A0A093HM70_STRCA Loading...

Serine/threonine-protein kinase mos

AlphaFold DB , UniProt , Accession A0A093HM70, Species STRCA (Struthio camelus australis), Gene n/a, Length 349 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31Very low36.2Very low242 Ų242150.1 Ų150.1100%1.19282%0.816SS**  01020-81.6-85.8171.600107.6
2P49.3Very low36.3Very low121 Ų121146.8 Ų146.879%0.78681%0.808SS**  trans-97.8159.9-17637.3-30.2000111.8
3S32.3Very low35.8Very low117 Ų117146.3 Ų146.382%0.81880%0.802SS**  trans175155.4153.1-77.20000110.7
4P44.1Very low35.2Very low121 Ų121147 Ų14779%0.78680%0.797SS**  cis-135.3160.1-35.935.2-17.4000113.7
5I38.1Very low34.7Very low145 Ų145151.1 Ų151.174%0.74481%0.805SS**PPolyproline II helixtrans-77.7147.2163.8-63.1158.3000108.9
6P35.9Very low34.5Very low127 Ų127148.7 Ų148.783%0.82580%0.804SS**PPolyproline II helixtrans-92.1122.5151.9-0.920.3000110.7
7L31.9Very low34.3Very low147 Ų147147.2 Ų147.277%0.7780%0.804SS**PPolyproline II helixtrans-95161.5169.1-99.5159.5000110.4
8N33.1Very low34Very low111 Ų111145.5 Ų145.559%0.59480%0.804SS**  trans90.5128.2167.9-60.5-14.4000115.2
9H34.3Very low33.9Very low186 Ų186143.8 Ų143.886%0.86180%0.798SS**  cis-136.5150.145.1-101.8-106.8000115.8
10F31.8Very low33.5Very low174 Ų174144.8 Ų144.876%0.76380%0.802SS**  trans-68.9156.9179.2-82.8-103.3000114.6
11L36.5Very low33.2Very low160 Ų160144.8 Ų144.884%0.83880%0.8SS**  trans-60.5175.4176-55.4156000113.3
12P37.8Very low33.1Very low111 Ų111144.7 Ų144.772%0.72179%0.786SS**  -149.61528228.6-5.2000118.4
13L28.9Very low32.4Very low140 Ų140143.8 Ų143.873%0.73378%0.78SS**  trans63.8126.4136.4-82.192000123.6
14E27.7Very low32.2Very low156 Ų156144.7 Ų144.773%0.72979%0.785SS**  trans56.5123.1131.8-61.8-165.8168.800120.7
15F27.1Very low31.5Very low208 Ų208144 Ų14491%0.91278%0.783SS**  -163.1128.2110.7-96.8-72.9000110.1
16S32.1Very low31Very low113 Ų113142.4 Ų142.479%0.7979%0.785SS**PPolyproline II helixtrans-65.5162.4172.5-67.80000112.9
17P31.9Very low31.2Very low124 Ų124141.4 Ų141.481%0.80578%0.779SS**PPolyproline II helixtrans-80.2134.9-177.732.3-32.1000111.8
18S28.1Very low30.9Very low116 Ų116141.3 Ų141.381%0.81178%0.778SS**PPolyproline II helixtrans-78128.7169.9530000110.9
19V31.3Very low30.7Very low114 Ų114142.8 Ų142.869%0.69179%0.791SS**PPolyproline II helixtrans-62.3131.7165.1176.60000109.2L21V19-L21 HydrophobicContact CG1-CD1 4.28Å; V19-L21 HydrophobicContact CG1-CG 4.38Å
20D27.4Very low30.7Very low163 Ų163140.5 Ų140.587%0.87278%0.783SS**  trans-136106.5151-99.8-30.6000110.8
21L27.7Very low30.8Very low144 Ų144138.2 Ų138.275%0.75479%0.786SS**  trans-71.4131.8157.7-73.5148.1000107.7V19V19-L21 HydrophobicContact CG1-CD1 4.28Å; V19-L21 HydrophobicContact CG1-CG 4.38Å
22R28.6Very low30.4Very low240 Ų240134 Ų13491%0.90678%0.781SS**  174.7161111.9-95.1-160.9-168.5-174.26.3113.9
23P34.9Very low30.1Very low102 Ų102140.3 Ų140.366%0.66279%0.79SS**  trans-101.6159.4-157.239.7-32.5000112.6
24C27.5Very low30.2Very low137 Ų137141.6 Ų141.693%0.92680%0.798SS**  trans-126.8121.2162.4-75.70000110.7
25S29.4Very low30.2Very low105 Ų105137.4 Ų137.473%0.73480%0.797SS**  trans-62138.4179.1-45.10000113.7
26S28.2Very low30.4Very low112 Ų112137 Ų13778%0.78380%0.795SS**  86.2162.9108.2-77.30000115.6
27P38.3Very low30.2Very low107 Ų107139.1 Ų139.170%0.69580%0.797SS**  cis-140.5172.96.820.86.5000118.1
28L26.9Very low30Very low144 Ų144142.9 Ų142.975%0.75480%0.802SS**  trans72.4107.6143.6-71.6157.2000121.4
29V27.9Very low30Very low143 Ų143145.5 Ų145.587%0.86781%0.806SS**  -152.5127.2124.8175.70000109.1
30I34.6Very low29.9Very low137 Ų137144.2 Ų144.270%0.70382%0.815SS**  trans-78.8151.8173.5-60.9163.7000109.4
31P34.9Very low29.7Very low126 Ų126139.9 Ų139.982%0.81881%0.809SS**  trans-132141.6130.819.8-0.7000113.7
32G26.9Very low29.8Very low71 Ų71139.5 Ų139.573%0.73281%0.813SS**  trans-69.1160.7177.900000113.7
33R31.7Very low29.8Very low244 Ų244134.2 Ų134.292%0.92181%0.809SS**  trans-76123176.1-155.4179.9-164.2174.12.3108.1
34D30.8Very low29.6Very low167 Ų167133.6 Ų133.689%0.89381%0.807SS**  trans-144.4114.8155.3-98.4-30000109.3
35G27.6Very low29.7Very low69 Ų69133 Ų13371%0.71180%0.804SS**  trans-80.9138.8167.200000109.7
36K32.3Very low29.8Very low199 Ų199138.1 Ų138.187%0.86581%0.807SS**  trans-155.5123.5151.5-108165.5-171176.70109.6
37N27.7Very low30.2Very low158 Ų158140.1 Ų140.185%0.84581%0.807SS**  trans-57.9137.2171.5-60.4-29.9000110.7
38F27.2Very low30.5Very low203 Ų203144.4 Ų144.489%0.8981%0.81SS**  trans-139.6122.4152-96-81.8000110.6
39L28.5Very low31.7Very low171 Ų171148.8 Ų148.890%0.89582%0.816SS**  trans-69.4149.9170.2-78.5141.9000111.1
40G28.1Very low32.8Very low86 Ų86143.1 Ų143.189%0.88778%0.781SS**  trans83.1101.3143.300000117.1
41G25Very low33.5Very low72 Ų72139.9 Ų139.974%0.74277%0.768SS**  trans179102.4162.800000111.5
42T28.5Very low34.2Very low136 Ų136140.2 Ų140.283%0.83477%0.771SS**  trans-52.3125.7166.6450000109.7S44T42-S44 PolarHBondContact O-N 3.13Å
43P29.5Very low35.2Very low129 Ų129148 Ų14884%0.83878%0.778SS**  trans-74.5101.717827.9-29.1000108.9C45P43-C45 PolarHBondContact O-N 2.9Å
44S29.9Very low36.1Very low89 Ų89138.9 Ų138.962%0.62275%0.747SS**  trans-44.3125.3155.1166.20000108.8T42 R46T42-S44 PolarHBondContact O-N 3.13Å; S44-R46 PolarHBondContact O-N 3.44Å
45C30.1Very low36.9Very low126 Ų126134.4 Ų134.485%0.85173%0.733SS**  trans-66.377.7178-169.20000109.9P43P43-C45 PolarHBondContact O-N 2.9Å
46R31.8Very low38.1Very low211 Ų211136 Ų13680%0.79672%0.718SS**  trans-82.6112.3166.7-67.2-173.1-177.5-1751.2106.9S44 R48S44-R46 PolarHBondContact O-N 3.44Å; R46-R48 PolarHBondContact O-N 2.87Å
47I36.8Very low39.4Very low154 Ų154130.4 Ų130.479%0.7970%0.703SS**  trans-52.8102.1172.3-61.6170.9000107.9R49I47-R49 PolarHBondContact O-N 3.12Å
48R44.8Very low41.5Very low198 Ų198126.6 Ų126.675%0.74769%0.689SS**PPolyproline II helixtrans-70.3120.4174.6-74.1-170.9174.6-155.8-0.2107.7R46R46-R48 PolarHBondContact O-N 2.87Å
49R50.4Low44.2Very low236 Ų236117.1 Ų117.189%0.89165%0.647SS**PPolyproline II helixtrans-72.8132.8176.3-68.9-173.3179.3-163.30.1109.2I47I47-R49 PolarHBondContact O-N 3.12Å
50L52.2Low47Very low24 Ų24112.1 Ų112.113%0.12662%0.621CS.*PPolyproline II helixtrans-56.4140173.4-73.5159.8000110.4Y83 A86 V88 V125L50-Y83 HydrophobicContact CD2-CD1 4.08Å; L50-A86 HydrophobicContact CD2-CB 3.86Å; L50-A86 HydrophobicContact CG-CB 3.86Å; L50-V88 HydrophobicContact CD1-CG1 4.18Å; L50-V125 HydrophobicContact CD1-CB 4.35Å; L50-V125 HydrophobicContact CD1-CG1 3.8Å; L50-V125 HydrophobicContact CD1-CG2 3.56Å; L50-V125 HydrophobicContact CD2-CG1 4.24Å
51P48.2Very low49.8Very low68 Ų68111.6 Ų111.644%0.44259%0.593SS.*PPolyproline II helixtrans-54.9141.7178.1-22.229.7000112R53 L54P51-R53 PolarHBondContact O-N 3.37Å; P51-L54 HydrophobicContact CB-CD1 4.37Å; P51-L54 HydrophobicContact CB-CG 4.44Å; P51-L54 HydrophobicContact CG-CD1 4.15Å; P51-L54 HydrophobicContact CG-CG 4.45Å
52P50.7Low52.8Low133 Ų133115.1 Ų115.186%0.86460%0.595SS**THydrogen-bonded Turntrans-67-16.8-176.5-2.68000114.7
53R47.6Very low55.8Low236 Ų236112.7 Ų112.789%0.89157%0.574SS**THydrogen-bonded Turntrans-144.467.9-173.4-61.7-173.2-176.2-1551.5111.5P51P51-R53 PolarHBondContact O-N 3.37Å
54L49.8Very low58.7Low51 Ų51107.6 Ų107.627%0.26754%0.539SS..  trans-71.7141.8159.2-82.5141.6000108.4P51 W56 Y83 H84P51-L54 HydrophobicContact CB-CD1 4.37Å; P51-L54 HydrophobicContact CB-CG 4.44Å; P51-L54 HydrophobicContact CG-CD1 4.15Å; P51-L54 HydrophobicContact CG-CG 4.45Å; L54-W56 VanDerWaalsContact C-N 3.35Å; L54-W56 PolarHBondContact O-N 2.78Å; L54-Y83 HydrophobicContact CD1-CE1 3.99Å; L54-Y83 HydrophobicContact CD2-CE1 4.4Å; L54-H84 WeakPolarHBondContact CD2-NE2 3.37Å
55A47.4Very low61.7Low73 Ų73106.6 Ų106.660%0.60353%0.531SS*.  trans-58.799.717600000108.9C57 S58A55-C57 PolarHBondContact O-N 2.84Å; A55-S58 PolarHBondContact O-N 3.22Å
56W52.8Low64.7Low102 Ų102103.9 Ų103.939%0.38651%0.508SS..THydrogen-bonded Turntrans-50.3126.1173.5170.8-78.4000109.1L54 A114 R115L54-W56 VanDerWaalsContact C-N 3.35Å; L54-W56 PolarHBondContact O-N 2.78Å; W56-A114 HydrophobicContact CH2-CB 2.82Å; W56-A114 WeakPolarHBondContact CH2-O 3.29Å; W56-A114 HydrophobicContact CZ2-CB 3.76Å; W56-A114 HydrophobicContact CZ3-CB 3.25Å; W56-R115 HydrophobicContact CD2-CG 3.92Å; W56-R115 HydrophobicContact CE3-CG 3.45Å; W56-R115 VanDerWaalsContact CE3-CG 3.45Å; W56-R115 HydrophobicContact CH2-CB 4.26Å; W56-R115 HydrophobicContact CH2-CG 3.39Å; W56-R115 VanDerWaalsContact CH2-N 3.34Å; W56-R115 HydrophobicContact CZ2-CG 4.04Å; W56-R115 HydrophobicContact CZ3-CB 4.08Å; W56-R115 HydrophobicContact CZ3-CG 3.21Å
57C59.7Low67.5Low82 Ų8298.5 Ų98.555%0.55450%0.495SS*.THydrogen-bonded Turntrans92.6-3.2-172.7-58.20000118.2A55 A127A55-C57 PolarHBondContact O-N 2.84Å; C57-A127 CarbonylContact C-O 3.52Å; C57-A127 VanDerWaalsContact CA-O 3.26Å; C57-A127 WeakPolarHBondContact CA-O 3.43Å
58S72.3Confident70.2Confident78 Ų7896 Ų9655%0.54548%0.48SS..  trans-120.7117.3170.9-164.90000110.8A55A55-S58 PolarHBondContact O-N 3.22Å
59I84.4Confident72.5Confident5 Ų591.2 Ų91.23%0.02647%0.474CS..  trans-91.3123.3171.4-65.9176.4000106.8W61 L64 Y83 A126 T140 I142I59-W61 HydrophobicContact CB-CD2 4.5Å; I59-W61 HydrophobicContact CB-CZ2 4.12Å; I59-W61 HydrophobicContact CD1-CH2 4.19Å; I59-W61 HydrophobicContact CD1-CZ2 4.26Å; I59-W61 HydrophobicContact CG2-CD2 4Å; I59-W61 HydrophobicContact CG2-CE3 4.12Å; I59-W61 HydrophobicContact CG2-CG 4.48Å; I59-W61 HydrophobicContact CG2-CH2 4.42Å; I59-W61 HydrophobicContact CG2-CZ2 4.27Å; I59-W61 HydrophobicContact CG2-CZ3 4.35Å; I59-W61 VanDerWaalsContact O-CD1 3.28Å; I59-W61 PolarHBondContact O-N 2.95Å; I59-W61 VanDerWaalsContact O-N 3.13Å; I59-W61 PolarHBondContact O-NE1 2.92Å; I59-L64 HydrophobicContact CG2-CD2 4.27Å; I59-Y83 HydrophobicContact CG2-CE2 4.19Å; I59-A126 HydrophobicContact CG1-CB 4.09Å; I59-T140 HydrophobicContact CD1-CG2 3.89Å; I59-I142 HydrophobicContact CB-CD1 4.45Å; I59-I142 HydrophobicContact CD1-CD1 3.95Å; I59-I142 HydrophobicContact CD1-CG1 3.94Å; I59-I142 HydrophobicContact CG1-CD1 3.97Å; I59-I142 HydrophobicContact CG1-CG1 4.4Å; I59-I142 HydrophobicContact CG2-CD1 3.73Å
60D87.2Confident74.3Confident65 Ų6583.2 Ų83.235%0.34845%0.449SS..  trans-75.795.1168.5-173.7-13.5000109D62 Q63 L64 Y83 H84D60-D62 PolarHBondContact O-N 3.11Å; D60-D62 PolarHBondContact OD1-N 3.26Å; D60-Q63 HydrophobicContact CB-CB 4.16Å; D60-Q63 HydrophobicContact CB-CG 4.19Å; D60-Q63 VanDerWaalsContact CG-CG 3.4Å; D60-Q63 PolarHBondContact O-N 3.49Å; D60-Q63 VanDerWaalsContact O-N 3.11Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.48Å; D60-L64 PolarHBondContact O-N 2.74Å; D60-Y83 HydrophobicContact CB-CE2 4.26Å; D60-Y83 PolarHBondContact N-OH 3.1Å; D60-Y83 VanDerWaalsContact N-OH 3.15Å; D60-Y83 WeakPolarHBondContact O-CE2 3.28Å; D60-H84 IonicContact OD2-CE1 3.27Å
61W86.8Confident75.8Confident76 Ų7683.8 Ų83.829%0.28846%0.46SS..G310 helixtrans-63.5-29.6-173.9-63.9101.4000113.1I59 Q63 L64 C130 T131 P132 T140I59-W61 HydrophobicContact CB-CD2 4.5Å; I59-W61 HydrophobicContact CB-CZ2 4.12Å; I59-W61 HydrophobicContact CD1-CH2 4.19Å; I59-W61 HydrophobicContact CD1-CZ2 4.26Å; I59-W61 HydrophobicContact CG2-CD2 4Å; I59-W61 HydrophobicContact CG2-CE3 4.12Å; I59-W61 HydrophobicContact CG2-CG 4.48Å; I59-W61 HydrophobicContact CG2-CH2 4.42Å; I59-W61 HydrophobicContact CG2-CZ2 4.27Å; I59-W61 HydrophobicContact CG2-CZ3 4.35Å; I59-W61 VanDerWaalsContact O-CD1 3.28Å; I59-W61 PolarHBondContact O-N 2.95Å; I59-W61 VanDerWaalsContact O-N 3.13Å; I59-W61 PolarHBondContact O-NE1 2.92Å; W61-Q63 PolarHBondContact O-N 2.89Å; W61-L64 HydrophobicContact CE3-CD2 3.92Å; W61-L64 HydrophobicContact CZ3-CD2 3.87Å; W61-L64 PolarHBondContact O-N 3.05Å; W61-C130 WeakPolarHBondContact CZ2-O 3.48Å; W61-T131 HydrophobicContact CH2-CG2 4.26Å; W61-P132 HydrophobicContact CD2-CG 4.19Å; W61-P132 HydrophobicContact CE3-CG 4.19Å; W61-T140 HydrophobicContact CH2-CG2 4.15Å; W61-T140 HydrophobicContact CZ3-CG2 4.39Å
62D87.9Confident77.5Confident146 Ų14684.5 Ų84.578%0.78147%0.467SS*.G310 helixtrans-70.2-23.7178.7-63.6-26.4000111.5D60D60-D62 PolarHBondContact O-N 3.11Å; D60-D62 PolarHBondContact OD1-N 3.26Å
63Q91.2Very high78.7Confident85 Ų8580.5 Ų80.540%0.39745%0.45SS..G310 helixtrans-93.90178.1-61.6-66.9-51.200112.9D60 W61 Y83 H84D60-Q63 HydrophobicContact CB-CB 4.16Å; D60-Q63 HydrophobicContact CB-CG 4.19Å; D60-Q63 VanDerWaalsContact CG-CG 3.4Å; D60-Q63 PolarHBondContact O-N 3.49Å; D60-Q63 VanDerWaalsContact O-N 3.11Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.48Å; W61-Q63 PolarHBondContact O-N 2.89Å; Q63-Y83 HydrophobicContact CB-CD2 4.45Å; Q63-Y83 HydrophobicContact CB-CE2 4.35Å; Q63-Y83 WeakPolarHBondContact O-CA 3.43Å; Q63-H84 WeakPolarHBondContact CG-ND1 3.46Å; Q63-H84 PolarHBondContact O-N 2.86Å; Q63-H84 VanDerWaalsContact O-N 3.17Å
64L91.8Very high79.7Confident22 Ų2272.8 Ų72.812%0.11544%0.444CS..EExtended strand (participates in β ladder)trans-102.7113.6179.4-176.464.5000111.1I59 D60 W61 A81 T82 Y83 V90 I142I59-L64 HydrophobicContact CG2-CD2 4.27Å; D60-L64 PolarHBondContact O-N 2.74Å; W61-L64 HydrophobicContact CE3-CD2 3.92Å; W61-L64 HydrophobicContact CZ3-CD2 3.87Å; W61-L64 PolarHBondContact O-N 3.05Å; L64-A81 HydrophobicContact CD1-CB 4.2Å; L64-T82 WeakPolarHBondContact CA-O 3.43Å; L64-Y83 HydrophobicContact CB-CD2 4.09Å; L64-Y83 HydrophobicContact CD1-CD2 4.08Å; L64-V90 HydrophobicContact CD1-CG2 3.86Å; L64-I142 HydrophobicContact CD1-CD1 4.06Å; L64-I142 HydrophobicContact CD2-CD1 4.41Å
65C92.3Very high80.7Confident67 Ų6773.3 Ų73.345%0.45344%0.444SS..EExtended strand (participates in β ladder)trans-115.3111.7173.6-49.50000110.1A81 T82C65-A81 CarbonylContact O-C 3.3Å; C65-A81 WeakPolarHBondContact O-CA 3.47Å; C65-A81 VanDerWaalsContact O-CB 3.23Å; C65-A81 WeakPolarHBondContact O-CB 3.4Å; C65-T82 WeakPolarHBondContact CB-OG1 3.4Å; C65-T82 PolarHBondContact N-O 2.99Å; C65-T82 PolarHBondContact O-N 3.35Å
66L92Very high82.4Confident69 Ų6970 Ų7036%0.36142%0.417SS..EExtended strand (participates in β ladder)trans-70.4136.9173.7-59.7177.9000109.9A81 V90L66-A81 HydrophobicContact CD2-CB 4.02Å; L66-V90 HydrophobicContact CD2-CB 4.07Å; L66-V90 HydrophobicContact CD2-CG1 4.03Å; L66-V90 HydrophobicContact CD2-CG2 4.18Å
67L91.9Very high84.1Confident98 Ų9865.6 Ų65.651%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-108.3-120175.8-55.7173.8000108.4K80 T82L67-K80 WeakPolarHBondContact CA-O 3.38Å; L67-K80 VanDerWaalsContact CB-O 3.28Å; L67-K80 WeakPolarHBondContact CB-O 3.39Å; L67-K80 HydrophobicContact CD1-CG 4.39Å; L67-K80 PolarHBondContact N-O 3.49Å; L67-T82 HydrophobicContact CD1-CG2 4.22Å
68Q92.6Very high85.7Confident103 Ų10363.6 Ų63.648%0.48139%0.387SS..EExtended strand (participates in β ladder)trans-88.2149.7-177.168.7-171.125.400113.2Y79 K80Q68-Y79 WeakPolarHBondContact O-CA 3.23Å; Q68-K80 HydrophobicContact CG-CB 3.99Å; Q68-K80 HydrophobicContact CG-CD 4.5Å; Q68-K80 PolarHBondContact O-N 3.23Å
69P92.6Very high86.7Confident97 Ų9762.6 Ų62.663%0.6337%0.372SS*.EExtended strand (participates in β ladder)trans-64.9137.9167.728.7-33.9000110.6Y79P69-Y79 HydrophobicContact CB-CD1 4.05Å; P69-Y79 HydrophobicContact CB-CE1 4.07Å
70L88.9Confident87.2Confident67 Ų6764.6 Ų64.635%0.35138%0.38SS..EExtended strand (participates in β ladder)trans-101.2-29.7173.7-66.9174.9000111.8V78 K80 Y145L70-V78 HydrophobicContact CB-CG1 4.35Å; L70-V78 HydrophobicContact CD1-CG1 4.28Å; L70-V78 PolarHBondContact N-O 3.14Å; L70-K80 HydrophobicContact CD1-CB 3.99Å; L70-K80 HydrophobicContact CD2-CB 4.06Å; L70-K80 HydrophobicContact CG-CB 3.99Å; L70-Y145 HydrophobicContact CD1-CD2 4.06Å; L70-Y145 HydrophobicContact CD1-CE2 3.83Å; L70-Y145 HydrophobicContact CD2-CE2 4.27Å
71G84.4Confident87.6Confident36 Ų3661.5 Ų61.537%0.37136%0.364SS..EExtended strand (participates in β ladder)trans177.6164.9177.600000112.9S77 V78G71-S77 WeakPolarHBondContact O-CA 3.28Å; G71-V78 PolarHBondContact N-O 3.23Å; G71-V78 PolarHBondContact O-N 3.4Å
72S83.6Confident88.1Confident83 Ų8359.7 Ų59.758%0.5836%0.361SS*.EExtended strand (participates in β ladder)trans-138.3138.1173.4-1780000109.4G76 S77 K94S72-G76 WeakPolarHBondContact CA-O 3.4Å; S72-S77 PolarHBondContact OG-OG 3.21Å; S72-K94 PolarHBondContact OG-NZ 2.9Å
73G74.8Confident88.4Confident49 Ų4952.8 Ų52.851%0.50532%0.324SS..EExtended strand (participates in β ladder)trans-146.1-169.5179.700000112.3F75 G76G73-F75 PolarHBondContact O-N 2.9Å; G73-G76 PolarHBondContact N-O 3.11Å; G73-G76 PolarHBondContact O-N 2.69Å
74G69.6Low88.4Confident74 Ų7451.4 Ų51.476%0.76332%0.318SS*.THydrogen-bonded Turntrans-61.2-24.8-176.900000114.5
75F70.1Confident88.3Confident62 Ų6253.3 Ų53.327%0.27234%0.342SS..THydrogen-bonded Turntrans-98.8-4.9-177.1-56-68.3000114G73 V93 S106G73-F75 PolarHBondContact O-N 2.9Å; F75-V93 WeakPolarHBondContact O-CA 3.34Å; F75-V93 WeakPolarHBondContact O-CG1 3.46Å; F75-S106 VanDerWaalsContact CD1-CB 3.42Å; F75-S106 WeakPolarHBondContact CD1-OG 3.34Å; F75-S106 WeakPolarHBondContact CG-OG 3.28Å
