS**  trans-53.9131.9177.7-72.6-176.3178.8179.50109R284 T288 L289R284-K286 PolarHBondContact O-N 3.12Å; K286-T288 PolarHBondContact O-N 2.88Å; K286-L289 PolarHBondContact O-N 3.41Å
287R58.8Low58.9Low213 Ų213138.2 Ų138.280%0.80464%0.635SS**Hα-helixtrans-52.9-20-176.7-162.9175.2170.2-175.8-2.8113.9L285L285-R287 PolarHBondContact O-N 3.34Å
288T54.2Low58.9Low98 Ų98134.6 Ų134.660%0.60163%0.627SS**Hα-helixtrans-72.1-31.1174.544.30000114.2K286 K292K286-T288 PolarHBondContact O-N 2.88Å; T288-K292 PolarHBondContact O-N 2.99Å
289L55.3Low58.4Low98 Ų98133.3 Ų133.351%0.51364%0.636SS.*Hα-helixtrans-72.5-37.7176.7-104.8110.5000112K286 R291 K292 V293K286-L289 PolarHBondContact O-N 3.41Å; L289-R291 VanDerWaalsContact C-N 3.33Å; L289-R291 PolarHBondContact O-N 2.77Å; L289-K292 PolarHBondContact O-N 3.45Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 2.96Å
290I56.6Low58.4Low105 Ų105138.9 Ų138.954%0.53865%0.654SS.*Hα-helixtrans-63.5-40.2-179.6-61172.1000110.7V293 F294I290-V293 PolarHBondContact O-N 3.19Å; I290-F294 WeakPolarHBondContact O-CB 3.38Å; I290-F294 PolarHBondContact O-N 3.27Å
291R56.2Low57.7Low184 Ų184141.1 Ų141.169%0.69466%0.663SS**Hα-helixtrans-65-38.8174.4-98.6176.6166.6162.2-5.9113.2L289 N295L289-R291 VanDerWaalsContact C-N 3.33Å; L289-R291 PolarHBondContact O-N 2.77Å; R291-N295 WeakPolarHBondContact O-CB 3.39Å; R291-N295 PolarHBondContact O-N 2.89Å
292K56.4Low57.5Low156 Ų156144.2 Ų144.268%0.67867%0.67SS**Hα-helixtrans-66.6-42176.6-79.3-173.2175.3-1750112T288 L289 L296T288-K292 PolarHBondContact O-N 2.99Å; L289-K292 PolarHBondContact O-N 3.45Å; K292-L296 WeakPolarHBondContact O-CB 3.4Å; K292-L296 WeakPolarHBondContact O-CG 3.43Å; K292-L296 PolarHBondContact O-N 3.39Å
293V59.6Low57.4Low94 Ų94144.7 Ų144.757%0.5767%0.672SS**Hα-helixtrans-67.7-40.4177.71760000111.2L289 I290 L296 Y297L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-V293 PolarHBondContact O-N 2.96Å; I290-V293 PolarHBondContact O-N 3.19Å; V293-L296 PolarHBondContact O-N 3.32Å; V293-Y297 PolarHBondContact O-N 3.39Å
294F60.6Low57.1Low135 Ų135142.4 Ų142.459%0.59267%0.665SS**Hα-helixtrans-67.6-39.9178.1-149.1-97.3000112.5I290 Y297 L298I290-F294 WeakPolarHBondContact O-CB 3.38Å; I290-F294 PolarHBondContact O-N 3.27Å; F294-Y297 PolarHBondContact O-N 2.95Å; F294-L298 HydrophobicContact CD1-CD1 3.69Å; F294-L298 HydrophobicContact CE1-CD1 3.75Å; F294-L298 PolarHBondContact O-N 2.73Å
295N57Low57Low107 Ų107138.5 Ų138.557%0.57266%0.657SS**Hα-helixtrans-68.4-35.4174.7-79-11.6000112.8R291 Y297 S299R291-N295 WeakPolarHBondContact O-CB 3.39Å; R291-N295 PolarHBondContact O-N 2.89Å; N295-Y297 VanDerWaalsContact C-N 3.3Å; N295-Y297 PolarHBondContact O-N 3.33Å; N295-S299 WeakPolarHBondContact O-CB 3.49Å; N295-S299 PolarHBondContact O-N 3.46Å
296L58.9Low56.6Low118 Ų118139.4 Ų139.462%0.61866%0.658SS**Hα-helixtrans-67.9-30.6173.9-80.4165.6000112.6K292 V293K292-L296 WeakPolarHBondContact O-CB 3.4Å; K292-L296 WeakPolarHBondContact O-CG 3.43Å; K292-L296 PolarHBondContact O-N 3.39Å; V293-L296 PolarHBondContact O-N 3.32Å
297Y59.3Low56.3Low167 Ų167137.8 Ų137.866%0.65565%0.654SS**Hα-helixtrans-75.1-41.5176.7-161.8-95.8000111.8V293 F294 N295 S299 K300V293-Y297 PolarHBondContact O-N 3.39Å; F294-Y297 PolarHBondContact O-N 2.95Å; N295-Y297 VanDerWaalsContact C-N 3.3Å; N295-Y297 PolarHBondContact O-N 3.33Å; Y297-S299 VanDerWaalsContact C-N 3.32Å; Y297-S299 PolarHBondContact O-N 2.94Å; Y297-K300 PolarHBondContact O-N 3.47Å
298L57.9Low56.1Low94 Ų94132.4 Ų132.449%0.49264%0.644SS.*Hα-helixtrans-70-24.9175.1-80.7163.9000113.7F294 K300F294-L298 HydrophobicContact CD1-CD1 3.69Å; F294-L298 HydrophobicContact CE1-CD1 3.75Å; F294-L298 PolarHBondContact O-N 2.73Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.07Å
299S53.3Low56.3Low96 Ų96135.1 Ų135.167%0.67165%0.647SS**THydrogen-bonded Turntrans-79.5-6.2175.1-178.30000113.6N295 Y297N295-S299 WeakPolarHBondContact O-CB 3.49Å; N295-S299 PolarHBondContact O-N 3.46Å; Y297-S299 VanDerWaalsContact C-N 3.32Å; Y297-S299 PolarHBondContact O-N 2.94Å
300K54Low56.4Low194 Ų194138.2 Ų138.284%0.84366%0.658SS**THydrogen-bonded Turntrans-109.52179.7-82.8-169.4174.3-171.70113.7Y297 L298Y297-K300 PolarHBondContact O-N 3.47Å; L298-K300 VanDerWaalsContact C-N 3.27Å; L298-K300 PolarHBondContact O-N 3.07Å
301Q46.5Very low56.3Low208 Ų208141.2 Ų141.297%0.97267%0.669SS**  trans-97.70162.9-87-173.5-24.400109.3

Retrieved 301 of 301 residues in 46.1 ms (Link to these results)