76G82.9Confident88.3Confident4 Ų450.7 Ų50.74%0.04133%0.325CS..EExtended strand (participates in β ladder)trans145.5-163.1-178.900000114.2S72 G73 Q92S72-G76 WeakPolarHBondContact CA-O 3.4Å; G73-G76 PolarHBondContact N-O 3.11Å; G73-G76 PolarHBondContact O-N 2.69Å; G76-Q92 WeakPolarHBondContact CA-O 3.28Å
77S89.8Confident88.4Confident10 Ų1050.9 Ų50.97%0.0733%0.329CS..EExtended strand (participates in β ladder)trans-122.8140.5178.1-60.70000109.7G71 S72 Q92 K94G71-S77 WeakPolarHBondContact O-CA 3.28Å; S72-S77 PolarHBondContact OG-OG 3.21Å; S77-Q92 PolarHBondContact N-O 3.48Å; S77-Q92 PolarHBondContact O-N 3.5Å; S77-K94 WeakPolarHBondContact OG-CE 3.39Å; S77-K94 PolarHBondContact OG-NZ 3.4Å
78V92.4Very high88.6Confident39 Ų3946.2 Ų46.224%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-113.2134-180-173.70000108.4L70 G71 A89 V90 K91L70-V78 HydrophobicContact CB-CG1 4.35Å; L70-V78 HydrophobicContact CD1-CG1 4.28Å; L70-V78 PolarHBondContact N-O 3.14Å; G71-V78 PolarHBondContact N-O 3.23Å; G71-V78 PolarHBondContact O-N 3.4Å; V78-A89 HydrophobicContact CG1-CB 4.47Å; V78-V90 CarbonylContact C-O 3.52Å; V78-V90 VanDerWaalsContact CA-O 3.29Å; V78-V90 WeakPolarHBondContact CA-O 3.47Å; V78-K91 HydrophobicContact CG2-CB 4.14Å; V78-K91 HydrophobicContact CG2-CD 4.27Å; V78-K91 HydrophobicContact CG2-CG 3.98Å
79Y93.4Very high88.8Confident57 Ų5741.9 Ų41.922%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-124.5146.9-179.5-57.8-92.5000110Q68 P69 A89 V90 Q92Q68-Y79 WeakPolarHBondContact O-CA 3.23Å; P69-Y79 HydrophobicContact CB-CD1 4.05Å; P69-Y79 HydrophobicContact CB-CE1 4.07Å; Y79-A89 CarbonylContact O-C 3.54Å; Y79-A89 WeakPolarHBondContact O-CA 3.18Å; Y79-V90 PolarHBondContact N-O 3.22Å; Y79-V90 PolarHBondContact O-N 3.21Å; Y79-Q92 HydrophobicContact CD2-CG 4.4Å; Y79-Q92 HydrophobicContact CE2-CB 4.42Å; Y79-Q92 HydrophobicContact CE2-CG 4.21Å
80K95.6Very high88.9Confident48 Ų4837.2 Ų37.221%0.20926%0.256CS..EExtended strand (participates in β ladder)trans-75.6139.9160.2-167.9172.8-179168.80107L67 Q68 L70 V87 Y145L67-K80 WeakPolarHBondContact CA-O 3.38Å; L67-K80 VanDerWaalsContact CB-O 3.28Å; L67-K80 WeakPolarHBondContact CB-O 3.39Å; L67-K80 HydrophobicContact CD1-CG 4.39Å; L67-K80 PolarHBondContact N-O 3.49Å; Q68-K80 HydrophobicContact CG-CB 3.99Å; Q68-K80 HydrophobicContact CG-CD 4.5Å; Q68-K80 PolarHBondContact O-N 3.23Å; L70-K80 HydrophobicContact CD1-CB 3.99Å; L70-K80 HydrophobicContact CD2-CB 4.06Å; L70-K80 HydrophobicContact CG-CB 3.99Å; K80-V87 HydrophobicContact CG-CG1 4.19Å; K80-Y145 HydrophobicContact CD-CE1 4.44Å; K80-Y145 HydrophobicContact CD-CE2 4.09Å; K80-Y145 HydrophobicContact CG-CD2 4.35Å; K80-Y145 HydrophobicContact CG-CE2 4.17Å; K80-Y145 PolarHBondContact NZ-OH 3.22Å
81A95.5Very high89.1Confident0 Ų034.6 Ų34.60%024%0.242CC..EExtended strand (participates in β ladder)trans-150.9172.7-178.400000110.7L64 C65 L66 V87 V88 V90L64-A81 HydrophobicContact CD1-CB 4.2Å; C65-A81 CarbonylContact O-C 3.3Å; C65-A81 WeakPolarHBondContact O-CA 3.47Å; C65-A81 VanDerWaalsContact O-CB 3.23Å; C65-A81 WeakPolarHBondContact O-CB 3.4Å; L66-A81 HydrophobicContact CD2-CB 4.02Å; A81-V87 WeakPolarHBondContact O-CA 3.5Å; A81-V88 HydrophobicContact CB-CG2 3.96Å; A81-V88 PolarHBondContact N-O 3.45Å; A81-V88 PolarHBondContact O-N 3.23Å; A81-V90 HydrophobicContact CB-CB 4.41Å; A81-V90 HydrophobicContact CB-CG2 3.47Å; A81-V90 VanDerWaalsContact CB-CG2 3.47Å
82T96.1Very high89.4Confident38 Ų3834.1 Ų34.123%0.23323%0.23CC..EExtended strand (participates in β ladder)trans-114136164.154.80000110.2L64 C65 L67 A86L64-T82 WeakPolarHBondContact CA-O 3.43Å; C65-T82 WeakPolarHBondContact CB-OG1 3.4Å; C65-T82 PolarHBondContact N-O 2.99Å; C65-T82 PolarHBondContact O-N 3.35Å; L67-T82 HydrophobicContact CD1-CG2 4.22Å; T82-A86 CarbonylContact C-O 3.47Å; T82-A86 VanDerWaalsContact CA-O 3.24Å; T82-A86 WeakPolarHBondContact CA-O 3.47Å
83Y94.2Very high89.5Confident1 Ų130.2 Ų30.20%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-129.9120.6174.5-174.4-117.2000109.8L50 L54 I59 D60 Q63 L64 G85 A86 V125 I142L50-Y83 HydrophobicContact CD2-CD1 4.08Å; L54-Y83 HydrophobicContact CD1-CE1 3.99Å; L54-Y83 HydrophobicContact CD2-CE1 4.4Å; I59-Y83 HydrophobicContact CG2-CE2 4.19Å; D60-Y83 HydrophobicContact CB-CE2 4.26Å; D60-Y83 PolarHBondContact N-OH 3.1Å; D60-Y83 VanDerWaalsContact N-OH 3.15Å; D60-Y83 WeakPolarHBondContact O-CE2 3.28Å; Q63-Y83 HydrophobicContact CB-CD2 4.45Å; Q63-Y83 HydrophobicContact CB-CE2 4.35Å; Q63-Y83 WeakPolarHBondContact O-CA 3.43Å; L64-Y83 HydrophobicContact CB-CD2 4.09Å; L64-Y83 HydrophobicContact CD1-CD2 4.08Å; Y83-G85 PolarHBondContact O-N 3.31Å; Y83-A86 PolarHBondContact N-O 3.03Å; Y83-A86 PolarHBondContact O-N 3.03Å; Y83-V125 HydrophobicContact CD1-CG1 4.33Å; Y83-V125 HydrophobicContact CE1-CG1 4.48Å; Y83-I142 HydrophobicContact CD1-CD1 4.26Å; Y83-I142 HydrophobicContact CD1-CG2 4.48Å; Y83-I142 HydrophobicContact CD2-CD1 3.84Å; Y83-I142 HydrophobicContact CE1-CD1 4.36Å; Y83-I142 HydrophobicContact CE2-CD1 3.96Å; Y83-I142 HydrophobicContact CG-CD1 4Å
84H91.9Very high89.7Confident56 Ų5632.8 Ų32.826%0.25920%0.2SC..THydrogen-bonded Turntrans48.238.4-168.4-62.7-71.4000113.2L54 D60 Q63 A86L54-H84 WeakPolarHBondContact CD2-NE2 3.37Å; D60-H84 IonicContact OD2-CE1 3.27Å; Q63-H84 WeakPolarHBondContact CG-ND1 3.46Å; Q63-H84 PolarHBondContact O-N 2.86Å; Q63-H84 VanDerWaalsContact O-N 3.17Å; H84-A86 VanDerWaalsContact C-N 3.26Å; H84-A86 PolarHBondContact O-N 3.43Å
85G89.2Confident89.8Confident61 Ų6134.3 Ų34.363%0.62919%0.186SC*.THydrogen-bonded Turntrans75.30.4-178.300000115.9Y83Y83-G85 PolarHBondContact O-N 3.31Å
86A92.9Very high89.7Confident12 Ų1233.3 Ų33.310%0.09919%0.186CC..EExtended strand (participates in β ladder)trans-95.6141.2173.500000111L50 T82 Y83 H84 V88L50-A86 HydrophobicContact CD2-CB 3.86Å; L50-A86 HydrophobicContact CG-CB 3.86Å; T82-A86 CarbonylContact C-O 3.47Å; T82-A86 VanDerWaalsContact CA-O 3.24Å; T82-A86 WeakPolarHBondContact CA-O 3.47Å; Y83-A86 PolarHBondContact N-O 3.03Å; Y83-A86 PolarHBondContact O-N 3.03Å; H84-A86 VanDerWaalsContact C-N 3.26Å; H84-A86 PolarHBondContact O-N 3.43Å; A86-V88 PolarHBondContact O-N 3.33Å
87V95.1Very high88.7Confident74 Ų7438.8 Ų38.845%0.44822%0.224SC..EExtended strand (participates in β ladder)trans-71.2129.1176.7-175.90000110K80 A81 Y145K80-V87 HydrophobicContact CG-CG1 4.19Å; A81-V87 WeakPolarHBondContact O-CA 3.5Å; V87-Y145 HydrophobicContact CG1-CD1 3.68Å; V87-Y145 HydrophobicContact CG1-CE1 4.3Å; V87-Y145 HydrophobicContact CG1-CG 3.95Å
88V96.2Very high87.7Confident0 Ų048 Ų480%026%0.263CS..EExtended strand (participates in β ladder)trans-137.9162-176.4-64.50000111.4L50 A81 A86 V90 I142 M143L50-V88 HydrophobicContact CD1-CG1 4.18Å; A81-V88 HydrophobicContact CB-CG2 3.96Å; A81-V88 PolarHBondContact N-O 3.45Å; A81-V88 PolarHBondContact O-N 3.23Å; A86-V88 PolarHBondContact O-N 3.33Å; V88-V90 HydrophobicContact CG2-CG2 4.09Å; V88-I142 HydrophobicContact CB-CG2 3.81Å; V88-I142 HydrophobicContact CG1-CG2 4Å; V88-I142 HydrophobicContact CG2-CG2 3.82Å; V88-M143 WeakPolarHBondContact CA-O 3.43Å; V88-M143 WeakPolarHBondContact CB-O 3.2Å
89A96.1Very high86.8Confident11 Ų1150.1 Ų50.19%0.09127%0.273CS..EExtended strand (participates in β ladder)trans-103.3132.9168.500000109V78 Y79 M143 Y145V78-A89 HydrophobicContact CG1-CB 4.47Å; Y79-A89 CarbonylContact O-C 3.54Å; Y79-A89 WeakPolarHBondContact O-CA 3.18Å; A89-M143 HydrophobicContact CB-CE 4.45Å; A89-M143 PolarHBondContact N-O 2.93Å; A89-M143 PolarHBondContact O-N 2.9Å; A89-Y145 HydrophobicContact CB-CD2 4.42Å
90V94.2Very high86Confident0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-119.7113.6-176.5-179.30000108.9L64 L66 V78 Y79 A81 V88 Q92 T140 I141 I142L64-V90 HydrophobicContact CD1-CG2 3.86Å; L66-V90 HydrophobicContact CD2-CB 4.07Å; L66-V90 HydrophobicContact CD2-CG1 4.03Å; L66-V90 HydrophobicContact CD2-CG2 4.18Å; V78-V90 CarbonylContact C-O 3.52Å; V78-V90 VanDerWaalsContact CA-O 3.29Å; V78-V90 WeakPolarHBondContact CA-O 3.47Å; Y79-V90 PolarHBondContact N-O 3.22Å; Y79-V90 PolarHBondContact O-N 3.21Å; A81-V90 HydrophobicContact CB-CB 4.41Å; A81-V90 HydrophobicContact CB-CG2 3.47Å; A81-V90 VanDerWaalsContact CB-CG2 3.47Å; V88-V90 HydrophobicContact CG2-CG2 4.09Å; V90-Q92 HydrophobicContact CG1-CG 4.38Å; V90-T140 HydrophobicContact CG1-CG2 3.45Å; V90-T140 VanDerWaalsContact CG1-CG2 3.45Å; V90-I141 CarbonylContact C-O 3.21Å; V90-I141 WeakPolarHBondContact CA-O 3.49Å; V90-I142 HydrophobicContact CG2-CG1 4.43Å
91K92.7Very high85.2Confident12 Ų1258 Ų585%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-96.5113.5174.2-174.6168.1-174.4176.80109.2V78 E110 T140 I141 M143 D223V78-K91 HydrophobicContact CG2-CB 4.14Å; V78-K91 HydrophobicContact CG2-CD 4.27Å; V78-K91 HydrophobicContact CG2-CG 3.98Å; K91-E110 IonicContact NZ-OE1 2.62Å; K91-E110 PolarHBondContact NZ-OE1 2.92Å; K91-T140 WeakPolarHBondContact O-CA 3.03Å; K91-I141 HydrophobicContact CB-CB 4.47Å; K91-I141 PolarHBondContact N-O 3.22Å; K91-I141 PolarHBondContact O-N 3.46Å; K91-M143 HydrophobicContact CB-CE 3.66Å; K91-D223 IonicContact NZ-OD1 3.42Å; K91-D223 PolarHBondContact NZ-OD1 3.38Å
92Q90.7Very high84.4Confident26 Ų2659.2 Ų59.212%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-94.9113.1171.4-67.4178.9-4.400108.8G76 S77 Y79 V90 K94G76-Q92 WeakPolarHBondContact CA-O 3.28Å; S77-Q92 PolarHBondContact N-O 3.48Å; S77-Q92 PolarHBondContact O-N 3.5Å; Y79-Q92 HydrophobicContact CD2-CG 4.4Å; Y79-Q92 HydrophobicContact CE2-CB 4.42Å; Y79-Q92 HydrophobicContact CE2-CG 4.21Å; V90-Q92 HydrophobicContact CG1-CG 4.38Å; Q92-K94 PolarHBondContact O-N 3Å
93V85.6Confident83.6Confident1 Ų157.8 Ų57.81%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-79.3122.6178.4178.10000108.6F75 F107 S137 L138 G139F75-V93 WeakPolarHBondContact O-CA 3.34Å; F75-V93 WeakPolarHBondContact O-CG1 3.46Å; V93-F107 HydrophobicContact CB-CD2 4.24Å; V93-F107 HydrophobicContact CG1-CB 4.32Å; V93-F107 HydrophobicContact CG2-CB 4.26Å; V93-F107 HydrophobicContact CG2-CD2 3.81Å; V93-S137 CarbonylContact O-C 3.53Å; V93-S137 WeakPolarHBondContact O-CA 3.3Å; V93-S137 PolarHBondContact O-OG 3.49Å; V93-L138 HydrophobicContact CB-CB 4.39Å; V93-L138 HydrophobicContact CG1-CB 4.12Å; V93-L138 HydrophobicContact CG1-CD2 4.06Å; V93-L138 PolarHBondContact O-N 2.79Å; V93-G139 PolarHBondContact N-O 3.42Å
94K79.3Confident83.1Confident103 Ų10363.1 Ų63.145%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-73.2141.5179.9-74.6174.2-179.41710110.2S72 S77 Q92 S96S72-K94 PolarHBondContact OG-NZ 2.9Å; S77-K94 WeakPolarHBondContact OG-CE 3.39Å; S77-K94 PolarHBondContact OG-NZ 3.4Å; Q92-K94 PolarHBondContact O-N 3Å; K94-S96 VanDerWaalsContact C-N 3.33Å; K94-S96 PolarHBondContact O-N 2.98Å
95K72.1Confident82.8Confident105 Ų10565.2 Ų65.246%0.45734%0.342SS..  trans-77.185.5170.5-161.9175.9-177.8179.80108.6S97 N136K95-S97 PolarHBondContact O-N 3.06Å; K95-N136 PolarHBondContact N-O 3.11Å
96S69Low82.7Confident41 Ų4162.4 Ų62.429%0.28731%0.313SS..  trans-65.1123.7178.7-177.10000110.7K94 N99 R100 S103K94-S96 VanDerWaalsContact C-N 3.33Å; K94-S96 PolarHBondContact O-N 2.98Å; S96-N99 PolarHBondContact OG-N 2.79Å; S96-R100 PolarHBondContact O-N 3.41Å; S96-S103 WeakPolarHBondContact CB-OG 3.48Å
97S61.6Low82.5Confident120 Ų12062 Ų6284%0.83931%0.308SS*.SBendtrans-73.4-33.317454.60000112.2K95K95-S97 PolarHBondContact O-N 3.06Å
98K69Low82.3Confident203 Ų20365.4 Ų65.488%0.88331%0.313SS*.SBendtrans-77.8-34.3-177.6-66.5-174.4178.7-177.90113.3
99N72.3Confident82Confident84 Ų8465.9 Ų65.945%0.44932%0.317SS..  trans-144.572.8-179.2-161.8-14.4000112.2S96 L101 A102 S103S96-N99 PolarHBondContact OG-N 2.79Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.89Å; N99-A102 HydrophobicContact CB-CB 4.24Å; N99-A102 VanDerWaalsContact CG-CB 3.42Å; N99-A102 WeakPolarHBondContact ND2-CB 3.47Å; N99-A102 PolarHBondContact O-N 3.08Å; N99-A102 WeakPolarHBondContact OD1-CB 3.43Å; N99-A102 PolarHBondContact OD1-N 3.26Å; N99-S103 PolarHBondContact O-N 3.2Å; N99-S103 PolarHBondContact O-OG 3.47Å
100R75.9Confident81.8Confident147 Ų14765.4 Ų65.456%0.55531%0.313SS*.Hα-helixtrans-62.7-34.4-178.1-172.3178.6-179.7-170.6-1113S96 R104S96-R100 PolarHBondContact O-N 3.41Å; R100-R104 WeakPolarHBondContact O-CG 3.44Å; R100-R104 PolarHBondContact O-N 2.9Å; R100-R104 VanDerWaalsContact O-N 3.12Å
101L78.8Confident81.7Confident122 Ų12266.8 Ų66.864%0.63932%0.32SS*.Hα-helixtrans-66.8-47.4179.5-70174.1000110.9N99 S103 R104 Q105N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.89Å; L101-S103 PolarHBondContact O-N 2.78Å; L101-R104 PolarHBondContact O-N 2.9Å; L101-Q105 WeakPolarHBondContact O-CB 3.4Å; L101-Q105 WeakPolarHBondContact O-CG 3.45Å; L101-Q105 PolarHBondContact O-N 3.27Å
102A78.8Confident81.7Confident27 Ų2768.4 Ų68.422%0.22333%0.33CS..Hα-helixtrans-62-41.817800000112.6N99 R104 Q105 S106N99-A102 HydrophobicContact CB-CB 4.24Å; N99-A102 VanDerWaalsContact CG-CB 3.42Å; N99-A102 WeakPolarHBondContact ND2-CB 3.47Å; N99-A102 PolarHBondContact O-N 3.08Å; N99-A102 WeakPolarHBondContact OD1-CB 3.43Å; N99-A102 PolarHBondContact OD1-N 3.26Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 2.86Å; A102-Q105 PolarHBondContact O-N 2.84Å; A102-S106 WeakPolarHBondContact O-CB 3.41Å; A102-S106 PolarHBondContact O-N 3.08Å
103S81Confident81.8Confident8 Ų867.2 Ų67.26%0.05632%0.324CS..Hα-helixtrans-63.7-37.3175.6-610000112.6S96 N99 L101 F107S96-S103 WeakPolarHBondContact CB-OG 3.48Å; N99-S103 PolarHBondContact O-N 3.2Å; N99-S103 PolarHBondContact O-OG 3.47Å; L101-S103 PolarHBondContact O-N 2.78Å; S103-F107 PolarHBondContact O-N 3.28Å
104R83.4Confident82Confident112 Ų11267.7 Ų67.742%0.42333%0.328SS..Hα-helixtrans-67.3-47.6174.5-75.9173.566104.7-5.3112R100 L101 A102 S106 F107 W108 L138R100-R104 WeakPolarHBondContact O-CG 3.44Å; R100-R104 PolarHBondContact O-N 2.9Å; R100-R104 VanDerWaalsContact O-N 3.12Å; L101-R104 PolarHBondContact O-N 2.9Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 2.86Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 3.24Å; R104-F107 PolarHBondContact O-N 3.4Å; R104-W108 PolarHBondContact O-N 3.37Å; R104-L138 HydrophobicContact CB-CD2 4.27Å; R104-L138 HydrophobicContact CG-CD1 4.02Å; R104-L138 HydrophobicContact CG-CD2 3.72Å
105Q85.4Confident82.4Confident100 Ų10072.8 Ų72.847%0.46735%0.345SS..Hα-helixtrans-58.8-44.3177.4-74.9172.1-18.500110.7L101 A102 F107 W108 A109L101-Q105 WeakPolarHBondContact O-CB 3.4Å; L101-Q105 WeakPolarHBondContact O-CG 3.45Å; L101-Q105 PolarHBondContact O-N 3.27Å; A102-Q105 PolarHBondContact O-N 2.84Å; Q105-F107 PolarHBondContact O-N 3.41Å; Q105-W108 PolarHBondContact O-N 3.17Å; Q105-A109 VanDerWaalsContact O-CB 3.25Å; Q105-A109 WeakPolarHBondContact O-CB 3.31Å; Q105-A109 PolarHBondContact O-N 3.46Å
106S86.9Confident83.4Confident3 Ų369.2 Ų69.22%0.02133%0.33CS..Hα-helixtrans-63.9-42.2178-1710000112.9F75 A102 R104 W108 A109 E110 G225F75-S106 VanDerWaalsContact CD1-CB 3.42Å; F75-S106 WeakPolarHBondContact CD1-OG 3.34Å; F75-S106 WeakPolarHBondContact CG-OG 3.28Å; A102-S106 WeakPolarHBondContact O-CB 3.41Å; A102-S106 PolarHBondContact O-N 3.08Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 3.24Å; S106-W108 PolarHBondContact O-N 2.93Å; S106-A109 PolarHBondContact O-N 3.37Å; S106-E110 WeakPolarHBondContact O-CG 3.5Å; S106-E110 PolarHBondContact O-N 2.98Å; S106-G225 VanDerWaalsContact CA-O 3.29Å; S106-G225 WeakPolarHBondContact CA-O 3.33Å; S106-G225 WeakPolarHBondContact CB-O 3.24Å; S106-G225 WeakPolarHBondContact OG-CA 3.16Å; S106-G225 PolarHBondContact OG-O 2.96Å
107F89.2Confident84.6Confident3 Ų374.1 Ų74.11%0.01335%0.349CS..Hα-helixtrans-58.9-46.3174.3176.4-93.4000112V93 S103 R104 Q105 E110 L111 T129 L138 I141V93-F107 HydrophobicContact CB-CD2 4.24Å; V93-F107 HydrophobicContact CG1-CB 4.32Å; V93-F107 HydrophobicContact CG2-CB 4.26Å; V93-F107 HydrophobicContact CG2-CD2 3.81Å; S103-F107 PolarHBondContact O-N 3.28Å; R104-F107 PolarHBondContact O-N 3.4Å; Q105-F107 PolarHBondContact O-N 3.41Å; F107-E110 PolarHBondContact O-N 3.4Å; F107-L111 HydrophobicContact CD1-CD1 4.38Å; F107-L111 HydrophobicContact CE1-CD1 3.73Å; F107-L111 HydrophobicContact CZ-CD1 4.03Å; F107-T129 HydrophobicContact CD1-CG2 4.38Å; F107-T129 HydrophobicContact CE1-CG2 3.48Å; F107-T129 VanDerWaalsContact CE1-CG2 3.48Å; F107-T129 HydrophobicContact CZ-CG2 3.69Å; F107-L138 HydrophobicContact CB-CD2 4.08Å; F107-I141 HydrophobicContact CD2-CD1 3.87Å; F107-I141 HydrophobicContact CD2-CG1 4.02Å; F107-I141 HydrophobicContact CE2-CD1 3.96Å; F107-I141 HydrophobicContact CE2-CG1 3.65Å
108W89.3Confident86.3Confident146 Ų14670.6 Ų70.655%0.55332%0.319SS*.Hα-helixtrans-69.8-34.4178.2-71.5114.5000112.6R104 Q105 S106 E110 L111 N112R104-W108 PolarHBondContact O-N 3.37Å; Q105-W108 PolarHBondContact O-N 3.17Å; S106-W108 PolarHBondContact O-N 2.93Å; W108-E110 VanDerWaalsContact C-N 3.33Å; W108-E110 PolarHBondContact O-N 2.99Å; W108-L111 HydrophobicContact CE3-CD1 3.97Å; W108-L111 HydrophobicContact CZ3-CD1 4.05Å; W108-L111 PolarHBondContact O-N 2.88Å; W108-N112 PolarHBondContact O-N 3.35Å
109A90.6Very high87.6Confident10 Ų1064 Ų648%0.08330%0.302CS..Hα-helixtrans-60.5-42174.900000111.6Q105 S106 L111 N112 F224 S227Q105-A109 VanDerWaalsContact O-CB 3.25Å; Q105-A109 WeakPolarHBondContact O-CB 3.31Å; Q105-A109 PolarHBondContact O-N 3.46Å; S106-A109 PolarHBondContact O-N 3.37Å; A109-L111 PolarHBondContact O-N 2.98Å; A109-L111 VanDerWaalsContact O-N 3.14Å; A109-N112 VanDerWaalsContact O-CB 3.27Å; A109-N112 WeakPolarHBondContact O-CB 3.33Å; A109-N112 PolarHBondContact O-N 3.17Å; A109-N112 PolarHBondContact O-ND2 3.27Å; A109-F224 CarbonylContact C-O 3.44Å; A109-F224 WeakPolarHBondContact CB-O 3.4Å; A109-S227 VanDerWaalsContact CB-O 3.28Å; A109-S227 WeakPolarHBondContact CB-O 3.48Å; A109-S227 PolarHBondContact O-OG 3.3Å
110E91.8Very high88.9Confident1 Ų160.4 Ų60.41%0.00528%0.283CS..Hα-helixtrans-57.2-29.9174.3-70.9-69.8178.200113.3K91 S106 F107 W108 N112 V113 I141 D223 F224 G225K91-E110 IonicContact NZ-OE1 2.62Å; K91-E110 PolarHBondContact NZ-OE1 2.92Å; S106-E110 WeakPolarHBondContact O-CG 3.5Å; S106-E110 PolarHBondContact O-N 2.98Å; F107-E110 PolarHBondContact O-N 3.4Å; W108-E110 VanDerWaalsContact C-N 3.33Å; W108-E110 PolarHBondContact O-N 2.99Å; E110-N112 VanDerWaalsContact C-N 3.32Å; E110-V113 WeakPolarHBondContact O-CG2 3.39Å; E110-I141 HydrophobicContact CB-CD1 3.32Å; E110-I141 HydrophobicContact CG-CD1 3.77Å; E110-D223 VanDerWaalsContact OE1-OD1 3.11Å; E110-F224 PolarHBondContact N-O 3.2Å; E110-F224 PolarHBondContact OE1-N 3.5Å; E110-F224 WeakPolarHBondContact OE2-CA 3.37Å; E110-F224 WeakPolarHBondContact OE2-CB 3.47Å; E110-F224 PolarHBondContact OE2-N 3.15Å; E110-G225 WeakPolarHBondContact OE1-CA 3.23Å; E110-G225 PolarHBondContact OE1-N 3.08Å
111L91.9Very high89.9Confident28 Ų2853.6 Ų53.615%0.14726%0.258CS..G310 helixtrans-84.5-4.4-179-56.8-176.7000113.4F107 W108 A109 V113 A114 A127 I141F107-L111 HydrophobicContact CD1-CD1 4.38Å; F107-L111 HydrophobicContact CE1-CD1 3.73Å; F107-L111 HydrophobicContact CZ-CD1 4.03Å; W108-L111 HydrophobicContact CE3-CD1 3.97Å; W108-L111 HydrophobicContact CZ3-CD1 4.05Å; W108-L111 PolarHBondContact O-N 2.88Å; A109-L111 PolarHBondContact O-N 2.98Å; A109-L111 VanDerWaalsContact O-N 3.14Å; L111-V113 PolarHBondContact O-N 2.88Å; L111-A114 HydrophobicContact CB-CB 4.47Å; L111-A114 HydrophobicContact CD2-CB 4.35Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 3.27Å; L111-A114 VanDerWaalsContact O-N 3.13Å; L111-A127 HydrophobicContact CD1-CB 4.23Å; L111-A127 HydrophobicContact CD2-CB 3.38Å; L111-A127 HydrophobicContact CG-CB 4.45Å; L111-I141 HydrophobicContact CD2-CD1 4.18Å; L111-I141 HydrophobicContact CD2-CG1 4.42Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å
112N92.7Very high90.8Very high47 Ų4748.3 Ų48.325%0.25123%0.23SC..G310 helixtrans-58.6-37.8175.9-75-31.8000112.1W108 A109 E110 A114 I201 S227W108-N112 PolarHBondContact O-N 3.35Å; A109-N112 VanDerWaalsContact O-CB 3.27Å; A109-N112 WeakPolarHBondContact O-CB 3.33Å; A109-N112 PolarHBondContact O-N 3.17Å; A109-N112 PolarHBondContact O-ND2 3.27Å; E110-N112 VanDerWaalsContact C-N 3.32Å; N112-A114 VanDerWaalsContact C-N 3.29Å; N112-I201 HydrophobicContact CB-CD1 4.47Å; N112-I201 HydrophobicContact CB-CG2 4.39Å; N112-I201 WeakPolarHBondContact O-CD1 3.36Å; N112-S227 PolarHBondContact ND2-O 3.36Å; N112-S227 VanDerWaalsContact ND2-O 3.12Å; N112-S227 PolarHBondContact ND2-OG 2.83Å
113V92.9Very high91.5Very high1 Ų150.3 Ų50.31%0.00623%0.232CC..G310 helixtrans-88.60.1-179-66.50000113.9E110 L111 L116 V124 L196 I201 F224E110-V113 WeakPolarHBondContact O-CG2 3.39Å; L111-V113 PolarHBondContact O-N 2.88Å; V113-L116 HydrophobicContact CB-CD1 4.29Å; V113-L116 HydrophobicContact CG1-CD1 4.46Å; V113-L116 WeakPolarHBondContact O-CB 3.17Å; V113-L116 VanDerWaalsContact O-CG 3.29Å; V113-L116 WeakPolarHBondContact O-CG 3.28Å; V113-L116 PolarHBondContact O-N 3.17Å; V113-L116 VanDerWaalsContact O-N 3.11Å; V113-V124 HydrophobicContact CG2-CG2 4.03Å; V113-L196 HydrophobicContact CG1-CD2 3.59Å; V113-I201 HydrophobicContact CG1-CD1 4.2Å; V113-I201 HydrophobicContact CG1-CG2 4.2Å; V113-F224 HydrophobicContact CB-CD1 4.38Å; V113-F224 HydrophobicContact CB-CD2 4.41Å; V113-F224 HydrophobicContact CB-CE1 4.44Å; V113-F224 HydrophobicContact CB-CE2 4.46Å; V113-F224 HydrophobicContact CB-CG 4.37Å; V113-F224 HydrophobicContact CG1-CD1 3.35Å; V113-F224 HydrophobicContact CG1-CD2 4.17Å; V113-F224 HydrophobicContact CG1-CE1 3.37Å; V113-F224 HydrophobicContact CG1-CE2 4.18Å; V113-F224 HydrophobicContact CG1-CG 3.78Å; V113-F224 HydrophobicContact CG1-CZ 3.83Å; V113-F224 HydrophobicContact CG2-CB 4.21Å; V113-F224 HydrophobicContact CG2-CD1 4.19Å; V113-F224 HydrophobicContact CG2-CD2 3.51Å; V113-F224 HydrophobicContact CG2-CE2 3.87Å; V113-F224 HydrophobicContact CG2-CG 3.7Å; V113-F224 HydrophobicContact CG2-CZ 4.38Å
114A90.8Very high92.2Very high11 Ų1150.4 Ų50.49%0.09123%0.233CC..THydrogen-bonded Turntrans-77.7148.6-168.900000107.5W56 L111 N112 L116 V124W56-A114 HydrophobicContact CH2-CB 2.82Å; W56-A114 WeakPolarHBondContact CH2-O 3.29Å; W56-A114 HydrophobicContact CZ2-CB 3.76Å; W56-A114 HydrophobicContact CZ3-CB 3.25Å; L111-A114 HydrophobicContact CB-CB 4.47Å; L111-A114 HydrophobicContact CD2-CB 4.35Å; L111-A114 WeakPolarHBondContact O-CB 3.41Å; L111-A114 PolarHBondContact O-N 3.27Å; L111-A114 VanDerWaalsContact O-N 3.13Å; N112-A114 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.05Å; A114-V124 HydrophobicContact CB-CB 3.56Å; A114-V124 HydrophobicContact CB-CG1 3.66Å; A114-V124 HydrophobicContact CB-CG2 3.86Å
115R87.4Confident92.6Very high209 Ų20946.1 Ų46.179%0.78922%0.218SC*.THydrogen-bonded Turntrans72-5.1-165-50.2176.659.8-172.8-4.1113.6W56W56-R115 HydrophobicContact CD2-CG 3.92Å; W56-R115 HydrophobicContact CE3-CG 3.45Å; W56-R115 VanDerWaalsContact CE3-CG 3.45Å; W56-R115 HydrophobicContact CH2-CB 4.26Å; W56-R115 HydrophobicContact CH2-CG 3.39Å; W56-R115 VanDerWaalsContact CH2-N 3.34Å; W56-R115 HydrophobicContact CZ2-CG 4.04Å; W56-R115 HydrophobicContact CZ3-CB 4.08Å; W56-R115 HydrophobicContact CZ3-CG 3.21Å
116L92.5Very high92.8Very high30 Ų3041.4 Ų41.416%0.15720%0.197CC..  trans-81.9146.8169.1-52.5-175.7000110.2V113 A114 F195 Q199 I201V113-L116 HydrophobicContact CB-CD1 4.29Å; V113-L116 HydrophobicContact CG1-CD1 4.46Å; V113-L116 WeakPolarHBondContact O-CB 3.17Å; V113-L116 VanDerWaalsContact O-CG 3.29Å; V113-L116 WeakPolarHBondContact O-CG 3.28Å; V113-L116 PolarHBondContact O-N 3.17Å; V113-L116 VanDerWaalsContact O-N 3.11Å; A114-L116 PolarHBondContact O-N 3.05Å; L116-F195 HydrophobicContact CB-CE1 3.95Å; L116-F195 HydrophobicContact CB-CZ 3.99Å; L116-F195 HydrophobicContact CD1-CE1 4.02Å; L116-F195 HydrophobicContact CD1-CZ 4.31Å; L116-F195 HydrophobicContact CD2-CZ 4.36Å; L116-F195 HydrophobicContact CG-CE1 4.5Å; L116-F195 HydrophobicContact CG-CZ 4.46Å; L116-Q199 HydrophobicContact CD1-CB 4.27Å; L116-Q199 HydrophobicContact CD1-CG 4.09Å; L116-Q199 HydrophobicContact CD2-CG 4.21Å; L116-I201 HydrophobicContact CD1-CD1 3.55Å
117Q94.4Very high93Very high144 Ų14441.7 Ų41.767%0.67320%0.199SC*.  trans-138.9120.9174.4-176.3171.95.600108.6
118H97.1Very high93Very high46 Ų4642 Ų4221%0.21320%0.202CC..BIsolated β-bridgetrans-150.3150.3178.5-175.9-96.6000109.9N120 V121 F195H118-N120 PolarHBondContact CE1-OD1 2.66Å; H118-N120 PolarHBondContact ND1-N 3.18Å; H118-N120 PolarHBondContact O-N 2.94Å; H118-V121 HydrophobicContact CB-CB 4.15Å; H118-V121 HydrophobicContact CB-CG2 4.27Å; H118-V121 PolarHBondContact O-N 2.97Å; H118-F195 HydrophobicContact CB-CD1 3.53Å; H118-F195 HydrophobicContact CB-CD2 4.35Å; H118-F195 HydrophobicContact CB-CE1 3.59Å; H118-F195 HydrophobicContact CB-CE2 4.4Å; H118-F195 HydrophobicContact CB-CG 3.93Å; H118-F195 HydrophobicContact CB-CZ 4.04Å; H118-F195 AromaticContact CD2-CD2 3.8Å; H118-F195 AromaticContact CD2-CG 3.61Å; H118-F195 AromaticContact CG-CD1 3.72Å; H118-F195 AromaticContact CG-CG 3.67Å
119A96.9Very high92.7Very high64 Ų6438.7 Ų38.753%0.52920%0.198SC..THydrogen-bonded Turntrans-63.1-28.9-175.700000113.1K220A119-K220 WeakPolarHBondContact O-CE 3.39Å; A119-K220 WeakPolarHBondContact O-CG 3.49Å
120N98.3Very high91.9Very high10 Ų1042.6 Ų42.65%0.05322%0.223CC..THydrogen-bonded Turntrans-110.619.3-177.7-50.3104.7000114.1H118 D188 C219 K220 I221H118-N120 PolarHBondContact CE1-OD1 2.66Å; H118-N120 PolarHBondContact ND1-N 3.18Å; H118-N120 PolarHBondContact O-N 2.94Å; N120-D188 VanDerWaalsContact CB-O 3.26Å; N120-D188 WeakPolarHBondContact CB-O 3.19Å; N120-D188 VanDerWaalsContact ND2-CB 3.28Å; N120-D188 WeakPolarHBondContact ND2-CB 3.34Å; N120-D188 PolarHBondContact ND2-OD1 3.27Å; N120-C219 WeakPolarHBondContact CA-O 3.42Å; N120-C219 WeakPolarHBondContact CB-O 3.46Å; N120-C219 PolarHBondContact ND2-O 3.01Å; N120-K220 WeakPolarHBondContact O-CA 3.43Å; N120-I221 PolarHBondContact O-N 3.32Å
121V98Very high90.8Very high3 Ų344 Ų442%0.01823%0.232CC..BIsolated β-bridgetrans-130.9134.1175.9172.70000109H118 R123 F195 L196 F224H118-V121 HydrophobicContact CB-CB 4.15Å; H118-V121 HydrophobicContact CB-CG2 4.27Å; H118-V121 PolarHBondContact O-N 2.97Å; V121-R123 PolarHBondContact O-N 3.11Å; V121-F195 HydrophobicContact CG2-CD1 4.07Å; V121-L196 HydrophobicContact CG1-CD2 4.34Å; V121-L196 HydrophobicContact CG2-CD1 4.21Å; V121-L196 HydrophobicContact CG2-CD2 4.19Å; V121-L196 HydrophobicContact CG2-CG 4.01Å; V121-F224 HydrophobicContact CG1-CE2 4.1Å; V121-F224 HydrophobicContact CG1-CZ 3.71Å
122V96.9Very high89.8Confident11 Ų1144.8 Ų44.87%0.06724%0.239CC..PPolyproline II helixtrans-64.2122175.81760000109.7M143 E144 V146 F212 K220 I221V122-M143 HydrophobicContact CG1-CB 4.16Å; V122-E144 WeakPolarHBondContact CA-OE1 3.4Å; V122-E144 HydrophobicContact CG1-CG 3.95Å; V122-V146 HydrophobicContact CG2-CG2 3.79Å; V122-F212 HydrophobicContact CG2-CD2 4.13Å; V122-K220 HydrophobicContact CG2-CB 4.03Å; V122-I221 WeakPolarHBondContact CG2-O 3.46Å; V122-I221 PolarHBondContact N-O 3.19Å
123R94.9Very high88.3Confident70 Ų7048 Ų4826%0.26427%0.272SS..PPolyproline II helixtrans-77.9127.4179.1-173.3177.768172.63.3111.6V121 M143 E144V121-R123 PolarHBondContact O-N 3.11Å; R123-M143 WeakPolarHBondContact O-CA 3.21Å; R123-E144 HydrophobicContact CB-CG 4.16Å; R123-E144 WeakPolarHBondContact CB-OE1 3.41Å; R123-E144 PolarHBondContact N-OE1 3.03Å; R123-E144 PolarHBondContact O-N 3.19Å
124V94.4Very high86.7Confident10 Ų1053.2 Ų53.26%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-79127.3164.9179.70000109.2V113 A114 I141 M143V113-V124 HydrophobicContact CG2-CG2 4.03Å; A114-V124 HydrophobicContact CB-CB 3.56Å; A114-V124 HydrophobicContact CB-CG1 3.66Å; A114-V124 HydrophobicContact CB-CG2 3.86Å; V124-I141 HydrophobicContact CG1-CG2 3.94Å; V124-M143 HydrophobicContact CG2-CG 4.34Å
125V92Very high85.5Confident21 Ų2155.8 Ų55.813%0.12732%0.319CS..EExtended strand (participates in β ladder)trans-92.5-49.2-177.6177.10000110.6L50 Y83 I142L50-V125 HydrophobicContact CD1-CB 4.35Å; L50-V125 HydrophobicContact CD1-CG1 3.8Å; L50-V125 HydrophobicContact CD1-CG2 3.56Å; L50-V125 HydrophobicContact CD2-CG1 4.24Å; Y83-V125 HydrophobicContact CD1-CG1 4.33Å; Y83-V125 HydrophobicContact CE1-CG1 4.48Å; V125-I142 WeakPolarHBondContact CA-O 3.39Å; V125-I142 HydrophobicContact CB-CB 4.38Å; V125-I142 HydrophobicContact CB-CG2 4.06Å; V125-I142 WeakPolarHBondContact CB-O 3.42Å; V125-I142 HydrophobicContact CG1-CG2 4.36Å; V125-I142 PolarHBondContact N-O 3.44Å
126A90.6Very high84.5Confident2 Ų251.9 Ų51.92%0.01731%0.313CS..EExtended strand (participates in β ladder)trans-156.2160.3-179.800000109.9I59 I142I59-A126 HydrophobicContact CG1-CB 4.09Å; A126-I142 HydrophobicContact CB-CB 4.27Å; A126-I142 HydrophobicContact CB-CD1 4.35Å; A126-I142 HydrophobicContact CB-CG1 4.5Å; A126-I142 PolarHBondContact N-O 2.92Å; A126-I142 VanDerWaalsContact N-O 3.15Å; A126-I142 PolarHBondContact O-N 3.45Å
127A91Very high83.8Confident8 Ų851.1 Ų51.17%0.06631%0.311CS..EExtended strand (participates in β ladder)trans-148.4152.5171.300000109.3C57 L111 T140 I141C57-A127 CarbonylContact C-O 3.52Å; C57-A127 VanDerWaalsContact CA-O 3.26Å; C57-A127 WeakPolarHBondContact CA-O 3.43Å; L111-A127 HydrophobicContact CD1-CB 4.23Å; L111-A127 HydrophobicContact CD2-CB 3.38Å; L111-A127 HydrophobicContact CG-CB 4.45Å; A127-T140 CarbonylContact C-O 3.52Å; A127-T140 VanDerWaalsContact CA-O 3.26Å; A127-T140 WeakPolarHBondContact CA-O 3.39Å; A127-I141 HydrophobicContact CB-CG1 4.3Å; A127-I141 HydrophobicContact CB-CG2 4.4Å
128S88.1Confident83.2Confident9 Ų945.6 Ų45.66%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-151.4139.5175.4179.50000110.3C130 G139 T140S128-C130 PolarHBondContact OG-N 3.45Å; S128-C130 PolarHBondContact OG-O 3.1Å; S128-G139 CarbonylContact O-C 3.48Å; S128-G139 WeakPolarHBondContact O-CA 3.39Å; S128-T140 PolarHBondContact N-O 3.5Å; S128-T140 PolarHBondContact O-N 2.81Å
129T84.3Confident82.7Confident77 Ų7743.4 Ų43.447%0.47228%0.276SS..SBendtrans-87.4-15167.852.10000112.1F107 T131F107-T129 HydrophobicContact CD1-CG2 4.38Å; F107-T129 HydrophobicContact CE1-CG2 3.48Å; F107-T129 VanDerWaalsContact CE1-CG2 3.48Å; F107-T129 HydrophobicContact CZ-CG2 3.69Å; T129-T131 PolarHBondContact O-N 2.99Å; T129-T131 VanDerWaalsContact O-N 3.15Å
130C72.3Confident82.5Confident92 Ų9240.4 Ų40.462%0.62225%0.25SS*.  trans-83.786178.1-600000109.1W61 S128W61-C130 WeakPolarHBondContact CZ2-O 3.48Å; S128-C130 PolarHBondContact OG-N 3.45Å; S128-C130 PolarHBondContact OG-O 3.1Å
131T69.6Low82.2Confident30 Ų3039.9 Ų39.918%0.18425%0.248CC..  trans-89.7148173.555.20000110.4W61 T129 A133 S137W61-T131 HydrophobicContact CH2-CG2 4.26Å; T129-T131 PolarHBondContact O-N 2.99Å; T129-T131 VanDerWaalsContact O-N 3.15Å; T131-A133 PolarHBondContact O-N 2.93Å; T131-S137 PolarHBondContact OG1-O 2.86Å
132P71.1Confident82Confident46 Ų4639.8 Ų39.830%0.29925%0.247SC..  trans-53.2138.2175.1-25.534.2000110.8W61 S134 Q135W61-P132 HydrophobicContact CD2-CG 4.19Å; W61-P132 HydrophobicContact CE3-CG 4.19Å; P132-S134 PolarHBondContact O-N 3.35Å; P132-Q135 PolarHBondContact O-N 3.47Å
133A60.4Low82Confident114 Ų11440.2 Ų40.294%0.94225%0.249SC*.THydrogen-bonded Turntrans-57-18.4-171.700000114.7T131 Q135T131-A133 PolarHBondContact O-N 2.93Å; A133-Q135 VanDerWaalsContact C-N 3.32Å
134S60.2Low82Confident111 Ų11138.7 Ų38.778%0.77624%0.244SC*.THydrogen-bonded Turntrans-76.1-12.7174.9550000114.3P132P132-S134 PolarHBondContact O-N 3.35Å
135Q65.4Low82Confident64 Ų6440.3 Ų40.330%0.29925%0.25SC..SBendtrans-107.1119.6-179-63.6-177.112.900110.7P132 A133 S137P132-Q135 PolarHBondContact O-N 3.47Å; A133-Q135 VanDerWaalsContact C-N 3.32Å; Q135-S137 PolarHBondContact O-N 3.36Å
136N67.1Low82.1Confident127 Ų12740.2 Ų40.268%0.67925%0.249SC*.  trans-76.856.3174.5-170.324.5000111.9K95K95-N136 PolarHBondContact N-O 3.11Å
137S76.9Confident82.1Confident14 Ų1440.8 Ų40.810%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-112144.2-179.2178.90000110.7V93 T131 Q135 G139V93-S137 CarbonylContact O-C 3.53Å; V93-S137 WeakPolarHBondContact O-CA 3.3Å; V93-S137 PolarHBondContact O-OG 3.49Å; T131-S137 PolarHBondContact OG1-O 2.86Å; Q135-S137 PolarHBondContact O-N 3.36Å; S137-G139 VanDerWaalsContact C-N 3.34Å; S137-G139 PolarHBondContact OG-N 2.93Å; S137-G139 PolarHBondContact OG-O 3.41Å; S137-G139 VanDerWaalsContact OG-O 3.06Å
138L81.3Confident81.9Confident29 Ų2943.7 Ų43.715%0.15227%0.27CS..EExtended strand (participates in β ladder)trans-73.6-30.8172.7-177.870.8000111.7V93 R104 F107V93-L138 HydrophobicContact CB-CB 4.39Å; V93-L138 HydrophobicContact CG1-CB 4.12Å; V93-L138 HydrophobicContact CG1-CD2 4.06Å; V93-L138 PolarHBondContact O-N 2.79Å; R104-L138 HydrophobicContact CB-CD2 4.27Å; R104-L138 HydrophobicContact CG-CD1 4.02Å; R104-L138 HydrophobicContact CG-CD2 3.72Å; F107-L138 HydrophobicContact CB-CD2 4.08Å
139G87.6Confident82Confident0 Ų046.2 Ų46.20%028%0.282CS..EExtended strand (participates in β ladder)trans174.7158.1-173.900000111.4V93 S128 S137V93-G139 PolarHBondContact N-O 3.42Å; S128-G139 CarbonylContact O-C 3.48Å; S128-G139 WeakPolarHBondContact O-CA 3.39Å; S137-G139 VanDerWaalsContact C-N 3.34Å; S137-G139 PolarHBondContact OG-N 2.93Å; S137-G139 PolarHBondContact OG-O 3.41Å; S137-G139 VanDerWaalsContact OG-O 3.06Å
140T91.4Very high82.6Confident0 Ų043.1 Ų43.10%026%0.263CS..EExtended strand (participates in β ladder)trans-118.2136.8179.4-64.30000109.8I59 W61 V90 K91 A127 S128I59-T140 HydrophobicContact CD1-CG2 3.89Å; W61-T140 HydrophobicContact CH2-CG2 4.15Å; W61-T140 HydrophobicContact CZ3-CG2 4.39Å; V90-T140 HydrophobicContact CG1-CG2 3.45Å; V90-T140 VanDerWaalsContact CG1-CG2 3.45Å; K91-T140 WeakPolarHBondContact O-CA 3.03Å; A127-T140 CarbonylContact C-O 3.52Å; A127-T140 VanDerWaalsContact CA-O 3.26Å; A127-T140 WeakPolarHBondContact CA-O 3.39Å; S128-T140 PolarHBondContact N-O 3.5Å; S128-T140 PolarHBondContact O-N 2.81Å
141I92.9Very high83.6Confident0 Ų038.7 Ų38.70%023%0.233CC..EExtended strand (participates in β ladder)trans-123.1122.8177-50.3-179.4000107.7V90 K91 F107 E110 L111 V124 A127 M143V90-I141 CarbonylContact C-O 3.21Å; V90-I141 WeakPolarHBondContact CA-O 3.49Å; K91-I141 HydrophobicContact CB-CB 4.47Å; K91-I141 PolarHBondContact N-O 3.22Å; K91-I141 PolarHBondContact O-N 3.46Å; F107-I141 HydrophobicContact CD2-CD1 3.87Å; F107-I141 HydrophobicContact CD2-CG1 4.02Å; F107-I141 HydrophobicContact CE2-CD1 3.96Å; F107-I141 HydrophobicContact CE2-CG1 3.65Å; E110-I141 HydrophobicContact CB-CD1 3.32Å; E110-I141 HydrophobicContact CG-CD1 3.77Å; L111-I141 HydrophobicContact CD2-CD1 4.18Å; L111-I141 HydrophobicContact CD2-CG1 4.42Å; L111-I141 HydrophobicContact CD2-CG2 4.37Å; V124-I141 HydrophobicContact CG1-CG2 3.94Å; A127-I141 HydrophobicContact CB-CG1 4.3Å; A127-I141 HydrophobicContact CB-CG2 4.4Å; I141-M143 HydrophobicContact CG2-CG 3.99Å; I141-M143 HydrophobicContact CG2-SD 4.45Å
142I94.4Very high84.8Confident0 Ų040.7 Ų40.70%024%0.24CC..EExtended strand (participates in β ladder)trans-98.7126.8174.7-52.4-175.8000107.9I59 L64 Y83 V88 V90 V125 A126I59-I142 HydrophobicContact CB-CD1 4.45Å; I59-I142 HydrophobicContact CD1-CD1 3.95Å; I59-I142 HydrophobicContact CD1-CG1 3.94Å; I59-I142 HydrophobicContact CG1-CD1 3.97Å; I59-I142 HydrophobicContact CG1-CG1 4.4Å; I59-I142 HydrophobicContact CG2-CD1 3.73Å; L64-I142 HydrophobicContact CD1-CD1 4.06Å; L64-I142 HydrophobicContact CD2-CD1 4.41Å; Y83-I142 HydrophobicContact CD1-CD1 4.26Å; Y83-I142 HydrophobicContact CD1-CG2 4.48Å; Y83-I142 HydrophobicContact CD2-CD1 3.84Å; Y83-I142 HydrophobicContact CE1-CD1 4.36Å; Y83-I142 HydrophobicContact CE2-CD1 3.96Å; Y83-I142 HydrophobicContact CG-CD1 4Å; V88-I142 HydrophobicContact CB-CG2 3.81Å; V88-I142 HydrophobicContact CG1-CG2 4Å; V88-I142 HydrophobicContact CG2-CG2 3.82Å; V90-I142 HydrophobicContact CG2-CG1 4.43Å; V125-I142 WeakPolarHBondContact CA-O 3.39Å; V125-I142 HydrophobicContact CB-CB 4.38Å; V125-I142 HydrophobicContact CB-CG2 4.06Å; V125-I142 WeakPolarHBondContact CB-O 3.42Å; V125-I142 HydrophobicContact CG1-CG2 4.36Å; V125-I142 PolarHBondContact N-O 3.44Å; A126-I142 HydrophobicContact CB-CB 4.27Å; A126-I142 HydrophobicContact CB-CD1 4.35Å; A126-I142 HydrophobicContact CB-CG1 4.5Å; A126-I142 PolarHBondContact N-O 2.92Å; A126-I142 VanDerWaalsContact N-O 3.15Å; A126-I142 PolarHBondContact O-N 3.45Å
143M95.1Very high85.8Confident20 Ų2043.1 Ų43.110%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-128.2160.5-177.3-59.1171.2-71.300109.6V88 A89 K91 V122 R123 V124 I141 Y145V88-M143 WeakPolarHBondContact CA-O 3.43Å; V88-M143 WeakPolarHBondContact CB-O 3.2Å; A89-M143 HydrophobicContact CB-CE 4.45Å; A89-M143 PolarHBondContact N-O 2.93Å; A89-M143 PolarHBondContact O-N 2.9Å; K91-M143 HydrophobicContact CB-CE 3.66Å; V122-M143 HydrophobicContact CG1-CB 4.16Å; R123-M143 WeakPolarHBondContact O-CA 3.21Å; V124-M143 HydrophobicContact CG2-CG 4.34Å; I141-M143 HydrophobicContact CG2-CG 3.99Å; I141-M143 HydrophobicContact CG2-SD 4.45Å; M143-Y145 PolarHBondContact O-N 2.9Å
144E95Very high87.2Confident38 Ų3839.6 Ų39.618%0.17821%0.214CC..EExtended strand (participates in β ladder)trans-59.3141.1167.169.9176.5142.700110.4V122 R123 V146 K220V122-E144 WeakPolarHBondContact CA-OE1 3.4Å; V122-E144 HydrophobicContact CG1-CG 3.95Å; R123-E144 HydrophobicContact CB-CG 4.16Å; R123-E144 WeakPolarHBondContact CB-OE1 3.41Å; R123-E144 PolarHBondContact N-OE1 3.03Å; R123-E144 PolarHBondContact O-N 3.19Å; E144-V146 HydrophobicContact CG-CG2 4.14Å; E144-K220 IonicContact OE1-NZ 2.74Å; E144-K220 PolarHBondContact OE1-NZ 3.44Å; E144-K220 IonicContact OE2-NZ 2.69Å; E144-K220 PolarHBondContact OE2-NZ 2.8Å
145Y95.6Very high88.7Confident44 Ų4434.9 Ų34.917%0.17318%0.18CC..  trans-88.4113.4170.3176.7-103.5000108.8L70 K80 V87 A89 M143 N148L70-Y145 HydrophobicContact CD1-CD2 4.06Å; L70-Y145 HydrophobicContact CD1-CE2 3.83Å; L70-Y145 HydrophobicContact CD2-CE2 4.27Å; K80-Y145 HydrophobicContact CD-CE1 4.44Å; K80-Y145 HydrophobicContact CD-CE2 4.09Å; K80-Y145 HydrophobicContact CG-CD2 4.35Å; K80-Y145 HydrophobicContact CG-CE2 4.17Å; K80-Y145 PolarHBondContact NZ-OH 3.22Å; V87-Y145 HydrophobicContact CG1-CD1 3.68Å; V87-Y145 HydrophobicContact CG1-CE1 4.3Å; V87-Y145 HydrophobicContact CG1-CG 3.95Å; A89-Y145 HydrophobicContact CB-CD2 4.42Å; M143-Y145 PolarHBondContact O-N 2.9Å; Y145-N148 PolarHBondContact OH-ND2 2.73Å; Y145-N148 PolarHBondContact OH-OD1 3.33Å
146V94.1Very high89.9Confident19 Ų1934.9 Ų34.912%0.11518%0.178CC..  trans-83-33.5-176.8-178.20000112.4V122 E144 F212 T214 K220V122-V146 HydrophobicContact CG2-CG2 3.79Å; E144-V146 HydrophobicContact CG-CG2 4.14Å; V146-F212 HydrophobicContact CB-CB 3.82Å; V146-F212 HydrophobicContact CB-CG 4.41Å; V146-F212 HydrophobicContact CG1-CB 3.58Å; V146-F212 HydrophobicContact CG2-CB 4.28Å; V146-T214 HydrophobicContact CG1-CG2 3.62Å; V146-K220 HydrophobicContact CG1-CB 4.4Å; V146-K220 HydrophobicContact CG1-CD 4.15Å; V146-K220 HydrophobicContact CG1-CG 4.47Å; V146-K220 HydrophobicContact CG2-CB 4.42Å; V146-K220 HydrophobicContact CG2-CD 3.86Å
147G90.4Very high90.4Very high15 Ų1531.1 Ų31.116%0.15517%0.169CC..  trans148.5178.8-173.400000111.1
148N86.5Confident89.2Confident68 Ų6834.4 Ų34.436%0.36420%0.197SC..SBendtrans-90.6-10.1176.3-69.3-33.5000113.2Y145 W162Y145-N148 PolarHBondContact OH-ND2 2.73Å; Y145-N148 PolarHBondContact OH-OD1 3.33Å; N148-W162 HydrophobicContact CB-CH2 4.17Å
149I91.4Very high87.5Confident63 Ų6337 Ų3732%0.32322%0.217SC..  trans-96.8128-172.8-56.7177.3000108.8H153 V154 W162 I213I149-H153 HydrophobicContact CG2-CB 4.45Å; I149-V154 HydrophobicContact CG2-CG2 3.67Å; I149-W162 HydrophobicContact CD1-CE3 4.46Å; I149-I213 HydrophobicContact CG2-CB 4.36Å; I149-I213 HydrophobicContact CG2-CD1 4.36Å; I149-I213 PolarHBondContact O-N 2.98Å
150T95Very high85.2Confident11 Ų1144.8 Ų44.87%0.06726%0.259CS..BIsolated β-bridgetrans-113.2162.5169.468.50000109H152 H153 V154 V211 F212T150-H152 PolarHBondContact O-N 2.85Å; T150-H152 WeakPolarHBondContact OG1-CB 3.37Å; T150-H152 PolarHBondContact OG1-N 3.12Å; T150-H153 PolarHBondContact N-ND1 2.76Å; T150-H153 WeakPolarHBondContact O-CB 3.26Å; T150-H153 PolarHBondContact O-N 2.69Å; T150-H153 PolarHBondContact OG1-N 2.94Å; T150-H153 PolarHBondContact OG1-ND1 2.92Å; T150-V154 PolarHBondContact O-N 3.4Å; T150-V154 VanDerWaalsContact O-N 3.11Å; T150-V211 CarbonylContact C-O 3.56Å; T150-V211 VanDerWaalsContact CA-O 3.22Å; T150-V211 WeakPolarHBondContact CA-O 3.32Å; T150-V211 WeakPolarHBondContact CB-O 3.28Å; T150-F212 HydrophobicContact CG2-CD1 3.73Å; T150-F212 HydrophobicContact CG2-CE1 3.74Å; T150-F212 HydrophobicContact CG2-CG 4.43Å; T150-F212 HydrophobicContact CG2-CZ 4.46Å
151L95.1Very high82.8Confident0 Ų048.2 Ų48.20%029%0.288CS..Hα-helixtrans-58.6-30.4174.4-176.563.3000111.3H153 V154 I155 Y185 I189 P208 V211 I213 T272 I276L151-H153 PolarHBondContact O-N 3.06Å; L151-V154 PolarHBondContact O-N 3.32Å; L151-I155 HydrophobicContact CD1-CD1 4.33Å; L151-I155 HydrophobicContact CD1-CG1 4.37Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 3.89Å; L151-I155 HydrophobicContact CG-CG1 4.35Å; L151-I155 WeakPolarHBondContact O-CB 3.3Å; L151-I155 VanDerWaalsContact O-CG1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.34Å; L151-Y185 HydrophobicContact CD1-CD2 3.96Å; L151-Y185 HydrophobicContact CD1-CE2 4.46Å; L151-I189 HydrophobicContact CD2-CD1 3.96Å; L151-P208 HydrophobicContact CB-CB 4.21Å; L151-P208 WeakPolarHBondContact CB-O 3.34Å; L151-P208 HydrophobicContact CD2-CB 4.39Å; L151-P208 HydrophobicContact CG-CB 4.16Å; L151-P208 PolarHBondContact N-O 2.79Å; L151-V211 HydrophobicContact CB-CB 3.94Å; L151-V211 HydrophobicContact CB-CG1 4.15Å; L151-V211 HydrophobicContact CD2-CB 4.29Å; L151-V211 HydrophobicContact CD2-CG1 4.34Å; L151-V211 PolarHBondContact N-O 3.48Å; L151-I213 HydrophobicContact CD1-CD1 4.41Å; L151-T272 HydrophobicContact CD2-CG2 3.88Å; L151-I276 HydrophobicContact CD1-CD1 4.35Å; L151-I276 HydrophobicContact CD1-CG1 4.13Å; L151-I276 HydrophobicContact CD2-CD1 3.74Å; L151-I276 HydrophobicContact CD2-CG1 3.85Å; L151-I276 HydrophobicContact CG-CG1 4.3Å
152H94.4Very high80.6Confident71 Ų7156.7 Ų56.733%0.32932%0.32SS..Hα-helixtrans-59.3-45.5171.6-17393.6000112.2T150 V154 I155 Y156 P208 A209T150-H152 PolarHBondContact O-N 2.85Å; T150-H152 WeakPolarHBondContact OG1-CB 3.37Å; T150-H152 PolarHBondContact OG1-N 3.12Å; H152-V154 VanDerWaalsContact C-N 3.29Å; H152-V154 PolarHBondContact O-N 2.99Å; H152-I155 PolarHBondContact O-N 2.94Å; H152-Y156 AromaticContact CD2-CD2 3.98Å; H152-Y156 AromaticContact CE1-CD2 3.39Å; H152-Y156 WeakPolarHBondContact CE1-CD2 3.21Å; H152-Y156 AromaticContact CE1-CE2 3.75Å; H152-Y156 AromaticContact CG-CD2 3.85Å; H152-Y156 AromaticContact ND1-CD2 3.48Å; H152-Y156 WeakPolarHBondContact ND1-CD2 3.42Å; H152-Y156 AromaticContact ND1-CE2 3.64Å; H152-Y156 AromaticContact NE2-CD2 3.71Å; H152-Y156 WeakPolarHBondContact O-CD2 3.31Å; H152-Y156 PolarHBondContact O-N 3.26Å; H152-P208 HydrophobicContact CB-CB 3.9Å; H152-P208 PolarHBondContact N-O 3.43Å; H152-A209 HydrophobicContact CB-CB 4.13Å
153H91.5Very high78.2Confident98 Ų9864.9 Ų64.945%0.45435%0.351SS..Hα-helixtrans-63.1-36.9175.2-63.3102.4000111.4I149 T150 L151 I155 G157I149-H153 HydrophobicContact CG2-CB 4.45Å; T150-H153 PolarHBondContact N-ND1 2.76Å; T150-H153 WeakPolarHBondContact O-CB 3.26Å; T150-H153 PolarHBondContact O-N 2.69Å; T150-H153 PolarHBondContact OG1-N 2.94Å; T150-H153 PolarHBondContact OG1-ND1 2.92Å; L151-H153 PolarHBondContact O-N 3.06Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.97Å; H153-G157 WeakPolarHBondContact O-CA 3.41Å; H153-G157 PolarHBondContact O-N 3.36Å
154V90.7Very high75.5Confident39 Ų3972.6 Ų72.624%0.23639%0.386CS..Hα-helixtrans-70.5-29.1177.2176.20000112.6I149 T150 L151 H152 L177 Y185 I213 R279I149-V154 HydrophobicContact CG2-CG2 3.67Å; T150-V154 PolarHBondContact O-N 3.4Å; T150-V154 VanDerWaalsContact O-N 3.11Å; L151-V154 PolarHBondContact O-N 3.32Å; H152-V154 VanDerWaalsContact C-N 3.29Å; H152-V154 PolarHBondContact O-N 2.99Å; V154-L177 HydrophobicContact CG1-CD1 3.66Å; V154-L177 HydrophobicContact CG1-CD2 3.63Å; V154-L177 HydrophobicContact CG1-CG 3.71Å; V154-Y185 HydrophobicContact CG1-CE2 4.34Å; V154-I213 HydrophobicContact CB-CD1 4.22Å; V154-I213 HydrophobicContact CG2-CD1 3.43Å; V154-I213 VanDerWaalsContact CG2-CD1 3.43Å; V154-R279 VanDerWaalsContact C-NH1 3.33Å; V154-R279 PolarHBondContact O-NH1 2.64Å
155I91.2Very high72.7Confident13 Ų1373.8 Ų73.87%0.06741%0.409CS..Hα-helixtrans-81.3-47.5178.9-65.5171.7000112.4L151 H152 H153 P208 Q275 I276 R279L151-I155 HydrophobicContact CD1-CD1 4.33Å; L151-I155 HydrophobicContact CD1-CG1 4.37Å; L151-I155 HydrophobicContact CD2-CD1 4.45Å; L151-I155 HydrophobicContact CG-CD1 3.89Å; L151-I155 HydrophobicContact CG-CG1 4.35Å; L151-I155 WeakPolarHBondContact O-CB 3.3Å; L151-I155 VanDerWaalsContact O-CG1 3.23Å; L151-I155 WeakPolarHBondContact O-CG1 3.42Å; L151-I155 PolarHBondContact O-N 3.34Å; H152-I155 PolarHBondContact O-N 2.94Å; H153-I155 VanDerWaalsContact C-N 3.32Å; H153-I155 PolarHBondContact O-N 2.97Å; I155-P208 HydrophobicContact CD1-CB 3.89Å; I155-P208 HydrophobicContact CD1-CG 3.76Å; I155-Q275 HydrophobicContact CD1-CB 4.06Å; I155-Q275 WeakPolarHBondContact CG2-O 3.42Å; I155-I276 HydrophobicContact CD1-CG1 3.93Å; I155-R279 HydrophobicContact CG2-CB 4.41Å
156Y89.9Confident70.2Confident64 Ų6480.7 Ų80.725%0.25144%0.443SS..Hα-helixtrans-115-16.3-170.8-53.4-68.8000113.9H152 A158 Q275 E280H152-Y156 AromaticContact CD2-CD2 3.98Å; H152-Y156 AromaticContact CE1-CD2 3.39Å; H152-Y156 WeakPolarHBondContact CE1-CD2 3.21Å; H152-Y156 AromaticContact CE1-CE2 3.75Å; H152-Y156 AromaticContact CG-CD2 3.85Å; H152-Y156 AromaticContact ND1-CD2 3.48Å; H152-Y156 WeakPolarHBondContact ND1-CD2 3.42Å; H152-Y156 AromaticContact ND1-CE2 3.64Å; H152-Y156 AromaticContact NE2-CD2 3.71Å; H152-Y156 WeakPolarHBondContact O-CD2 3.31Å; H152-Y156 PolarHBondContact O-N 3.26Å; Y156-A158 PolarHBondContact O-N 2.85Å; Y156-Q275 PolarHBondContact OH-NE2 3.47Å; Y156-E280 PolarHBondContact OH-O 3.15Å
157G77Confident67.5Low48 Ų4887.5 Ų87.550%0.49548%0.479SS..  trans-80.599.6-175.700000111.7H153H153-G157 WeakPolarHBondContact O-CA 3.41Å; H153-G157 PolarHBondContact O-N 3.36Å
158A53.7Low65.2Low82 Ų8294.3 Ų94.368%0.67851%0.512SS*.  trans-115101.7155.900000107.5Y156Y156-A158 PolarHBondContact O-N 2.85Å
159S43.5Very low62.9Low83 Ų83100.4 Ų100.458%0.5854%0.538SS*.  trans-144.696.415944.10000107.5A161S159-A161 PolarHBondContact O-N 3.42Å
160D40.2Very low60.3Low165 Ų165101.3 Ų101.388%0.88256%0.555SS**THydrogen-bonded Turntrans28.6-0.5144.5-53.7-27.3000123.2
161A41.7Very low57.7Low72 Ų72105.1 Ų105.160%0.59560%0.596SS**THydrogen-bonded Turntrans-114.5-17.8-172.300000114.8S159S159-A161 PolarHBondContact O-N 3.42Å
162W46.1Very low54.9Low178 Ų178109.7 Ų109.767%0.67463%0.627SS**THydrogen-bonded Turntrans-93.93.8-167.3-6793.4000115.2N148 I149N148-W162 HydrophobicContact CB-CH2 4.17Å; I149-W162 HydrophobicContact CD1-CE3 4.46Å
163R44.9Very low52.3Low172 Ų172109.6 Ų109.665%0.64965%0.645SS**THydrogen-bonded Turntrans-133.722.8177.5-77.8-162175160.36.2114.8G165R163-G165 PolarHBondContact O-N 2.97Å
164Q36.8Very low50.1Low181 Ų181114.2 Ų114.285%0.84666%0.664SS**  trans-75.179.7162.8-78.7-178.72.100109.3
165G37.2Very low48.3Very low64 Ų64119.2 Ų119.266%0.6668%0.683SS**SBendtrans-136.7111.7157.700000104.9R163 D167R163-G165 PolarHBondContact O-N 2.97Å; G165-D167 PolarHBondContact O-N 3.11Å
166E43.3Very low47Very low188 Ų188122.2 Ų122.288%0.87971%0.71SS**SBendtrans-54.4120.4-162.4-63.4161.4140.400113.5
167D37.9Very low46.5Very low163 Ų163120.4 Ų120.487%0.87270%0.704SS**  trans-176.866.6132.4-90.9-23.5000107.9G165 Q169G165-D167 PolarHBondContact O-N 3.11Å; D167-Q169 PolarHBondContact O-N 3.28Å; D167-Q169 VanDerWaalsContact O-N 3.13Å
168D42.1Very low47Very low158 Ų158120.4 Ų120.485%0.84570%0.696SS**  trans-7787.9170.9-83.8-31.3000109.9
169Q38Very low48.7Very low195 Ų195118.8 Ų118.891%0.91168%0.675SS**  trans-138.460.6153.1-77.6-165.35.800111.4D167D167-Q169 PolarHBondContact O-N 3.28Å; D167-Q169 VanDerWaalsContact O-N 3.13Å
170A36.1Very low50.9Low83 Ų83120.2 Ų120.269%0.68667%0.673SS**SBendtrans-171.7120.9148.700000108.5C172A170-C172 PolarHBondContact O-N 2.93Å
171G41.5Very low53.3Low91 Ų91115.5 Ų115.594%0.93865%0.646SS**  trans-50.1106.2177.900000112.1
172C36.2Very low55.8Low95 Ų95112.3 Ų112.364%0.64262%0.619SS**  trans-121.391.5179.1-171.80000108.6A170A170-C172 PolarHBondContact O-N 2.93Å
173G37.8Very low58Low69 Ų69103.9 Ų103.971%0.71159%0.587SS**  trans-53.1143163.300000110.2K175G173-K175 PolarHBondContact O-N 2.8Å; G173-K175 VanDerWaalsContact O-N 3.12Å
174K47.2Very low60.4Low196 Ų19696.7 Ų96.785%0.85256%0.563SS**SBendtrans20.182.4164.7-59.7177.5-176.51780113.1A176K174-A176 PolarHBondContact O-N 2.82Å
175K52.5Low63.3Low143 Ų14389.1 Ų89.162%0.62253%0.527SS*.  trans-57.4103.3177.2-166.1177.4-176.7179.60108.1G173G173-K175 PolarHBondContact O-N 2.8Å; G173-K175 VanDerWaalsContact O-N 3.12Å
176A63Low66.1Low77 Ų7786.1 Ų86.164%0.63650%0.495SS*.PPolyproline II helixtrans-58.4144.5177.800000108.1K174 S178K174-A176 PolarHBondContact O-N 2.82Å; A176-S178 PolarHBondContact O-N 3.07Å
177L79.3Confident68.7Low25 Ų2577.5 Ų77.513%0.13146%0.456CS..PPolyproline II helixtrans-58.4129.3169.1-87.7-176.3000107V154 E181 Y185 I276 R279V154-L177 HydrophobicContact CG1-CD1 3.66Å; V154-L177 HydrophobicContact CG1-CD2 3.63Å; V154-L177 HydrophobicContact CG1-CG 3.71Å; L177-E181 HydrophobicContact CD2-CB 3.8Å; L177-E181 HydrophobicContact CD2-CG 4.27Å; L177-Y185 HydrophobicContact CD1-CD2 4.12Å; L177-Y185 HydrophobicContact CD1-CE2 3.93Å; L177-Y185 HydrophobicContact CD2-CE2 3.75Å; L177-I276 HydrophobicContact CD1-CG2 3.84Å; L177-R279 VanDerWaalsContact N-NH2 3.16Å
178S87.8Confident71.5Confident48 Ų4871.1 Ų71.134%0.33642%0.422SS..PPolyproline II helixtrans-63.6159.1171.862.20000110.4A176 E180 E181 T182A176-S178 PolarHBondContact O-N 3.07Å; S178-E180 PolarHBondContact O-N 3.36Å; S178-E181 WeakPolarHBondContact CB-OE2 3.41Å; S178-E181 PolarHBondContact N-OE2 2.95Å; S178-E181 PolarHBondContact O-N 3.34Å; S178-E181 WeakPolarHBondContact OG-CB 3.34Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.22Å; S178-E181 PolarHBondContact OG-N 3.46Å; S178-E181 VanDerWaalsContact OG-N 3.1Å; S178-E181 PolarHBondContact OG-OE2 2.86Å; S178-T182 PolarHBondContact O-N 3.43Å; S178-T182 PolarHBondContact O-OG1 3.08Å
179M88.8Confident74.2Confident48 Ų4863.7 Ų63.724%0.23638%0.382CS..Hα-helixtrans-62.1-34172.8-167.658.667.900111.1T182 V183 V307 V313 L317 L349M179-T182 WeakPolarHBondContact O-CB 3.3Å; M179-T182 PolarHBondContact O-N 2.76Å; M179-V183 WeakPolarHBondContact O-CG2 3.48Å; M179-V183 PolarHBondContact O-N 3.18Å; M179-V307 HydrophobicContact CE-CG2 3.85Å; M179-V313 HydrophobicContact CG-CB 4.41Å; M179-V313 HydrophobicContact CG-CG1 3.59Å; M179-V313 HydrophobicContact SD-CG1 4.03Å; M179-L317 HydrophobicContact CE-CD1 4.39Å; M179-L317 HydrophobicContact SD-CD1 3.4Å; M179-L317 WeakPolarHBondContact SD-CD1 3.45Å; M179-L349 HydrophobicContact CB-CD1 4.39Å; M179-L349 HydrophobicContact CB-CD2 4.28Å; M179-L349 HydrophobicContact CG-CD1 3.99Å; M179-L349 HydrophobicContact CG-CD2 4.1Å
180E90.1Very high77.1Confident114 Ų11454.4 Ų54.453%0.53334%0.339SS..Hα-helixtrans-61.3-49.4175.7-169.7-172.7169.900111.8S178 T182 V183 C184S178-E180 PolarHBondContact O-N 3.36Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.58Å; E180-V183 PolarHBondContact O-N 3.27Å; E180-C184 WeakPolarHBondContact O-CB 3.44Å; E180-C184 PolarHBondContact O-N 2.8Å; E180-C184 PolarHBondContact O-SG 3.4Å
181E91.3Very high80.1Confident66 Ų6651.6 Ų51.631%0.30831%0.313SS..Hα-helixtrans-62-41.2176.2-72.216511800111.3L177 S178 V183 C184 Y185L177-E181 HydrophobicContact CD2-CB 3.8Å; L177-E181 HydrophobicContact CD2-CG 4.27Å; S178-E181 WeakPolarHBondContact CB-OE2 3.41Å; S178-E181 PolarHBondContact N-OE2 2.95Å; S178-E181 PolarHBondContact O-N 3.34Å; S178-E181 WeakPolarHBondContact OG-CB 3.34Å; S178-E181 VanDerWaalsContact OG-CG 3.23Å; S178-E181 WeakPolarHBondContact OG-CG 3.22Å; S178-E181 PolarHBondContact OG-N 3.46Å; S178-E181 VanDerWaalsContact OG-N 3.1Å; S178-E181 PolarHBondContact OG-OE2 2.86Å; E181-V183 PolarHBondContact O-N 3.38Å; E181-C184 PolarHBondContact O-N 3Å; E181-Y185 HydrophobicContact CB-CE2 4.23Å; E181-Y185 WeakPolarHBondContact O-CB 3.48Å; E181-Y185 WeakPolarHBondContact O-CD2 3.42Å; E181-Y185 VanDerWaalsContact O-CG 3.23Å; E181-Y185 PolarHBondContact O-N 3.31Å
182T93.1Very high82.8Confident5 Ų547.3 Ų47.33%0.03127%0.269CS..Hα-helixtrans-57.7-48.6176.9-640000111.3S178 M179 E180 S186 L273 I276 V277 L317S178-T182 PolarHBondContact O-N 3.43Å; S178-T182 PolarHBondContact O-OG1 3.08Å; M179-T182 WeakPolarHBondContact O-CB 3.3Å; M179-T182 PolarHBondContact O-N 2.76Å; E180-T182 VanDerWaalsContact C-N 3.31Å; E180-T182 PolarHBondContact O-N 2.58Å; T182-S186 WeakPolarHBondContact O-CB 3.4Å; T182-S186 PolarHBondContact O-N 3.15Å; T182-S186 PolarHBondContact O-OG 3.06Å; T182-L273 HydrophobicContact CG2-CD1 4.29Å; T182-I276 HydrophobicContact CG2-CB 4.45Å; T182-I276 HydrophobicContact CG2-CG2 3.69Å; T182-V277 HydrophobicContact CG2-CG2 3.88Å; T182-L317 HydrophobicContact CG2-CD1 4.45Å
183V94.1Very high85.7Confident0 Ų042.8 Ų42.80%024%0.238CC..Hα-helixtrans-67.7-40.5178.3173.40000111.1M179 E180 E181 S186 C187 V313 L345 K346 L349M179-V183 WeakPolarHBondContact O-CG2 3.48Å; M179-V183 PolarHBondContact O-N 3.18Å; E180-V183 PolarHBondContact O-N 3.27Å; E181-V183 PolarHBondContact O-N 3.38Å; V183-S186 WeakPolarHBondContact O-CB 3.5Å; V183-S186 PolarHBondContact O-N 3.42Å; V183-C187 PolarHBondContact O-N 3.09Å; V183-C187 PolarHBondContact O-SG 3.22Å; V183-C187 VanDerWaalsContact O-SG 3.36Å; V183-V313 HydrophobicContact CG2-CG1 4.41Å; V183-L345 HydrophobicContact CG1-CB 3.9Å; V183-L345 HydrophobicContact CG2-CB 4.24Å; V183-K346 HydrophobicContact CG1-CB 3.83Å; V183-L349 HydrophobicContact CB-CD1 4.08Å; V183-L349 HydrophobicContact CG2-CD1 3.72Å
184C95.1Very high88.6Confident22 Ų2240.5 Ų40.515%0.14921%0.213CC..Hα-helixtrans-60.6-50.7177.1-73.50000112.3E180 E181 S186 C187 D188 K346E180-C184 WeakPolarHBondContact O-CB 3.44Å; E180-C184 PolarHBondContact O-N 2.8Å; E180-C184 PolarHBondContact O-SG 3.4Å; E181-C184 PolarHBondContact O-N 3Å; C184-S186 VanDerWaalsContact C-N 3.26Å; C184-S186 PolarHBondContact O-N 3.36Å; C184-C187 WeakPolarHBondContact O-CB 3.27Å; C184-C187 PolarHBondContact O-N 3.28Å; C184-D188 PolarHBondContact O-N 2.96Å; C184-K346 WeakPolarHBondContact SG-CE 3.1Å; C184-K346 PolarHBondContact SG-NZ 3.18Å; C184-K346 VanDerWaalsContact SG-NZ 3.4Å
185Y96.6Very high91Very high22 Ų2233.1 Ų33.19%0.08618%0.181CC..Hα-helixtrans-60.6-38.9176.7-63.2-22.1000111.6L151 V154 L177 E181 D188 I189 I213 G217 C219L151-Y185 HydrophobicContact CD1-CD2 3.96Å; L151-Y185 HydrophobicContact CD1-CE2 4.46Å; V154-Y185 HydrophobicContact CG1-CE2 4.34Å; L177-Y185 HydrophobicContact CD1-CD2 4.12Å; L177-Y185 HydrophobicContact CD1-CE2 3.93Å; L177-Y185 HydrophobicContact CD2-CE2 3.75Å; E181-Y185 HydrophobicContact CB-CE2 4.23Å; E181-Y185 WeakPolarHBondContact O-CB 3.48Å; E181-Y185 WeakPolarHBondContact O-CD2 3.42Å; E181-Y185 VanDerWaalsContact O-CG 3.23Å; E181-Y185 PolarHBondContact O-N 3.31Å; Y185-D188 PolarHBondContact O-N 3.34Å; Y185-I189 WeakPolarHBondContact O-CD1 3.46Å; Y185-I189 WeakPolarHBondContact O-CG1 3.47Å; Y185-I189 PolarHBondContact O-N 3.18Å; Y185-I213 HydrophobicContact CE2-CD1 4.35Å; Y185-G217 WeakPolarHBondContact CE1-O 3.42Å; Y185-C219 WeakPolarHBondContact CD1-SG 3.49Å; Y185-C219 VanDerWaalsContact CG-SG 3.6Å
186S96.8Very high93.2Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-62.2-43.8175.6-58.60000112.4T182 V183 C184 M190 L273T182-S186 WeakPolarHBondContact O-CB 3.4Å; T182-S186 PolarHBondContact O-N 3.15Å; T182-S186 PolarHBondContact O-OG 3.06Å; V183-S186 WeakPolarHBondContact O-CB 3.5Å; V183-S186 PolarHBondContact O-N 3.42Å; C184-S186 VanDerWaalsContact C-N 3.26Å; C184-S186 PolarHBondContact O-N 3.36Å; S186-M190 VanDerWaalsContact O-CB 3.3Å; S186-M190 WeakPolarHBondContact O-CB 3.45Å; S186-M190 PolarHBondContact O-N 3.31Å; S186-L273 WeakPolarHBondContact OG-CD1 3.41Å
187C97.1Very high94.8Very high7 Ų724.3 Ų24.35%0.04713%0.129CC..Hα-helixtrans-62-44.6175.5-74.90000112V183 C184 M190 T191V183-C187 PolarHBondContact O-N 3.09Å; V183-C187 PolarHBondContact O-SG 3.22Å; V183-C187 VanDerWaalsContact O-SG 3.36Å; C184-C187 WeakPolarHBondContact O-CB 3.27Å; C184-C187 PolarHBondContact O-N 3.28Å; C187-M190 PolarHBondContact O-N 2.71Å; C187-T191 WeakPolarHBondContact O-CB 3.46Å; C187-T191 PolarHBondContact O-N 3.35Å; C187-T191 PolarHBondContact O-OG1 3.36Å
188D98.1Very high95.6Very high30 Ų3027 Ų2716%0.1615%0.15CC..Hα-helixtrans-63.3-48.2180-81.2-7.9000111.7N120 C184 Y185 M190 T191 G192 V218 C219N120-D188 VanDerWaalsContact CB-O 3.26Å; N120-D188 WeakPolarHBondContact CB-O 3.19Å; N120-D188 VanDerWaalsContact ND2-CB 3.28Å; N120-D188 WeakPolarHBondContact ND2-CB 3.34Å; N120-D188 PolarHBondContact ND2-OD1 3.27Å; C184-D188 PolarHBondContact O-N 2.96Å; Y185-D188 PolarHBondContact O-N 3.34Å; D188-M190 VanDerWaalsContact C-N 3.35Å; D188-M190 PolarHBondContact O-N 3.35Å; D188-T191 PolarHBondContact O-N 3.49Å; D188-G192 PolarHBondContact O-N 3.07Å; D188-V218 WeakPolarHBondContact OD2-CA 3.19Å; D188-C219 HydrophobicContact CB-CB 3.69Å; D188-C219 PolarHBondContact OD2-N 3.41Å
189I98.4Very high96Very high1 Ų129 Ų291%0.00515%0.153CC..Hα-helixtrans-60.4-46.9177-63.5162.6000109.9L151 Y185 T191 G192 L193 L206 V211 C219 I221 F269 I276L151-I189 HydrophobicContact CD2-CD1 3.96Å; Y185-I189 WeakPolarHBondContact O-CD1 3.46Å; Y185-I189 WeakPolarHBondContact O-CG1 3.47Å; Y185-I189 PolarHBondContact O-N 3.18Å; I189-T191 VanDerWaalsContact C-N 3.31Å; I189-T191 PolarHBondContact O-N 2.74Å; I189-G192 PolarHBondContact O-N 2.89Å; I189-L193 HydrophobicContact CG2-CD1 4.32Å; I189-L193 HydrophobicContact CG2-CG 4.49Å; I189-L193 WeakPolarHBondContact O-CG 3.37Å; I189-L193 PolarHBondContact O-N 3.1Å; I189-L206 HydrophobicContact CG2-CD1 4.2Å; I189-L206 HydrophobicContact CG2-CD2 4.12Å; I189-V211 HydrophobicContact CD1-CG1 4.06Å; I189-V211 HydrophobicContact CD1-CG2 4.2Å; I189-V211 HydrophobicContact CG1-CG1 3.92Å; I189-V211 HydrophobicContact CG1-CG2 4.22Å; I189-C219 HydrophobicContact CG1-CB 4.3Å; I189-I221 HydrophobicContact CG2-CD1 4.29Å; I189-F269 HydrophobicContact CB-CD2 4.33Å; I189-F269 HydrophobicContact CB-CE2 4.21Å; I189-F269 HydrophobicContact CG2-CD2 3.72Å; I189-F269 HydrophobicContact CG2-CE2 4.12Å; I189-I276 HydrophobicContact CD1-CD1 4.49Å
190M98.1Very high96.3Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-64.7-36179.8-169.259.766.100112.3S186 C187 D188 L193 A194 I266 F269 A335 L338 L339 L342S186-M190 VanDerWaalsContact O-CB 3.3Å; S186-M190 WeakPolarHBondContact O-CB 3.45Å; S186-M190 PolarHBondContact O-N 3.31Å; C187-M190 PolarHBondContact O-N 2.71Å; D188-M190 VanDerWaalsContact C-N 3.35Å; D188-M190 PolarHBondContact O-N 3.35Å; M190-L193 PolarHBondContact O-N 3.25Å; M190-A194 WeakPolarHBondContact O-CB 3.35Å; M190-A194 PolarHBondContact O-N 3.32Å; M190-I266 HydrophobicContact SD-CD1 4.21Å; M190-F269 HydrophobicContact CE-CD1 3.32Å; M190-F269 HydrophobicContact CE-CD2 4Å; M190-F269 HydrophobicContact CE-CE1 3.31Å; M190-F269 HydrophobicContact CE-CE2 3.98Å; M190-F269 HydrophobicContact CE-CG 3.68Å; M190-F269 HydrophobicContact CE-CZ 3.65Å; M190-A335 WeakPolarHBondContact SD-CA 3.33Å; M190-A335 HydrophobicContact SD-CB 3.59Å; M190-A335 VanDerWaalsContact SD-CB 3.59Å; M190-L338 HydrophobicContact CE-CB 4.14Å; M190-L338 HydrophobicContact CE-CD1 3.86Å; M190-L338 HydrophobicContact CG-CB 4.44Å; M190-L338 HydrophobicContact SD-CB 4.2Å; M190-L338 HydrophobicContact SD-CD1 4.38Å; M190-L339 HydrophobicContact CB-CD1 3.79Å; M190-L339 HydrophobicContact CG-CB 4.31Å; M190-L339 HydrophobicContact CG-CD1 3.75Å; M190-L342 HydrophobicContact CB-CD1 3.66Å; M190-L342 HydrophobicContact CE-CD1 4.15Å; M190-L342 HydrophobicContact CG-CD1 3.85Å
191T98.4Very high96.6Very high25 Ų2522.5 Ų22.515%0.15313%0.128CC..Hα-helixtrans-64.8-43.1175-54.20000110.5C187 D188 I189 A194 F195 L339C187-T191 WeakPolarHBondContact O-CB 3.46Å; C187-T191 PolarHBondContact O-N 3.35Å; C187-T191 PolarHBondContact O-OG1 3.36Å; D188-T191 PolarHBondContact O-N 3.49Å; I189-T191 VanDerWaalsContact C-N 3.31Å; I189-T191 PolarHBondContact O-N 2.74Å; T191-A194 PolarHBondContact O-N 2.78Å; T191-F195 PolarHBondContact O-N 2.8Å; T191-L339 WeakPolarHBondContact OG1-CD1 3.49Å
192G98.4Very high96.8Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-60.6-45.317400000113.1D188 I189 F195 L196D188-G192 PolarHBondContact O-N 3.07Å; I189-G192 PolarHBondContact O-N 2.89Å; G192-F195 PolarHBondContact O-N 3.06Å; G192-L196 WeakPolarHBondContact O-CG 3.35Å; G192-L196 PolarHBondContact O-N 3.08Å
193L98.5Very high97Very high0 Ų019.1 Ų19.10%011%0.112CC..Hα-helixtrans-63.6-45176.1-71.2178.1000112.2I189 M190 F195 L196 H197 L206 I221 D265 F269 A335I189-L193 HydrophobicContact CG2-CD1 4.32Å; I189-L193 HydrophobicContact CG2-CG 4.49Å; I189-L193 WeakPolarHBondContact O-CG 3.37Å; I189-L193 PolarHBondContact O-N 3.1Å; M190-L193 PolarHBondContact O-N 3.25Å; L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 3.44Å; L193-L196 PolarHBondContact O-N 3.4Å; L193-H197 WeakPolarHBondContact O-CB 3.38Å; L193-H197 PolarHBondContact O-CD2 3.42Å; L193-H197 PolarHBondContact O-N 2.91Å; L193-L206 HydrophobicContact CD1-CD2 3.8Å; L193-L206 HydrophobicContact CD2-CD2 4.27Å; L193-L206 HydrophobicContact CG-CD2 4.43Å; L193-I221 HydrophobicContact CD2-CD1 3.92Å; L193-I221 HydrophobicContact CG-CD1 3.92Å; L193-D265 HydrophobicContact CD1-CB 4.43Å; L193-D265 HydrophobicContact CD2-CB 3.94Å; L193-F269 HydrophobicContact CD1-CB 4.09Å; L193-A335 HydrophobicContact CB-CB 4.19Å
194A98.3Very high97.1Very high22 Ų2219.4 Ų19.418%0.18211%0.114CC..Hα-helixtrans-58-41.4177.300000111.5M190 T191 S198 A335M190-A194 WeakPolarHBondContact O-CB 3.35Å; M190-A194 PolarHBondContact O-N 3.32Å; T191-A194 PolarHBondContact O-N 2.78Å; A194-S198 WeakPolarHBondContact O-CB 3.48Å; A194-S198 PolarHBondContact O-N 3.21Å; A194-A335 HydrophobicContact CB-CB 3.84Å
195F98.3Very high97.1Very high41 Ų4118.7 Ų18.718%0.1811%0.109CC..Hα-helixtrans-62.6-51.5173.6172-102.7000112.1L116 H118 V121 T191 G192 L193 H197 S198 Q199L116-F195 HydrophobicContact CB-CE1 3.95Å; L116-F195 HydrophobicContact CB-CZ 3.99Å; L116-F195 HydrophobicContact CD1-CE1 4.02Å; L116-F195 HydrophobicContact CD1-CZ 4.31Å; L116-F195 HydrophobicContact CD2-CZ 4.36Å; L116-F195 HydrophobicContact CG-CE1 4.5Å; L116-F195 HydrophobicContact CG-CZ 4.46Å; H118-F195 HydrophobicContact CB-CD1 3.53Å; H118-F195 HydrophobicContact CB-CD2 4.35Å; H118-F195 HydrophobicContact CB-CE1 3.59Å; H118-F195 HydrophobicContact CB-CE2 4.4Å; H118-F195 HydrophobicContact CB-CG 3.93Å; H118-F195 HydrophobicContact CB-CZ 4.04Å; H118-F195 AromaticContact CD2-CD2 3.8Å; H118-F195 AromaticContact CD2-CG 3.61Å; H118-F195 AromaticContact CG-CD1 3.72Å; H118-F195 AromaticContact CG-CG 3.67Å; V121-F195 HydrophobicContact CG2-CD1 4.07Å; T191-F195 PolarHBondContact O-N 2.8Å; G192-F195 PolarHBondContact O-N 3.06Å; L193-F195 VanDerWaalsContact C-N 3.26Å; L193-F195 PolarHBondContact O-N 3.44Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.4Å; F195-S198 WeakPolarHBondContact O-CB 3.33Å; F195-S198 PolarHBondContact O-N 2.89Å; F195-S198 PolarHBondContact O-OG 2.84Å; F195-Q199 HydrophobicContact CE1-CG 4.49Å; F195-Q199 HydrophobicContact CE2-CG 4.21Å; F195-Q199 HydrophobicContact CZ-CG 4.12Å; F195-Q199 PolarHBondContact O-N 3.29Å
196L97.8Very high97.2Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-58-46179.2-70.3168000112V113 V121 G192 L193 S198 Q199 G200 I201 I221 F224V113-L196 HydrophobicContact CG1-CD2 3.59Å; V121-L196 HydrophobicContact CG1-CD2 4.34Å; V121-L196 HydrophobicContact CG2-CD1 4.21Å; V121-L196 HydrophobicContact CG2-CD2 4.19Å; V121-L196 HydrophobicContact CG2-CG 4.01Å; G192-L196 WeakPolarHBondContact O-CG 3.35Å; G192-L196 PolarHBondContact O-N 3.08Å; L193-L196 PolarHBondContact O-N 3.4Å; L196-S198 VanDerWaalsContact C-N 3.29Å; L196-S198 PolarHBondContact O-N 3.12Å; L196-Q199 CarbonylContact O-C 3.59Å; L196-Q199 WeakPolarHBondContact O-CA 3.47Å; L196-Q199 WeakPolarHBondContact O-CB 3.36Å; L196-Q199 PolarHBondContact O-N 3.31Å; L196-G200 PolarHBondContact O-N 3.3Å; L196-I201 CarbonylContact C-O 3.58Å; L196-I201 VanDerWaalsContact C-O 3.3Å; L196-I201 HydrophobicContact CD2-CG2 4.34Å; L196-I201 PolarHBondContact O-N 2.84Å; L196-I221 HydrophobicContact CD1-CD1 4.33Å; L196-F224 HydrophobicContact CD1-CE1 3.78Å; L196-F224 HydrophobicContact CD1-CZ 4.23Å; L196-F224 HydrophobicContact CD2-CE1 3.88Å; L196-F224 HydrophobicContact CD2-CZ 4.32Å
197H97.1Very high97.2Very high35 Ų3519.6 Ų19.616%0.16211%0.113CC..Hα-helixtrans-63.3-35.7179.3-64.2175000111.7L193 F195 Q199 G200 I201 A262 D265L193-H197 WeakPolarHBondContact O-CB 3.38Å; L193-H197 PolarHBondContact O-CD2 3.42Å; L193-H197 PolarHBondContact O-N 2.91Å; F195-H197 VanDerWaalsContact C-N 3.34Å; F195-H197 PolarHBondContact O-N 3.4Å; H197-Q199 PolarHBondContact O-N 3.5Å; H197-G200 PolarHBondContact O-N 2.88Å; H197-I201 PolarHBondContact CD2-O 3.48Å; H197-A262 HydrophobicContact CB-CB 4.28Å; H197-A262 PolarHBondContact CE1-O 2.89Å; H197-D265 IonicContact CD2-OD2 2.88Å; H197-D265 IonicContact CE1-OD2 3.44Å; H197-D265 IonicContact NE2-OD2 2.77Å; H197-D265 PolarHBondContact NE2-OD2 2.81Å
198S96.2Very high97.2Very high82 Ų8219.3 Ų19.357%0.57311%0.111SC*.Hα-helixtrans-65.3-24.1173.780.30000113.7A194 F195 L196 G200A194-S198 WeakPolarHBondContact O-CB 3.48Å; A194-S198 PolarHBondContact O-N 3.21Å; F195-S198 WeakPolarHBondContact O-CB 3.33Å; F195-S198 PolarHBondContact O-N 2.89Å; F195-S198 PolarHBondContact O-OG 2.84Å; L196-S198 VanDerWaalsContact C-N 3.29Å; L196-S198 PolarHBondContact O-N 3.12Å; S198-G200 VanDerWaalsContact C-N 3.3Å
199Q95.8Very high97Very high89 Ų8919.7 Ų19.742%0.41612%0.118SC..THydrogen-bonded Turntrans-90.76.6174.6-58.4-57.3-64.600112.4L116 F195 L196 H197 I201L116-Q199 HydrophobicContact CD1-CB 4.27Å; L116-Q199 HydrophobicContact CD1-CG 4.09Å; L116-Q199 HydrophobicContact CD2-CG 4.21Å; F195-Q199 HydrophobicContact CE1-CG 4.49Å; F195-Q199 HydrophobicContact CE2-CG 4.21Å; F195-Q199 HydrophobicContact CZ-CG 4.12Å; F195-Q199 PolarHBondContact O-N 3.29Å; L196-Q199 CarbonylContact O-C 3.59Å; L196-Q199 WeakPolarHBondContact O-CA 3.47Å; L196-Q199 WeakPolarHBondContact O-CB 3.36Å; L196-Q199 PolarHBondContact O-N 3.31Å; H197-Q199 PolarHBondContact O-N 3.5Å; Q199-I201 VanDerWaalsContact C-N 3.29Å; Q199-I201 HydrophobicContact CB-CD1 4.12Å; Q199-I201 HydrophobicContact CB-CG1 4.39Å; Q199-I201 PolarHBondContact O-N 2.95Å
200G94.9Very high97Very high22 Ų2220 Ų2023%0.22712%0.12CC..THydrogen-bonded Turntrans70.121.7-176.100000113.6L196 H197 S198 K229 L230L196-G200 PolarHBondContact O-N 3.3Å; H197-G200 PolarHBondContact O-N 2.88Å; S198-G200 VanDerWaalsContact C-N 3.3Å; G200-K229 CarbonylContact O-C 3.54Å; G200-K229 WeakPolarHBondContact O-CA 3.47Å; G200-L230 PolarHBondContact O-N 2.97Å
201I95.9Very high96.9Very high3 Ų320 Ų202%0.01512%0.12CC..EExtended strand (participates in β ladder)trans-107.3130.1-178.1-61.1166.1000109.7N112 V113 L116 L196 H197 Q199 Q228 K229N112-I201 HydrophobicContact CB-CD1 4.47Å; N112-I201 HydrophobicContact CB-CG2 4.39Å; N112-I201 WeakPolarHBondContact O-CD1 3.36Å; V113-I201 HydrophobicContact CG1-CD1 4.2Å; V113-I201 HydrophobicContact CG1-CG2 4.2Å; L116-I201 HydrophobicContact CD1-CD1 3.55Å; L196-I201 CarbonylContact C-O 3.58Å; L196-I201 VanDerWaalsContact C-O 3.3Å; L196-I201 HydrophobicContact CD2-CG2 4.34Å; L196-I201 PolarHBondContact O-N 2.84Å; H197-I201 PolarHBondContact CD2-O 3.48Å; Q199-I201 VanDerWaalsContact C-N 3.29Å; Q199-I201 HydrophobicContact CB-CD1 4.12Å; Q199-I201 HydrophobicContact CB-CG1 4.39Å; Q199-I201 PolarHBondContact O-N 2.95Å; I201-Q228 WeakPolarHBondContact CA-O 3.28Å; I201-K229 HydrophobicContact CG1-CG 4.45Å
202V96.6Very high96.9Very high0 Ų021.6 Ų21.60%013%0.125CC..EExtended strand (participates in β ladder)trans-110.2134.6173.8-166.30000109L204 S227 Q228 L230 V260 A262 D265V202-L204 HydrophobicContact CB-CD2 4.2Å; V202-L204 HydrophobicContact CB-CG 4.23Å; V202-L204 HydrophobicContact CG1-CD2 3.43Å; V202-L204 VanDerWaalsContact CG1-CD2 3.43Å; V202-L204 HydrophobicContact CG1-CG 3.88Å; V202-S227 CarbonylContact O-C 3.46Å; V202-S227 WeakPolarHBondContact O-CA 3.41Å; V202-S227 VanDerWaalsContact O-CB 3.26Å; V202-S227 WeakPolarHBondContact O-CB 3.36Å; V202-Q228 PolarHBondContact N-O 3.05Å; V202-Q228 PolarHBondContact O-N 2.79Å; V202-L230 HydrophobicContact CG2-CD1 3.62Å; V202-L230 HydrophobicContact CG2-CD2 3.89Å; V202-L230 HydrophobicContact CG2-CG 3.69Å; V202-V260 HydrophobicContact CG1-CG1 4.47Å; V202-A262 HydrophobicContact CG2-CB 4.32Å; V202-D265 VanDerWaalsContact CG1-OD2 3.24Å; V202-D265 WeakPolarHBondContact CG1-OD2 3.43Å
203H97.1Very high96.7Very high0 Ų022.1 Ų22.10%013%0.128CC..  trans-78-44.8-172.9-173.7-78.6000113.3D205 L206 I221 G222 D223 F224 C226 S227 D265H203-D205 PolarHBondContact CE1-O 2.99Å; H203-D205 VanDerWaalsContact CE1-O 3.26Å; H203-D205 PolarHBondContact ND1-N 3.42Å; H203-D205 PolarHBondContact O-N 3.32Å; H203-L206 PolarHBondContact ND1-N 3.19Å; H203-L206 VanDerWaalsContact ND1-N 3.13Å; H203-I221 WeakPolarHBondContact CD2-CG2 3.42Å; H203-I221 WeakPolarHBondContact NE2-CG2 3.23Å; H203-G222 PolarHBondContact NE2-O 3.22Å; H203-D223 PolarHBondContact CE1-O 2.98Å; H203-D223 PolarHBondContact NE2-O 3.4Å; H203-F224 AromaticContact CD2-CD1 3.67Å; H203-F224 AromaticContact CD2-CE1 3.44Å; H203-F224 VanDerWaalsContact CD2-CE1 3.44Å; H203-F224 WeakPolarHBondContact CD2-CE1 3.26Å; H203-C226 CarbonylContact O-C 3.5Å; H203-S227 WeakPolarHBondContact O-CA 3.35Å; H203-S227 PolarHBondContact O-N 2.83Å; H203-D265 PolarHBondContact N-OD1 3.27Å; H203-D265 PolarHBondContact N-OD2 3.35Å
204L95.9Very high96.5Very high7 Ų723.4 Ų23.44%0.03714%0.135CC..SBendtrans64.6-8.5175.5-53.6177.7000117.7V202 C226 Q228 L254 V260 A264 D265V202-L204 HydrophobicContact CB-CD2 4.2Å; V202-L204 HydrophobicContact CB-CG 4.23Å; V202-L204 HydrophobicContact CG1-CD2 3.43Å; V202-L204 VanDerWaalsContact CG1-CD2 3.43Å; V202-L204 HydrophobicContact CG1-CG 3.88Å; L204-C226 HydrophobicContact CB-CB 4.39Å; L204-C226 WeakPolarHBondContact CD1-O 3.33Å; L204-Q228 HydrophobicContact CD1-CB 3.86Å; L204-L254 HydrophobicContact CD2-CD1 3.89Å; L204-V260 HydrophobicContact CD1-CG1 4.04Å; L204-V260 HydrophobicContact CD2-CG1 3.71Å; L204-V260 HydrophobicContact CG-CG1 4.45Å; L204-A264 HydrophobicContact CD2-CB 4.31Å; L204-D265 PolarHBondContact N-OD1 3.26Å
205D95.7Very high96Very high7 Ų730.8 Ų30.84%0.03717%0.166CC..  trans-131.942.4169.6-164.134.1000113.1H203 K207 N210 C226 G245 T246H203-D205 PolarHBondContact CE1-O 2.99Å; H203-D205 VanDerWaalsContact CE1-O 3.26Å; H203-D205 PolarHBondContact ND1-N 3.42Å; H203-D205 PolarHBondContact O-N 3.32Å; D205-K207 PolarHBondContact O-N 2.77Å; D205-K207 IonicContact OD1-NZ 2.77Å; D205-K207 PolarHBondContact OD1-NZ 3.23Å; D205-K207 WeakPolarHBondContact OD2-CE 3.26Å; D205-K207 IonicContact OD2-NZ 2.78Å; D205-K207 PolarHBondContact OD2-NZ 2.77Å; D205-N210 PolarHBondContact O-ND2 2.91Å; D205-N210 PolarHBondContact OD2-ND2 2.97Å; D205-C226 HydrophobicContact CB-CB 3.91Å; D205-G245 WeakPolarHBondContact OD1-CA 3.38Å; D205-T246 VanDerWaalsContact OD1-CB 3.29Å; D205-T246 WeakPolarHBondContact OD1-CB 3.48Å; D205-T246 PolarHBondContact OD1-N 3.09Å; D205-T246 PolarHBondContact OD1-OG1 3.28Å
206L97.9Very high95.6Very high0 Ų037 Ų370%020%0.195CC..  trans-72.6122.3177.9-177.374.8000110I189 L193 H203 V211 I221 H249 F269I189-L206 HydrophobicContact CG2-CD1 4.2Å; I189-L206 HydrophobicContact CG2-CD2 4.12Å; L193-L206 HydrophobicContact CD1-CD2 3.8Å; L193-L206 HydrophobicContact CD2-CD2 4.27Å; L193-L206 HydrophobicContact CG-CD2 4.43Å; H203-L206 PolarHBondContact ND1-N 3.19Å; H203-L206 VanDerWaalsContact ND1-N 3.13Å; L206-V211 HydrophobicContact CD1-CG2 3.98Å; L206-I221 HydrophobicContact CD1-CD1 4.38Å; L206-I221 HydrophobicContact CD1-CG1 4.35Å; L206-I221 HydrophobicContact CD1-CG2 4.22Å; L206-H249 PolarHBondContact O-CD2 2.93Å; L206-F269 HydrophobicContact CD2-CB 3.89Å
207K96.8Very high95.2Very high40 Ų4038.6 Ų38.617%0.17421%0.212CC..SBendtrans-159.9164.8179.563.7-171.3170.2-157.50109.8D205 A209 N210 V211 T246D205-K207 PolarHBondContact O-N 2.77Å; D205-K207 IonicContact OD1-NZ 2.77Å; D205-K207 PolarHBondContact OD1-NZ 3.23Å; D205-K207 WeakPolarHBondContact OD2-CE 3.26Å; D205-K207 IonicContact OD2-NZ 2.78Å; D205-K207 PolarHBondContact OD2-NZ 2.77Å; K207-A209 HydrophobicContact CD-CB 4.35Å; K207-A209 HydrophobicContact CG-CB 4.2Å; K207-A209 PolarHBondContact O-N 2.8Å; K207-N210 VanDerWaalsContact CE-CG 3.44Å; K207-N210 WeakPolarHBondContact CE-ND2 3.5Å; K207-N210 WeakPolarHBondContact CE-OD1 3.45Å; K207-N210 HydrophobicContact CG-CB 4.12Å; K207-N210 PolarHBondContact O-N 3.02Å; K207-V211 PolarHBondContact O-N 3.4Å; K207-T246 HydrophobicContact CD-CG2 4.28Å; K207-T246 WeakPolarHBondContact CD-OG1 3.49Å; K207-T246 PolarHBondContact NZ-OG1 3.44Å
208P97.1Very high95.1Very high2 Ų239.3 Ų39.31%0.01322%0.219CC..G310 helixtrans-53.3-32.1178.7-28.734.3000115.3L151 H152 I155 N210 V211 T272 Q275L151-P208 HydrophobicContact CB-CB 4.21Å; L151-P208 WeakPolarHBondContact CB-O 3.34Å; L151-P208 HydrophobicContact CD2-CB 4.39Å; L151-P208 HydrophobicContact CG-CB 4.16Å; L151-P208 PolarHBondContact N-O 2.79Å; H152-P208 HydrophobicContact CB-CB 3.9Å; H152-P208 PolarHBondContact N-O 3.43Å; I155-P208 HydrophobicContact CD1-CB 3.89Å; I155-P208 HydrophobicContact CD1-CG 3.76Å; P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 3.37Å; P208-V211 PolarHBondContact O-N 2.66Å; P208-T272 HydrophobicContact CG-CG2 4.09Å; P208-Q275 VanDerWaalsContact CD-OE1 3.3Å; P208-Q275 HydrophobicContact CG-CB 4.45Å
209A94.8Very high95.2Very high37 Ų3735.4 Ų35.431%0.30619%0.191SC..G310 helixtrans-71.3-21.1-179.500000113.4H152 K207H152-A209 HydrophobicContact CB-CB 4.13Å; K207-A209 HydrophobicContact CD-CB 4.35Å; K207-A209 HydrophobicContact CG-CB 4.2Å; K207-A209 PolarHBondContact O-N 2.8Å
210N96.7Very high95.3Very high9 Ų932.5 Ų32.55%0.04818%0.177CC..G310 helixtrans-103.37.3-177.6-69.910.5000112.1D205 K207 P208 G222 D223D205-N210 PolarHBondContact O-ND2 2.91Å; D205-N210 PolarHBondContact OD2-ND2 2.97Å; K207-N210 VanDerWaalsContact CE-CG 3.44Å; K207-N210 WeakPolarHBondContact CE-ND2 3.5Å; K207-N210 WeakPolarHBondContact CE-OD1 3.45Å; K207-N210 HydrophobicContact CG-CB 4.12Å; K207-N210 PolarHBondContact O-N 3.02Å; P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 3.37Å; N210-G222 PolarHBondContact O-N 3.33Å; N210-D223 HydrophobicContact CB-CB 4.33Å; N210-D223 PolarHBondContact ND2-OD2 2.78Å
211V98Very high95.5Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-110.3114.2172.6179.60000108.2T150 L151 I189 L206 K207 P208 C219T150-V211 CarbonylContact C-O 3.56Å; T150-V211 VanDerWaalsContact CA-O 3.22Å; T150-V211 WeakPolarHBondContact CA-O 3.32Å; T150-V211 WeakPolarHBondContact CB-O 3.28Å; L151-V211 HydrophobicContact CB-CB 3.94Å; L151-V211 HydrophobicContact CB-CG1 4.15Å; L151-V211 HydrophobicContact CD2-CB 4.29Å; L151-V211 HydrophobicContact CD2-CG1 4.34Å; L151-V211 PolarHBondContact N-O 3.48Å; I189-V211 HydrophobicContact CD1-CG1 4.06Å; I189-V211 HydrophobicContact CD1-CG2 4.2Å; I189-V211 HydrophobicContact CG1-CG1 3.92Å; I189-V211 HydrophobicContact CG1-CG2 4.22Å; L206-V211 HydrophobicContact CD1-CG2 3.98Å; K207-V211 PolarHBondContact O-N 3.4Å; P208-V211 PolarHBondContact O-N 2.66Å; V211-C219 HydrophobicContact CG1-CB 3.78Å
212F96.6Very high95.5Very high57 Ų5731.3 Ų31.325%0.2517%0.166CC..EExtended strand (participates in β ladder)trans-94.3147.9-179.8-62.8-93.4000110.5V122 V146 T150 C219 K220V122-F212 HydrophobicContact CG2-CD2 4.13Å; V146-F212 HydrophobicContact CB-CB 3.82Å; V146-F212 HydrophobicContact CB-CG 4.41Å; V146-F212 HydrophobicContact CG1-CB 3.58Å; V146-F212 HydrophobicContact CG2-CB 4.28Å; T150-F212 HydrophobicContact CG2-CD1 3.73Å; T150-F212 HydrophobicContact CG2-CE1 3.74Å; T150-F212 HydrophobicContact CG2-CG 4.43Å; T150-F212 HydrophobicContact CG2-CZ 4.46Å; F212-C219 CarbonylContact O-C 3.57Å; F212-C219 VanDerWaalsContact O-CA 3.31Å; F212-C219 WeakPolarHBondContact O-CA 3.17Å; F212-K220 PolarHBondContact N-O 3.23Å; F212-K220 PolarHBondContact O-N 3.42Å
213I95.1Very high95.4Very high12 Ų1233.4 Ų33.46%0.06218%0.177CC..EExtended strand (participates in β ladder)trans-114.7122.1178.3-60.8168.4000107.8I149 L151 V154 Y185I149-I213 HydrophobicContact CG2-CB 4.36Å; I149-I213 HydrophobicContact CG2-CD1 4.36Å; I149-I213 PolarHBondContact O-N 2.98Å; L151-I213 HydrophobicContact CD1-CD1 4.41Å; V154-I213 HydrophobicContact CB-CD1 4.22Å; V154-I213 HydrophobicContact CG2-CD1 3.43Å; V154-I213 VanDerWaalsContact CG2-CD1 3.43Å; Y185-I213 HydrophobicContact CE2-CD1 4.35Å
214T93.8Very high95.2Very high26 Ų2633.6 Ų33.616%0.1618%0.178CC..  trans-68.9163.6174.860.90000110.8V146 H216 G217 V218 K220V146-T214 HydrophobicContact CG1-CG2 3.62Å; T214-H216 PolarHBondContact O-N 3.14Å; T214-H216 VanDerWaalsContact O-N 3.08Å; T214-G217 PolarHBondContact O-N 2.77Å; T214-V218 HydrophobicContact CG2-CB 4.45Å; T214-V218 PolarHBondContact N-O 2.92Å; T214-V218 WeakPolarHBondContact OG1-CB 3.37Å; T214-V218 PolarHBondContact OG1-N 3.29Å; T214-V218 PolarHBondContact OG1-O 3.46Å; T214-V218 VanDerWaalsContact OG1-O 3.12Å; T214-K220 HydrophobicContact CG2-CD 4.2Å; T214-K220 HydrophobicContact CG2-CG 4.34Å
215E88.5Confident95Very high178 Ų17833.4 Ų33.483%0.83218%0.178SC*.THydrogen-bonded Turntrans-57.6-22.8173-63.9177.6177.300113.2G217E215-G217 VanDerWaalsContact C-N 3.34Å
216H89.6Confident94.8Very high170 Ų17033.9 Ų33.979%0.78718%0.181SC*.THydrogen-bonded Turntrans-90.39.2176.4-55.9-55.1000113.7T214 V218T214-H216 PolarHBondContact O-N 3.14Å; T214-H216 VanDerWaalsContact O-N 3.08Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.43Å
217G89.8Confident94.6Very high34 Ų3434.2 Ų34.235%0.35118%0.184SC..SBendtrans75.712.6178.700000115.1Y185 T214 E215Y185-G217 WeakPolarHBondContact CE1-O 3.42Å; T214-G217 PolarHBondContact O-N 2.77Å; E215-G217 VanDerWaalsContact C-N 3.34Å
218V95.3Very high94.4Very high50 Ų5033.7 Ų33.730%0.30318%0.182SC..  trans-88.3133.5176.5-179.90000110.5D188 T214 H216D188-V218 WeakPolarHBondContact OD2-CA 3.19Å; T214-V218 HydrophobicContact CG2-CB 4.45Å; T214-V218 PolarHBondContact N-O 2.92Å; T214-V218 WeakPolarHBondContact OG1-CB 3.37Å; T214-V218 PolarHBondContact OG1-N 3.29Å; T214-V218 PolarHBondContact OG1-O 3.46Å; T214-V218 VanDerWaalsContact OG1-O 3.12Å; H216-V218 VanDerWaalsContact C-N 3.31Å; H216-V218 PolarHBondContact O-N 3.43Å
219C97.7Very high94.2Very high0 Ų039.5 Ų39.50%021%0.207CC..EExtended strand (participates in β ladder)trans-82.4138.4175.3-680000112.7N120 Y185 D188 I189 V211 F212N120-C219 WeakPolarHBondContact CA-O 3.42Å; N120-C219 WeakPolarHBondContact CB-O 3.46Å; N120-C219 PolarHBondContact ND2-O 3.01Å; Y185-C219 WeakPolarHBondContact CD1-SG 3.49Å; Y185-C219 VanDerWaalsContact CG-SG 3.6Å; D188-C219 HydrophobicContact CB-CB 3.69Å; D188-C219 PolarHBondContact OD2-N 3.41Å; I189-C219 HydrophobicContact CG1-CB 4.3Å; V211-C219 HydrophobicContact CG1-CB 3.78Å; F212-C219 CarbonylContact O-C 3.57Å; F212-C219 VanDerWaalsContact O-CA 3.31Å; F212-C219 WeakPolarHBondContact O-CA 3.17Å
220K98.4Very high93.9Very high28 Ų2840.1 Ų40.112%0.12221%0.205CC..EExtended strand (participates in β ladder)trans-127.5129.4172.3-67.3-169.2171.3-156.90111.7A119 N120 V122 E144 V146 F212 T214A119-K220 WeakPolarHBondContact O-CE 3.39Å; A119-K220 WeakPolarHBondContact O-CG 3.49Å; N120-K220 WeakPolarHBondContact O-CA 3.43Å; V122-K220 HydrophobicContact CG2-CB 4.03Å; E144-K220 IonicContact OE1-NZ 2.74Å; E144-K220 PolarHBondContact OE1-NZ 3.44Å; E144-K220 IonicContact OE2-NZ 2.69Å; E144-K220 PolarHBondContact OE2-NZ 2.8Å; V146-K220 HydrophobicContact CG1-CB 4.4Å; V146-K220 HydrophobicContact CG1-CD 4.15Å; V146-K220 HydrophobicContact CG1-CG 4.47Å; V146-K220 HydrophobicContact CG2-CB 4.42Å; V146-K220 HydrophobicContact CG2-CD 3.86Å; F212-K220 PolarHBondContact N-O 3.23Å; F212-K220 PolarHBondContact O-N 3.42Å; T214-K220 HydrophobicContact CG2-CD 4.2Å; T214-K220 HydrophobicContact CG2-CG 4.34Å
221I98.5Very high92.9Very high1 Ų144.7 Ų44.71%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-78128.5174.3-56.8172.9000109.3N120 V122 I189 L193 L196 H203 L206 F224N120-I221 PolarHBondContact O-N 3.32Å; V122-I221 WeakPolarHBondContact CG2-O 3.46Å; V122-I221 PolarHBondContact N-O 3.19Å; I189-I221 HydrophobicContact CG2-CD1 4.29Å; L193-I221 HydrophobicContact CD2-CD1 3.92Å; L193-I221 HydrophobicContact CG-CD1 3.92Å; L196-I221 HydrophobicContact CD1-CD1 4.33Å; H203-I221 WeakPolarHBondContact CD2-CG2 3.42Å; H203-I221 WeakPolarHBondContact NE2-CG2 3.23Å; L206-I221 HydrophobicContact CD1-CD1 4.38Å; L206-I221 HydrophobicContact CD1-CG1 4.35Å; L206-I221 HydrophobicContact CD1-CG2 4.22Å; I221-F224 HydrophobicContact CG2-CE1 4.42Å; I221-F224 HydrophobicContact CG2-CZ 4.06Å
222G96Very high90.9Very high0 Ų052.7 Ų52.70%027%0.269CS..  trans-136.4-176.5176.900000112.8H203 N210H203-G222 PolarHBondContact NE2-O 3.22Å; N210-G222 PolarHBondContact O-N 3.33Å
223D93.3Very high88.9Confident44 Ų4452.5 Ų52.524%0.23528%0.283CS..  trans60.777-176.6-164.224.8000113.3K91 E110 H203 N210 G225K91-D223 IonicContact NZ-OD1 3.42Å; K91-D223 PolarHBondContact NZ-OD1 3.38Å; E110-D223 VanDerWaalsContact OE1-OD1 3.11Å; H203-D223 PolarHBondContact CE1-O 2.98Å; H203-D223 PolarHBondContact NE2-O 3.4Å; N210-D223 HydrophobicContact CB-CB 4.33Å; N210-D223 PolarHBondContact ND2-OD2 2.78Å; D223-G225 VanDerWaalsContact C-N 3.27Å; D223-G225 PolarHBondContact O-N 3.22Å
224F94.2Very high86.3Confident3 Ų360.2 Ų60.21%0.01332%0.323CS..  trans-91.215.3-176.1-68.3-86.3000112.9A109 E110 V113 V121 L196 H203 I221 C226 S227A109-F224 CarbonylContact C-O 3.44Å; A109-F224 WeakPolarHBondContact CB-O 3.4Å; E110-F224 PolarHBondContact N-O 3.2Å; E110-F224 PolarHBondContact OE1-N 3.5Å; E110-F224 WeakPolarHBondContact OE2-CA 3.37Å; E110-F224 WeakPolarHBondContact OE2-CB 3.47Å; E110-F224 PolarHBondContact OE2-N 3.15Å; V113-F224 HydrophobicContact CB-CD1 4.38Å; V113-F224 HydrophobicContact CB-CD2 4.41Å; V113-F224 HydrophobicContact CB-CE1 4.44Å; V113-F224 HydrophobicContact CB-CE2 4.46Å; V113-F224 HydrophobicContact CB-CG 4.37Å; V113-F224 HydrophobicContact CG1-CD1 3.35Å; V113-F224 HydrophobicContact CG1-CD2 4.17Å; V113-F224 HydrophobicContact CG1-CE1 3.37Å; V113-F224 HydrophobicContact CG1-CE2 4.18Å; V113-F224 HydrophobicContact CG1-CG 3.78Å; V113-F224 HydrophobicContact CG1-CZ 3.83Å; V113-F224 HydrophobicContact CG2-CB 4.21Å; V113-F224 HydrophobicContact CG2-CD1 4.19Å; V113-F224 HydrophobicContact CG2-CD2 3.51Å; V113-F224 HydrophobicContact CG2-CE2 3.87Å; V113-F224 HydrophobicContact CG2-CG 3.7Å; V113-F224 HydrophobicContact CG2-CZ 4.38Å; V121-F224 HydrophobicContact CG1-CE2 4.1Å; V121-F224 HydrophobicContact CG1-CZ 3.71Å; L196-F224 HydrophobicContact CD1-CE1 3.78Å; L196-F224 HydrophobicContact CD1-CZ 4.23Å; L196-F224 HydrophobicContact CD2-CE1 3.88Å; L196-F224 HydrophobicContact CD2-CZ 4.32Å; H203-F224 AromaticContact CD2-CD1 3.67Å; H203-F224 AromaticContact CD2-CE1 3.44Å; H203-F224 VanDerWaalsContact CD2-CE1 3.44Å; H203-F224 WeakPolarHBondContact CD2-CE1 3.26Å; I221-F224 HydrophobicContact CG2-CE1 4.42Å; I221-F224 HydrophobicContact CG2-CZ 4.06Å; F224-C226 PolarHBondContact O-N 3.43Å; F224-S227 VanDerWaalsContact O-CB 3.24Å; F224-S227 WeakPolarHBondContact O-CB 3.42Å; F224-S227 PolarHBondContact O-N 3.25Å; F224-S227 PolarHBondContact O-OG 3.48Å
225G90.8Very high83.9Confident4 Ų462.5 Ų62.54%0.04134%0.341CS..THydrogen-bonded Turntrans-66.3-8.3-175.900000115.3S106 E110 D223S106-G225 VanDerWaalsContact CA-O 3.29Å; S106-G225 WeakPolarHBondContact CA-O 3.33Å; S106-G225 WeakPolarHBondContact CB-O 3.24Å; S106-G225 WeakPolarHBondContact OG-CA 3.16Å; S106-G225 PolarHBondContact OG-O 2.96Å; E110-G225 WeakPolarHBondContact OE1-CA 3.23Å; E110-G225 PolarHBondContact OE1-N 3.08Å; D223-G225 VanDerWaalsContact C-N 3.27Å; D223-G225 PolarHBondContact O-N 3.22Å
226C91.6Very high81.7Confident16 Ų1663 Ų6311%0.10834%0.343CS..THydrogen-bonded Turntrans-111.4-1.1169.6-60.90000113H203 L204 D205 F224 G245H203-C226 CarbonylContact O-C 3.5Å; L204-C226 HydrophobicContact CB-CB 4.39Å; L204-C226 WeakPolarHBondContact CD1-O 3.33Å; D205-C226 HydrophobicContact CB-CB 3.91Å; F224-C226 PolarHBondContact O-N 3.43Å; C226-G245 PolarHBondContact SG-N 3.05Å
227S93.9Very high79.4Confident7 Ų759.1 Ų59.15%0.04934%0.335CS..  trans-69.7157.8-17277.10000112.5A109 N112 V202 H203 F224A109-S227 VanDerWaalsContact CB-O 3.28Å; A109-S227 WeakPolarHBondContact CB-O 3.48Å; A109-S227 PolarHBondContact O-OG 3.3Å; N112-S227 PolarHBondContact ND2-O 3.36Å; N112-S227 VanDerWaalsContact ND2-O 3.12Å; N112-S227 PolarHBondContact ND2-OG 2.83Å; V202-S227 CarbonylContact O-C 3.46Å; V202-S227 WeakPolarHBondContact O-CA 3.41Å; V202-S227 VanDerWaalsContact O-CB 3.26Å; V202-S227 WeakPolarHBondContact O-CB 3.36Å; H203-S227 WeakPolarHBondContact O-CA 3.35Å; H203-S227 PolarHBondContact O-N 2.83Å; F224-S227 VanDerWaalsContact O-CB 3.24Å; F224-S227 WeakPolarHBondContact O-CB 3.42Å; F224-S227 PolarHBondContact O-N 3.25Å; F224-S227 PolarHBondContact O-OG 3.48Å
228Q92.9Very high77.3Confident30 Ų3062.1 Ų62.114%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-140.1138.9-179-173178.6-15.900110I201 V202 L204I201-Q228 WeakPolarHBondContact CA-O 3.28Å; V202-Q228 PolarHBondContact N-O 3.05Å; V202-Q228 PolarHBondContact O-N 2.79Å; L204-Q228 HydrophobicContact CD1-CB 3.86Å
229K91.9Very high75.2Confident124 Ų12464.1 Ų64.154%0.53935%0.354SS..EExtended strand (participates in β ladder)trans-88.6123168.6-165173-176.41790108.9G200 I201G200-K229 CarbonylContact O-C 3.54Å; G200-K229 WeakPolarHBondContact O-CA 3.47Å; I201-K229 HydrophobicContact CG1-CG 4.45Å
230L88.7Confident72.9Confident49 Ų4968.5 Ų68.526%0.25738%0.38SS..PPolyproline II helixtrans-73124.7172.9-57.2179.5000107.8G200 V202 V260G200-L230 PolarHBondContact O-N 2.97Å; V202-L230 HydrophobicContact CG2-CD1 3.62Å; V202-L230 HydrophobicContact CG2-CD2 3.89Å; V202-L230 HydrophobicContact CG2-CG 3.69Å; L230-V260 HydrophobicContact CD2-CG1 4.31Å
231E76.7Confident70.7Confident105 Ų10568.6 Ų68.649%0.49139%0.385SS..PPolyproline II helixtrans-82.5130.8174-67.4-175.7-177.600110G233 S235E231-G233 VanDerWaalsContact C-N 3.3Å; E231-G233 PolarHBondContact O-N 3.17Å; E231-S235 WeakPolarHBondContact OE2-CB 3.49Å; E231-S235 PolarHBondContact OE2-OG 3.19Å
232D56.7Low68.6Low169 Ų16974.5 Ų74.590%0.90441%0.412SS*.SBendtrans-77.481.3172.5-70.4-36000109.7
233G53Low66.8Low53 Ų5382.8 Ų82.855%0.54645%0.451SS..SBendtrans77.6151.8170.400000115.4E231E231-G233 VanDerWaalsContact C-N 3.3Å; E231-G233 PolarHBondContact O-N 3.17Å
234L42.1Very low65.6Low174 Ų17481.2 Ų81.291%0.91145%0.445SS*.SBendtrans95.5-30.2173.4-50178.6000117.9
235S42Very low65Low74 Ų7482 Ų8252%0.51745%0.454SS..  trans-103.475.4174.2-49.10000111.6E231 S237E231-S235 WeakPolarHBondContact OE2-CB 3.49Å; E231-S235 PolarHBondContact OE2-OG 3.19Å; S235-S237 PolarHBondContact O-N 2.91Å
236Q42.3Very low64.9Low188 Ų18883.5 Ų83.588%0.87946%0.462SS*.  trans-75.726178.1-61.6-175.71100113.8
237S42.3Very low64.9Low88 Ų8885.7 Ų85.762%0.61547%0.469SS*.SBendtrans-73.7128.6168-177.90000107.4S235 Q239S235-S237 PolarHBondContact O-N 2.91Å; S237-Q239 VanDerWaalsContact C-N 3.27Å; S237-Q239 PolarHBondContact O-N 3.3Å
238P45.4Very low65Low97 Ų9786 Ų8663%0.6347%0.47SS*.  trans-57.4101.2165.122.8-29.2000106.5V240P238-V240 PolarHBondContact O-N 3.19Å
239Q51.8Low65.2Low93 Ų9384.9 Ų84.944%0.43547%0.465SS..  trans-66.985.7167.2-73.4-169.73.100105.1S237 C241S237-Q239 VanDerWaalsContact C-N 3.27Å; S237-Q239 PolarHBondContact O-N 3.3Å; Q239-C241 PolarHBondContact O-N 2.99Å
240V47.6Very low65.4Low91 Ų9180.2 Ų80.255%0.55244%0.444SS*.  trans-56.1109.5170.91770000104.6P238 Q242P238-V240 PolarHBondContact O-N 3.19Å; V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 WeakPolarHBondContact O-CG 3.21Å; V240-Q242 PolarHBondContact O-N 3.04Å
241C53Low65.7Low31 Ų3177.9 Ų77.921%0.20943%0.432CS..  trans-60.396.6173.91770000106.8Q239 Q243 R250 V260Q239-C241 PolarHBondContact O-N 2.99Å; C241-Q243 PolarHBondContact O-N 2.84Å; C241-R250 PolarHBondContact SG-NH1 3.36Å; C241-R250 PolarHBondContact SG-NH2 3.33Å; C241-V260 HydrophobicContact CB-CG2 4.25Å
242Q54.8Low66.7Low124 Ų12473 Ų7358%0.57941%0.41SS*.  trans-66.395.7-178-70.6-106.2-27.900108.3V240 G244V240-Q242 VanDerWaalsContact C-N 3.27Å; V240-Q242 WeakPolarHBondContact O-CG 3.21Å; V240-Q242 PolarHBondContact O-N 3.04Å; Q242-G244 PolarHBondContact O-N 3.41Å
243Q57.2Low68.5Low174 Ų17465.1 Ų65.181%0.81337%0.367SS*.SBendtrans47.921.9163-9086.828.700118.9C241C241-Q243 PolarHBondContact O-N 2.84Å
244G69.1Low70.4Confident12 Ų1263.1 Ų63.112%0.12434%0.344CS..  trans-83.6158175.200000114.1Q242 R250Q242-G244 PolarHBondContact O-N 3.41Å; G244-R250 PolarHBondContact O-NH1 3.27Å
245G80.2Confident72.8Confident19 Ų1957.1 Ų57.120%0.19631%0.312CS..SBendtrans88.6165.8168.600000116.5D205 C226D205-G245 WeakPolarHBondContact OD1-CA 3.38Å; C226-G245 PolarHBondContact SG-N 3.05Å
246T90.2Very high75.2Confident35 Ų3559.3 Ų59.322%0.21531%0.313CS..  trans-86.7119.7-173.6-53.20000110.3D205 K207 T248 H249 R250D205-T246 VanDerWaalsContact OD1-CB 3.29Å; D205-T246 WeakPolarHBondContact OD1-CB 3.48Å; D205-T246 PolarHBondContact OD1-N 3.09Å; D205-T246 PolarHBondContact OD1-OG1 3.28Å; K207-T246 HydrophobicContact CD-CG2 4.28Å; K207-T246 WeakPolarHBondContact CD-OG1 3.49Å; K207-T246 PolarHBondContact NZ-OG1 3.44Å; T246-T248 WeakPolarHBondContact CG2-OG1 3.43Å; T246-T248 PolarHBondContact O-N 2.91Å; T246-T248 VanDerWaalsContact O-N 3.14Å; T246-H249 PolarHBondContact O-N 2.88Å; T246-R250 PolarHBondContact O-N 2.84Å
247Y92.1Very high77.3Confident63 Ų6352.7 Ų52.725%0.24730%0.295CS..G310 helixtrans-59.1-31.3-17172.4-83.2000114.2H249 R250 R287 V290 L291Y247-H249 VanDerWaalsContact C-N 3.27Å; Y247-H249 PolarHBondContact O-N 2.8Å; Y247-R250 PolarHBondContact O-N 2.88Å; Y247-R287 HydrophobicContact CD1-CG 4.14Å; Y247-R287 HydrophobicContact CD2-CB 4.4Å; Y247-R287 HydrophobicContact CD2-CG 3.91Å; Y247-R287 HydrophobicContact CE1-CG 4.42Å; Y247-R287 HydrophobicContact CE2-CB 4.19Å; Y247-R287 HydrophobicContact CE2-CG 4.2Å; Y247-R287 HydrophobicContact CG-CG 3.87Å; Y247-V290 HydrophobicContact CD2-CB 4.47Å; Y247-V290 HydrophobicContact CD2-CG1 4.3Å; Y247-V290 HydrophobicContact CE2-CB 4.15Å; Y247-V290 HydrophobicContact CE2-CG1 4.17Å; Y247-V290 HydrophobicContact CE2-CG2 4.48Å; Y247-L291 HydrophobicContact CD2-CD2 4.44Å; Y247-L291 HydrophobicContact CD2-CG 4.49Å
248T95.4Very high79.6Confident13 Ų1353 Ų538%0.0829%0.287CS..G310 helixtrans-69.9-22.1177.651.40000113.4T246 P282 Y283T246-T248 WeakPolarHBondContact CG2-OG1 3.43Å; T246-T248 PolarHBondContact O-N 2.91Å; T246-T248 VanDerWaalsContact O-N 3.14Å; T248-P282 HydrophobicContact CG2-CG 4.49Å; T248-Y283 HydrophobicContact CG2-CD2 4.06Å; T248-Y283 VanDerWaalsContact O-CE2 3.27Å; T248-Y283 WeakPolarHBondContact O-CE2 3.13Å
249H97.1Very high81.7Confident7 Ų757.6 Ų57.63%0.03229%0.291CS..G310 helixtrans-106.3-3.4-178.3-65.273.5000112.1L206 T246 Y247 S268 Q275L206-H249 PolarHBondContact O-CD2 2.93Å; T246-H249 PolarHBondContact O-N 2.88Å; Y247-H249 VanDerWaalsContact C-N 3.27Å; Y247-H249 PolarHBondContact O-N 2.8Å; H249-S268 WeakPolarHBondContact O-CA 3.29Å; H249-S268 WeakPolarHBondContact O-CB 3.23Å; H249-S268 PolarHBondContact O-OG 3.13Å; H249-Q275 PolarHBondContact CE1-OE1 3.25Å; H249-Q275 PolarHBondContact NE2-OE1 3.17Å
250R95.1Very high83.6Confident25 Ų2553.5 Ų53.59%0.09427%0.273CS..  trans-80.8127.2-171.4-168.8163.8178983.1110.4C241 G244 T246 Y247 L254 L255C241-R250 PolarHBondContact SG-NH1 3.36Å; C241-R250 PolarHBondContact SG-NH2 3.33Å; G244-R250 PolarHBondContact O-NH1 3.27Å; T246-R250 PolarHBondContact O-N 2.84Å; Y247-R250 PolarHBondContact O-N 2.88Å; R250-L254 HydrophobicContact CG-CB 3.8Å; R250-L254 HydrophobicContact CG-CD1 4.26Å; R250-L254 PolarHBondContact NE-O 3.14Å; R250-L254 PolarHBondContact NH2-O 3.39Å; R250-L255 HydrophobicContact CB-CD2 3.91Å; R250-L255 HydrophobicContact CB-CG 4.44Å; R250-L255 HydrophobicContact CG-CD2 3.63Å; R250-L255 HydrophobicContact CG-CG 4.18Å
251A96.5Very high85.8Confident0 Ų050.9 Ų50.90%026%0.257CS..  trans-65.1147.5-178.400000112.1E253 L254 L255 A264 Y267A251-E253 VanDerWaalsContact C-N 3.31Å; A251-E253 VanDerWaalsContact CB-CD 3.4Å; A251-E253 VanDerWaalsContact CB-OE1 3.22Å; A251-E253 WeakPolarHBondContact CB-OE1 3.44Å; A251-E253 VanDerWaalsContact CB-OE2 3.23Å; A251-E253 WeakPolarHBondContact CB-OE2 3.22Å; A251-E253 PolarHBondContact O-N 2.8Å; A251-L254 HydrophobicContact CB-CG 4.38Å; A251-L254 WeakPolarHBondContact O-CB 3.45Å; A251-L254 PolarHBondContact O-N 3.25Å; A251-L255 PolarHBondContact O-N 3.21Å; A251-A264 HydrophobicContact CB-CB 4.03Å; A251-Y267 HydrophobicContact CB-CD1 3.95Å; A251-Y267 HydrophobicContact CB-CD2 4.34Å; A251-Y267 HydrophobicContact CB-CG 3.75Å
252P96.1Very high87.8Confident4 Ų450.7 Ų50.73%0.02626%0.257CS..Hα-helixtrans-59.8-35.8-172.922.3-33.7000113.8L254 L255 K256 Y267 V294P252-L254 VanDerWaalsContact C-N 3.28Å; P252-L254 PolarHBondContact O-N 2.68Å; P252-L255 WeakPolarHBondContact O-CB 3.23Å; P252-L255 PolarHBondContact O-N 3.5Å; P252-L255 VanDerWaalsContact O-N 3.14Å; P252-K256 WeakPolarHBondContact O-CG 3.33Å; P252-K256 PolarHBondContact O-N 2.84Å; P252-Y267 VanDerWaalsContact CD-CE2 3.49Å; P252-Y267 HydrophobicContact CG-CE2 4.32Å; P252-V294 HydrophobicContact CB-CG1 4.47Å
253E95Very high89.9Confident3 Ų346.7 Ų46.71%0.01424%0.238CC..Hα-helixtrans-59.5-39.7174.368.4-82.1-163.300111.5A251 L255 K256 G257 E258 V329 R332A251-E253 VanDerWaalsContact C-N 3.31Å; A251-E253 VanDerWaalsContact CB-CD 3.4Å; A251-E253 VanDerWaalsContact CB-OE1 3.22Å; A251-E253 WeakPolarHBondContact CB-OE1 3.44Å; A251-E253 VanDerWaalsContact CB-OE2 3.23Å; A251-E253 WeakPolarHBondContact CB-OE2 3.22Å; A251-E253 PolarHBondContact O-N 2.8Å; E253-L255 VanDerWaalsContact C-N 3.28Å; E253-L255 PolarHBondContact O-N 3.33Å; E253-K256 PolarHBondContact O-N 3.41Å; E253-G257 PolarHBondContact O-N 3.41Å; E253-E258 WeakPolarHBondContact CA-OE2 3.49Å; E253-E258 HydrophobicContact CB-CB 4.01Å; E253-E258 WeakPolarHBondContact CB-OE2 3.24Å; E253-E258 WeakPolarHBondContact O-CB 3.29Å; E253-E258 PolarHBondContact O-N 2.9Å; E253-V329 HydrophobicContact CB-CG2 3.96Å; E253-V329 HydrophobicContact CG-CG2 3.78Å; E253-R332 IonicContact OE1-CZ 3.62Å; E253-R332 IonicContact OE1-NH1 3.77Å; E253-R332 PolarHBondContact OE1-NH1 2.93Å; E253-R332 IonicContact OE1-NH2 3.67Å; E253-R332 IonicContact OE2-CZ 2.71Å; E253-R332 IonicContact OE2-NH1 3.91Å; E253-R332 PolarHBondContact OE2-NH1 2.83Å; E253-R332 IonicContact OE2-NH2 3.57Å; E253-R332 PolarHBondContact OE2-NH2 3.35Å
254L93.2Very high91.8Very high11 Ų1138.5 Ų38.56%0.05820%0.2CC..Hα-helixtrans-74-20.8178.5-60.7-171.8000113.1L204 R250 A251 P252 V260 A264L204-L254 HydrophobicContact CD2-CD1 3.89Å; R250-L254 HydrophobicContact CG-CB 3.8Å; R250-L254 HydrophobicContact CG-CD1 4.26Å; R250-L254 PolarHBondContact NE-O 3.14Å; R250-L254 PolarHBondContact NH2-O 3.39Å; A251-L254 HydrophobicContact CB-CG 4.38Å; A251-L254 WeakPolarHBondContact O-CB 3.45Å; A251-L254 PolarHBondContact O-N 3.25Å; P252-L254 VanDerWaalsContact C-N 3.28Å; P252-L254 PolarHBondContact O-N 2.68Å; L254-V260 HydrophobicContact CD2-CB 4.32Å; L254-V260 HydrophobicContact CD2-CG2 3.75Å; L254-A264 HydrophobicContact CD1-CB 3.65Å; L254-A264 HydrophobicContact CG-CB 4.07Å
255L93Very high93.1Very high47 Ų4737.9 Ų37.925%0.24619%0.194CC..Hα-helixtrans-81.1-31173.5-62.3-178.2000111.8R250 A251 P252 E253 G257 L291 V294 V295R250-L255 HydrophobicContact CB-CD2 3.91Å; R250-L255 HydrophobicContact CB-CG 4.44Å; R250-L255 HydrophobicContact CG-CD2 3.63Å; R250-L255 HydrophobicContact CG-CG 4.18Å; A251-L255 PolarHBondContact O-N 3.21Å; P252-L255 WeakPolarHBondContact O-CB 3.23Å; P252-L255 PolarHBondContact O-N 3.5Å; P252-L255 VanDerWaalsContact O-N 3.14Å; E253-L255 VanDerWaalsContact C-N 3.28Å; E253-L255 PolarHBondContact O-N 3.33Å; L255-G257 VanDerWaalsContact C-N 3.26Å; L255-L291 HydrophobicContact CD1-CD2 3.65Å; L255-L291 HydrophobicContact CD2-CD2 3.35Å; L255-L291 HydrophobicContact CG-CD2 4.09Å; L255-V294 HydrophobicContact CD1-CB 4.39Å; L255-V294 HydrophobicContact CD1-CG1 3.99Å; L255-V295 HydrophobicContact CB-CG2 3.61Å; L255-V295 HydrophobicContact CD1-CG2 3.87Å; L255-V295 HydrophobicContact CG-CG2 4.38Å
256K91.1Very high94Very high120 Ų12037 Ų3752%0.52219%0.185SC..Hα-helixtrans-78-10172.7-66.8173-176.7-179.50113.5P252 E253 E258 V295P252-K256 WeakPolarHBondContact O-CG 3.33Å; P252-K256 PolarHBondContact O-N 2.84Å; E253-K256 PolarHBondContact O-N 3.41Å; K256-E258 HydrophobicContact CB-CG 3.93Å; K256-E258 WeakPolarHBondContact CD-OE1 3.4Å; K256-E258 IonicContact NZ-OE1 3.75Å; K256-V295 HydrophobicContact CD-CG1 4.24Å; K256-V295 HydrophobicContact CG-CG1 3.73Å; K256-V295 HydrophobicContact CG-CG2 4.45Å
257G88.1Confident94.4Very high49 Ų4935.4 Ų35.451%0.50518%0.175SC..THydrogen-bonded Turntrans78.720.6-17600000113.5E253 L255E253-G257 PolarHBondContact O-N 3.41Å; L255-G257 VanDerWaalsContact C-N 3.26Å
258E89.9Confident94.7Very high95 Ų9532.5 Ų32.544%0.44416%0.164SC..  trans-74.7175.3175.3-61.3170.8-17100111.4E253 K256E253-E258 WeakPolarHBondContact CA-OE2 3.49Å; E253-E258 HydrophobicContact CB-CB 4.01Å; E253-E258 WeakPolarHBondContact CB-OE2 3.24Å; E253-E258 WeakPolarHBondContact O-CB 3.29Å; E253-E258 PolarHBondContact O-N 2.9Å; K256-E258 HydrophobicContact CB-CG 3.93Å; K256-E258 WeakPolarHBondContact CD-OE1 3.4Å; K256-E258 IonicContact NZ-OE1 3.75Å
259R88.9Confident94.9Very high193 Ų19332 Ų3273%0.72816%0.16SC*.  trans-63.8137.4-175.4-172.5-179.7-179.4-1420111.9
260V91.4Very high94.9Very high8 Ų831.6 Ų31.65%0.04816%0.159CC..  trans-68.6132.6173.4178.30000111V202 L204 L230 C241 L254V202-V260 HydrophobicContact CG1-CG1 4.47Å; L204-V260 HydrophobicContact CD1-CG1 4.04Å; L204-V260 HydrophobicContact CD2-CG1 3.71Å; L204-V260 HydrophobicContact CG-CG1 4.45Å; L230-V260 HydrophobicContact CD2-CG1 4.31Å; C241-V260 HydrophobicContact CB-CG2 4.25Å; L254-V260 HydrophobicContact CD2-CB 4.32Å; L254-V260 HydrophobicContact CD2-CG2 3.75Å
261T94.1Very high95.1Very high36 Ų3630.4 Ų30.422%0.22115%0.154CC..  trans-136.5159.9172.971.60000110.4K263 A264 V329T261-K263 PolarHBondContact O-N 3.13Å; T261-K263 VanDerWaalsContact O-N 3.13Å; T261-K263 PolarHBondContact OG1-N 2.81Å; T261-A264 VanDerWaalsContact O-CB 3.31Å; T261-A264 WeakPolarHBondContact O-CB 3.36Å; T261-A264 PolarHBondContact O-N 3.21Å; T261-V329 HydrophobicContact CG2-CG1 4.38Å
262A96.3Very high95.2Very high26 Ų2630.4 Ų30.422%0.21515%0.154CC..THydrogen-bonded Turntrans-57.9-24.1173.600000113.4H197 V202 A264 D265H197-A262 HydrophobicContact CB-CB 4.28Å; H197-A262 PolarHBondContact CE1-O 2.89Å; V202-A262 HydrophobicContact CG2-CB 4.32Å; A262-A264 PolarHBondContact O-N 3.05Å; A262-D265 PolarHBondContact O-N 3.26Å
263K97.3Very high95.2Very high41 Ų4130.2 Ų30.218%0.17815%0.153CC..Hα-helixtrans-69.3-13.4177.5-58.5-66.7-17565.60113.2T261 I266 Y267 V329 R332 L333T261-K263 PolarHBondContact O-N 3.13Å; T261-K263 VanDerWaalsContact O-N 3.13Å; T261-K263 PolarHBondContact OG1-N 2.81Å; K263-I266 HydrophobicContact CD-CG1 4.43Å; K263-I266 WeakPolarHBondContact O-CB 3.47Å; K263-I266 PolarHBondContact O-N 3.05Å; K263-Y267 PolarHBondContact O-N 3.27Å; K263-V329 HydrophobicContact CB-CG1 3.79Å; K263-V329 HydrophobicContact CG-CG1 4.06Å; K263-R332 HydrophobicContact CB-CB 4.41Å; K263-R332 HydrophobicContact CD-CB 4.15Å; K263-R332 WeakPolarHBondContact CD-O 3.46Å; K263-R332 VanDerWaalsContact CE-O 3.22Å; K263-R332 WeakPolarHBondContact CE-O 3.33Å; K263-R332 PolarHBondContact NZ-O 2.88Å; K263-R332 PolarHBondContact O-NH1 3.5Å; K263-L333 WeakPolarHBondContact CD-O 3.49Å
264A97.1Very high95.4Very high1 Ų130.5 Ų30.51%0.00815%0.154CC..Hα-helixtrans-66.5-40.4170.900000111.4L204 A251 L254 T261 A262 I266 Y267 S268L204-A264 HydrophobicContact CD2-CB 4.31Å; A251-A264 HydrophobicContact CB-CB 4.03Å; L254-A264 HydrophobicContact CD1-CB 3.65Å; L254-A264 HydrophobicContact CG-CB 4.07Å; T261-A264 VanDerWaalsContact O-CB 3.31Å; T261-A264 WeakPolarHBondContact O-CB 3.36Å; T261-A264 PolarHBondContact O-N 3.21Å; A262-A264 PolarHBondContact O-N 3.05Å; A264-I266 PolarHBondContact O-N 2.82Å; A264-Y267 WeakPolarHBondContact O-CB 3.31Å; A264-Y267 PolarHBondContact O-N 2.69Å; A264-S268 PolarHBondContact O-N 3.39Å; A264-S268 VanDerWaalsContact O-N 3.09Å; A264-S268 PolarHBondContact O-OG 3.31Å
265D98.1Very high95.5Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-66-30.3175.8-69.7-21.7000111.9L193 H197 V202 H203 L204 A262 Y267 S268 F269L193-D265 HydrophobicContact CD1-CB 4.43Å; L193-D265 HydrophobicContact CD2-CB 3.94Å; H197-D265 IonicContact CD2-OD2 2.88Å; H197-D265 IonicContact CE1-OD2 3.44Å; H197-D265 IonicContact NE2-OD2 2.77Å; H197-D265 PolarHBondContact NE2-OD2 2.81Å; V202-D265 VanDerWaalsContact CG1-OD2 3.24Å; V202-D265 WeakPolarHBondContact CG1-OD2 3.43Å; H203-D265 PolarHBondContact N-OD1 3.27Å; H203-D265 PolarHBondContact N-OD2 3.35Å; L204-D265 PolarHBondContact N-OD1 3.26Å; A262-D265 PolarHBondContact O-N 3.26Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; D265-S268 PolarHBondContact O-N 3.06Å; D265-F269 WeakPolarHBondContact O-CB 3.22Å; D265-F269 PolarHBondContact O-N 2.77Å
266I98.5Very high95.6Very high0 Ų027.9 Ų27.90%014%0.14CC..Hα-helixtrans-65.6-38.4175.9-54.5-57.2000110.9M190 K263 A264 F269 A270 C324 A335 L338M190-I266 HydrophobicContact SD-CD1 4.21Å; K263-I266 HydrophobicContact CD-CG1 4.43Å; K263-I266 WeakPolarHBondContact O-CB 3.47Å; K263-I266 PolarHBondContact O-N 3.05Å; A264-I266 PolarHBondContact O-N 2.82Å; I266-F269 WeakPolarHBondContact O-CB 3.2Å; I266-F269 PolarHBondContact O-N 3.23Å; I266-A270 PolarHBondContact O-N 2.82Å; I266-C324 HydrophobicContact CG2-CB 3.77Å; I266-A335 HydrophobicContact CD1-CB 3.83Å; I266-L338 HydrophobicContact CD1-CD1 4.37Å; I266-L338 HydrophobicContact CG2-CD1 3.68Å
267Y98.6Very high95.7Very high1 Ų123.2 Ų23.20%0.00412%0.122CC..Hα-helixtrans-63.1-48.2171-178.9-77.7000111A251 P252 K263 A264 D265 F269 A270 I271 Y283 R300 C324 W325A251-Y267 HydrophobicContact CB-CD1 3.95Å; A251-Y267 HydrophobicContact CB-CD2 4.34Å; A251-Y267 HydrophobicContact CB-CG 3.75Å; P252-Y267 VanDerWaalsContact CD-CE2 3.49Å; P252-Y267 HydrophobicContact CG-CE2 4.32Å; K263-Y267 PolarHBondContact O-N 3.27Å; A264-Y267 WeakPolarHBondContact O-CB 3.31Å; A264-Y267 PolarHBondContact O-N 2.69Å; D265-Y267 VanDerWaalsContact C-N 3.32Å; Y267-F269 PolarHBondContact O-N 3.36Å; Y267-A270 VanDerWaalsContact O-CB 3.3Å; Y267-A270 WeakPolarHBondContact O-CB 3.49Å; Y267-A270 PolarHBondContact O-N 2.82Å; Y267-A270 VanDerWaalsContact O-N 3.08Å; Y267-I271 HydrophobicContact CD1-CG1 4.22Å; Y267-I271 HydrophobicContact CE1-CD1 4.2Å; Y267-I271 HydrophobicContact CE1-CG1 3.78Å; Y267-I271 PolarHBondContact O-N 3.4Å; Y267-Y283 PolarHBondContact OH-OH 3.3Å; Y267-R300 PolarHBondContact OH-NE 2.81Å; Y267-C324 WeakPolarHBondContact CA-O 3.42Å; Y267-W325 HydrophobicContact CD2-CB 3.82Å; Y267-W325 HydrophobicContact CE2-CB 3.8Å; Y267-W325 WeakPolarHBondContact CE2-O 3.37Å
268S98.4Very high96Very high3 Ų322.7 Ų22.72%0.02111%0.107CC..Hα-helixtrans-60.9-35.1177.9-54.70000112.5H249 A264 D265 T272H249-S268 WeakPolarHBondContact O-CA 3.29Å; H249-S268 WeakPolarHBondContact O-CB 3.23Å; H249-S268 PolarHBondContact O-OG 3.13Å; A264-S268 PolarHBondContact O-N 3.39Å; A264-S268 VanDerWaalsContact O-N 3.09Å; A264-S268 PolarHBondContact O-OG 3.31Å; D265-S268 PolarHBondContact O-N 3.06Å; S268-T272 WeakPolarHBondContact O-CB 3.37Å; S268-T272 PolarHBondContact O-N 3.39Å; S268-T272 PolarHBondContact O-OG1 3.22Å
269F98.6Very high96Very high1 Ų121.4 Ų21.40%0.00410%0.098CC..Hα-helixtrans-63.1-43.6172.9170.3-96.6000111.4I189 M190 L193 L206 D265 I266 Y267 I271 T272 L273 L342I189-F269 HydrophobicContact CB-CD2 4.33Å; I189-F269 HydrophobicContact CB-CE2 4.21Å; I189-F269 HydrophobicContact CG2-CD2 3.72Å; I189-F269 HydrophobicContact CG2-CE2 4.12Å; M190-F269 HydrophobicContact CE-CD1 3.32Å; M190-F269 HydrophobicContact CE-CD2 4Å; M190-F269 HydrophobicContact CE-CE1 3.31Å; M190-F269 HydrophobicContact CE-CE2 3.98Å; M190-F269 HydrophobicContact CE-CG 3.68Å; M190-F269 HydrophobicContact CE-CZ 3.65Å; L193-F269 HydrophobicContact CD1-CB 4.09Å; L206-F269 HydrophobicContact CD2-CB 3.89Å; D265-F269 WeakPolarHBondContact O-CB 3.22Å; D265-F269 PolarHBondContact O-N 2.77Å; I266-F269 WeakPolarHBondContact O-CB 3.2Å; I266-F269 PolarHBondContact O-N 3.23Å; Y267-F269 PolarHBondContact O-N 3.36Å; F269-I271 VanDerWaalsContact C-N 3.34Å; F269-I271 PolarHBondContact O-N 3.17Å; F269-T272 CarbonylContact O-C 3.55Å; F269-T272 WeakPolarHBondContact O-CB 3.17Å; F269-T272 PolarHBondContact O-N 3.08Å; F269-L273 HydrophobicContact CE1-CB 4.4Å; F269-L273 HydrophobicContact CE1-CD2 3.86Å; F269-L273 HydrophobicContact CZ-CB 4.39Å; F269-L273 HydrophobicContact CZ-CD2 4.01Å; F269-L273 WeakPolarHBondContact O-CB 3.4Å; F269-L273 PolarHBondContact O-N 2.98Å; F269-L342 HydrophobicContact CE1-CD1 4.42Å; F269-L342 HydrophobicContact CZ-CD1 3.95Å
270A98.4Very high96.1Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-58.7-45177.900000112.3I266 Y267 L273 W274 I321 C324 W325I266-A270 PolarHBondContact O-N 2.82Å; Y267-A270 VanDerWaalsContact O-CB 3.3Å; Y267-A270 WeakPolarHBondContact O-CB 3.49Å; Y267-A270 PolarHBondContact O-N 2.82Å; Y267-A270 VanDerWaalsContact O-N 3.08Å; A270-L273 PolarHBondContact O-N 2.75Å; A270-W274 WeakPolarHBondContact O-CB 3.46Å; A270-W274 PolarHBondContact O-N 2.71Å; A270-I321 HydrophobicContact CB-CG2 4.4Å; A270-C324 HydrophobicContact CB-CB 3.55Å; A270-W325 HydrophobicContact CB-CB 3.76Å; A270-W325 HydrophobicContact CB-CD2 4.48Å; A270-W325 HydrophobicContact CB-CE3 4.27Å; A270-W325 HydrophobicContact CB-CG 4.3Å
271I98.4Very high96.2Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-64-44.1176.2-58-65.1000110.2Y267 F269 W274 Q275 P282 Y283 P301 W325Y267-I271 HydrophobicContact CD1-CG1 4.22Å; Y267-I271 HydrophobicContact CE1-CD1 4.2Å; Y267-I271 HydrophobicContact CE1-CG1 3.78Å; Y267-I271 PolarHBondContact O-N 3.4Å; F269-I271 VanDerWaalsContact C-N 3.34Å; F269-I271 PolarHBondContact O-N 3.17Å; I271-W274 PolarHBondContact O-N 3.17Å; I271-Q275 WeakPolarHBondContact O-CG 3.45Å; I271-Q275 PolarHBondContact O-N 2.87Å; I271-P282 HydrophobicContact CG2-CB 3.71Å; I271-P282 HydrophobicContact CG2-CG 3.86Å; I271-Y283 HydrophobicContact CD1-CE2 4.36Å; I271-P301 HydrophobicContact CD1-CG 4.07Å; I271-W325 HydrophobicContact CD1-CE3 3.75Å; I271-W325 HydrophobicContact CD1-CZ3 4.15Å
272T98.1Very high96.2Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-60.7-46.8177.2-60.20000111.2L151 P208 S268 F269 W274 Q275 I276L151-T272 HydrophobicContact CD2-CG2 3.88Å; P208-T272 HydrophobicContact CG-CG2 4.09Å; S268-T272 WeakPolarHBondContact O-CB 3.37Å; S268-T272 PolarHBondContact O-N 3.39Å; S268-T272 PolarHBondContact O-OG1 3.22Å; F269-T272 CarbonylContact O-C 3.55Å; F269-T272 WeakPolarHBondContact O-CB 3.17Å; F269-T272 PolarHBondContact O-N 3.08Å; T272-W274 VanDerWaalsContact C-N 3.35Å; T272-W274 PolarHBondContact O-N 3.2Å; T272-Q275 WeakPolarHBondContact O-CB 3.4Å; T272-Q275 PolarHBondContact O-N 2.71Å; T272-Q275 VanDerWaalsContact O-N 3.11Å; T272-I276 WeakPolarHBondContact O-CG1 3.47Å; T272-I276 PolarHBondContact O-N 3.28Å
273L97.4Very high96.2Very high0 Ų020 Ų200%09%0.092CC..Hα-helixtrans-60.7-44177.7176.952.5000111.6T182 S186 F269 A270 Q275 I276 V277 L317 I320 I321T182-L273 HydrophobicContact CG2-CD1 4.29Å; S186-L273 WeakPolarHBondContact OG-CD1 3.41Å; F269-L273 HydrophobicContact CE1-CB 4.4Å; F269-L273 HydrophobicContact CE1-CD2 3.86Å; F269-L273 HydrophobicContact CZ-CB 4.39Å; F269-L273 HydrophobicContact CZ-CD2 4.01Å; F269-L273 WeakPolarHBondContact O-CB 3.4Å; F269-L273 PolarHBondContact O-N 2.98Å; A270-L273 PolarHBondContact O-N 2.75Å; L273-Q275 VanDerWaalsContact C-N 3.28Å; L273-Q275 PolarHBondContact O-N 2.65Å; L273-I276 HydrophobicContact CD1-CD1 4.49Å; L273-I276 WeakPolarHBondContact O-CB 3.48Å; L273-I276 PolarHBondContact O-N 3.27Å; L273-I276 VanDerWaalsContact O-N 3.1Å; L273-V277 HydrophobicContact CD1-CG2 4.32Å; L273-V277 WeakPolarHBondContact O-CG2 3.41Å; L273-V277 PolarHBondContact O-N 3.14Å; L273-V277 VanDerWaalsContact O-N 3.08Å; L273-L317 HydrophobicContact CD1-CD2 4.45Å; L273-L317 HydrophobicContact CD2-CD2 4.34Å; L273-I320 HydrophobicContact CD2-CG2 4.29Å; L273-I321 HydrophobicContact CB-CG1 4.34Å; L273-I321 HydrophobicContact CD2-CD1 4.31Å; L273-I321 HydrophobicContact CD2-CG1 3.67Å; L273-I321 HydrophobicContact CG-CD1 4.02Å; L273-I321 HydrophobicContact CG-CG1 3.83Å
274W97.8Very high95.7Very high8 Ų825.2 Ų25.23%0.0312%0.121CC..Hα-helixtrans-56.6-43.2173.6-176.791000111.6A270 I271 T272 I276 V277 M278 E280 P282 P301 S302 I321 W325A270-W274 WeakPolarHBondContact O-CB 3.46Å; A270-W274 PolarHBondContact O-N 2.71Å; I271-W274 PolarHBondContact O-N 3.17Å; T272-W274 VanDerWaalsContact C-N 3.35Å; T272-W274 PolarHBondContact O-N 3.2Å; W274-I276 VanDerWaalsContact C-N 3.35Å; W274-I276 PolarHBondContact O-N 3.04Å; W274-V277 PolarHBondContact O-N 3.4Å; W274-M278 HydrophobicContact CD2-CB 4.15Å; W274-M278 HydrophobicContact CD2-CG 3.94Å; W274-M278 VanDerWaalsContact CE2-CG 3.42Å; W274-M278 HydrophobicContact CE3-CB 4.25Å; W274-M278 HydrophobicContact CG-CG 4.34Å; W274-M278 HydrophobicContact CH2-CB 3.92Å; W274-M278 HydrophobicContact CH2-CG 4.26Å; W274-M278 HydrophobicContact CZ2-CB 3.81Å; W274-M278 HydrophobicContact CZ2-CG 3.62Å; W274-M278 HydrophobicContact CZ3-CB 4.13Å; W274-M278 WeakPolarHBondContact O-CB 3.47Å; W274-M278 PolarHBondContact O-N 3.22Å; W274-E280 HydrophobicContact CH2-CB 3.68Å; W274-E280 HydrophobicContact CZ3-CB 3.91Å; W274-E280 WeakPolarHBondContact CZ3-O 3.29Å; W274-P282 HydrophobicContact CE3-CB 4.25Å; W274-P282 HydrophobicContact CZ3-CB 4.24Å; W274-P301 HydrophobicContact CD2-CB 3.44Å; W274-P301 VanDerWaalsContact CD2-CB 3.44Å; W274-P301 HydrophobicContact CD2-CG 4.08Å; W274-P301 HydrophobicContact CE3-CB 3.93Å; W274-P301 HydrophobicContact CE3-CG 4.27Å; W274-P301 HydrophobicContact CG-CB 3.88Å; W274-P301 HydrophobicContact CG-CG 4.4Å; W274-P301 HydrophobicContact CH2-CB 4.06Å; W274-P301 HydrophobicContact CZ2-CB 3.58Å; W274-P301 HydrophobicContact CZ3-CB 4.22Å; W274-S302 PolarHBondContact NE1-O 3.14Å; W274-I321 HydrophobicContact CB-CD1 4.42Å; W274-W325 HydrophobicContact CB-CZ3 4.3Å; W274-W325 HydrophobicContact CG-CZ3 4.32Å
275Q96.2Very high95.3Very high3 Ų328 Ų281%0.01415%0.15CC..Hα-helixtrans-66-34176.3-65.5176-7500113I155 Y156 P208 H249 I271 T272 L273 V277 R279 P282I155-Q275 HydrophobicContact CD1-CB 4.06Å; I155-Q275 WeakPolarHBondContact CG2-O 3.42Å; Y156-Q275 PolarHBondContact OH-NE2 3.47Å; P208-Q275 VanDerWaalsContact CD-OE1 3.3Å; P208-Q275 HydrophobicContact CG-CB 4.45Å; H249-Q275 PolarHBondContact CE1-OE1 3.25Å; H249-Q275 PolarHBondContact NE2-OE1 3.17Å; I271-Q275 WeakPolarHBondContact O-CG 3.45Å; I271-Q275 PolarHBondContact O-N 2.87Å; T272-Q275 WeakPolarHBondContact O-CB 3.4Å; T272-Q275 PolarHBondContact O-N 2.71Å; T272-Q275 VanDerWaalsContact O-N 3.11Å; L273-Q275 VanDerWaalsContact C-N 3.28Å; L273-Q275 PolarHBondContact O-N 2.65Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; Q275-R279 VanDerWaalsContact O-CA 3.28Å; Q275-R279 WeakPolarHBondContact O-CA 3.49Å; Q275-R279 PolarHBondContact O-N 3.02Å; Q275-P282 HydrophobicContact CG-CG 4.46Å
276I94.8Very high95.1Very high1 Ų135 Ų351%0.00518%0.183CC..Hα-helixtrans-62.5-44174.8-60169000110L151 I155 L177 T182 I189 T272 L273 W274 R279L151-I276 HydrophobicContact CD1-CD1 4.35Å; L151-I276 HydrophobicContact CD1-CG1 4.13Å; L151-I276 HydrophobicContact CD2-CD1 3.74Å; L151-I276 HydrophobicContact CD2-CG1 3.85Å; L151-I276 HydrophobicContact CG-CG1 4.3Å; I155-I276 HydrophobicContact CD1-CG1 3.93Å; L177-I276 HydrophobicContact CD1-CG2 3.84Å; T182-I276 HydrophobicContact CG2-CB 4.45Å; T182-I276 HydrophobicContact CG2-CG2 3.69Å; I189-I276 HydrophobicContact CD1-CD1 4.49Å; T272-I276 WeakPolarHBondContact O-CG1 3.47Å; T272-I276 PolarHBondContact O-N 3.28Å; L273-I276 HydrophobicContact CD1-CD1 4.49Å; L273-I276 WeakPolarHBondContact O-CB 3.48Å; L273-I276 PolarHBondContact O-N 3.27Å; L273-I276 VanDerWaalsContact O-N 3.1Å; W274-I276 VanDerWaalsContact C-N 3.35Å; W274-I276 PolarHBondContact O-N 3.04Å; I276-R279 WeakPolarHBondContact O-CD 3.12Å; I276-R279 PolarHBondContact O-NE 3.17Å
277V93.7Very high94.8Very high22 Ų2241 Ų4113%0.13321%0.205CC..Hα-helixtrans-73.7-49.8-177.6177.10000111.3T182 L273 W274 Q275 V307 F308 L317T182-V277 HydrophobicContact CG2-CG2 3.88Å; L273-V277 HydrophobicContact CD1-CG2 4.32Å; L273-V277 WeakPolarHBondContact O-CG2 3.41Å; L273-V277 PolarHBondContact O-N 3.14Å; L273-V277 VanDerWaalsContact O-N 3.08Å; W274-V277 PolarHBondContact O-N 3.4Å; Q275-V277 VanDerWaalsContact C-N 3.32Å; V277-V307 HydrophobicContact CG1-CB 4.33Å; V277-V307 HydrophobicContact CG1-CG1 3.53Å; V277-V307 HydrophobicContact CG1-CG2 3.81Å; V277-F308 HydrophobicContact CB-CE1 4.22Å; V277-F308 HydrophobicContact CB-CZ 3.98Å; V277-F308 HydrophobicContact CG1-CE1 3.71Å; V277-F308 HydrophobicContact CG1-CE2 4.27Å; V277-F308 HydrophobicContact CG1-CZ 3.57Å; V277-F308 HydrophobicContact CG2-CE1 4.29Å; V277-F308 HydrophobicContact CG2-CZ 4.48Å; V277-L317 HydrophobicContact CG2-CD1 4.29Å
278M93.1Very high94.6Very high37 Ų3748.4 Ų48.418%0.18224%0.24CC..Hα-helixtrans-86.3-22.8-170.8-68-56.6-58.900114W274 E280 A305 V307 F308W274-M278 HydrophobicContact CD2-CB 4.15Å; W274-M278 HydrophobicContact CD2-CG 3.94Å; W274-M278 VanDerWaalsContact CE2-CG 3.42Å; W274-M278 HydrophobicContact CE3-CB 4.25Å; W274-M278 HydrophobicContact CG-CG 4.34Å; W274-M278 HydrophobicContact CH2-CB 3.92Å; W274-M278 HydrophobicContact CH2-CG 4.26Å; W274-M278 HydrophobicContact CZ2-CB 3.81Å; W274-M278 HydrophobicContact CZ2-CG 3.62Å; W274-M278 HydrophobicContact CZ3-CB 4.13Å; W274-M278 WeakPolarHBondContact O-CB 3.47Å; W274-M278 PolarHBondContact O-N 3.22Å; M278-E280 HydrophobicContact CB-CB 4.39Å; M278-E280 PolarHBondContact O-N 2.99Å; M278-A305 HydrophobicContact CE-CB 3.46Å; M278-A305 VanDerWaalsContact CE-CB 3.46Å; M278-A305 HydrophobicContact SD-CB 3.51Å; M278-A305 VanDerWaalsContact SD-CB 3.51Å; M278-V307 HydrophobicContact SD-CG1 3.89Å; M278-F308 HydrophobicContact CG-CE2 3.95Å; M278-F308 HydrophobicContact CG-CZ 4.24Å; M278-F308 HydrophobicContact SD-CD2 4.37Å; M278-F308 HydrophobicContact SD-CE2 3.62Å; M278-F308 HydrophobicContact SD-CZ 4.3Å
279R91.1Very high94.5Very high69 Ų6955 Ų5526%0.2627%0.265SS..  trans59.128.1-175.6-49.6-55.6-167.5123.657.3114.8V154 I155 L177 Q275 I276V154-R279 VanDerWaalsContact C-NH1 3.33Å; V154-R279 PolarHBondContact O-NH1 2.64Å; I155-R279 HydrophobicContact CG2-CB 4.41Å; L177-R279 VanDerWaalsContact N-NH2 3.16Å; Q275-R279 VanDerWaalsContact O-CA 3.28Å; Q275-R279 WeakPolarHBondContact O-CA 3.49Å; Q275-R279 PolarHBondContact O-N 3.02Å; I276-R279 WeakPolarHBondContact O-CD 3.12Å; I276-R279 PolarHBondContact O-NE 3.17Å
280E91.6Very high94.3Very high107 Ų10755.1 Ų55.150%0.527%0.266SS..SBendtrans-120.8159.2-176.8-73.9175.1-171.500111.2Y156 W274 M278Y156-E280 PolarHBondContact OH-O 3.15Å; W274-E280 HydrophobicContact CH2-CB 3.68Å; W274-E280 HydrophobicContact CZ3-CB 3.91Å; W274-E280 WeakPolarHBondContact CZ3-O 3.29Å; M278-E280 HydrophobicContact CB-CB 4.39Å; M278-E280 PolarHBondContact O-N 2.99Å
281Q92.6Very high94.2Very high97 Ų9757 Ų5745%0.45328%0.276SS..  trans-69.4135.2167.2-69.2-70.6-12.300109.2Y283Q281-Y283 VanDerWaalsContact C-N 3.31Å; Q281-Y283 PolarHBondContact O-N 2.78Å
282P94.8Very high94Very high8 Ų863.4 Ų63.45%0.05230%0.301CS..SBendtrans-69.7-28.3-170.227.4-35.7000113.4T248 I271 W274 Q275 P301T248-P282 HydrophobicContact CG2-CG 4.49Å; I271-P282 HydrophobicContact CG2-CB 3.71Å; I271-P282 HydrophobicContact CG2-CG 3.86Å; W274-P282 HydrophobicContact CE3-CB 4.25Å; W274-P282 HydrophobicContact CZ3-CB 4.24Å; Q275-P282 HydrophobicContact CG-CG 4.46Å; P282-P301 HydrophobicContact CB-CG 3.81Å
283Y95.1Very high93.9Very high22 Ų2263.5 Ų63.59%0.08630%0.302CS..  trans-139.4142.4-179.3-55.9-69.8000110T248 Y267 I271 Q281 V290 V294 L299 P301T248-Y283 HydrophobicContact CG2-CD2 4.06Å; T248-Y283 VanDerWaalsContact O-CE2 3.27Å; T248-Y283 WeakPolarHBondContact O-CE2 3.13Å; Y267-Y283 PolarHBondContact OH-OH 3.3Å; I271-Y283 HydrophobicContact CD1-CE2 4.36Å; Q281-Y283 VanDerWaalsContact C-N 3.31Å; Q281-Y283 PolarHBondContact O-N 2.78Å; Y283-V290 HydrophobicContact CD1-CG1 4.21Å; Y283-V290 HydrophobicContact CD2-CG1 3.78Å; Y283-V290 HydrophobicContact CE2-CG1 4.43Å; Y283-V290 HydrophobicContact CG-CG1 3.64Å; Y283-V294 HydrophobicContact CE1-CG2 4.09Å; Y283-V294 HydrophobicContact CE2-CG2 4.35Å; Y283-L299 HydrophobicContact CD1-CD2 3.98Å; Y283-L299 HydrophobicContact CD1-CG 4.25Å; Y283-L299 HydrophobicContact CE1-CD2 4.2Å; Y283-L299 HydrophobicContact CE1-CG 4.03Å; Y283-P301 HydrophobicContact CE1-CG 4.24Å
284L88.3Confident93.9Very high150 Ų15063.8 Ų63.879%0.78530%0.303SS*.  trans-108.4151.3171.5-60.2175.6000109.1
285G88.7Confident93.8Very high60 Ų6065.7 Ų65.762%0.61932%0.316SS*.SBendtrans102.3-175.4177.400000114.4
286E92.8Very high93.8Very high147 Ų14768 Ų6869%0.68734%0.336SS*.  trans-72.7148.8-174.1-64.4-171.9177.800112.7Q288 Y289 V290E286-Q288 VanDerWaalsContact C-N 3.29Å; E286-Q288 PolarHBondContact O-N 2.97Å; E286-Y289 PolarHBondContact O-N 3.36Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; E286-V290 WeakPolarHBondContact O-CG2 3.49Å; E286-V290 PolarHBondContact O-N 3.11Å
287R93.1Very high93.9Very high125 Ų12576 Ų7647%0.47237%0.367SS..Hα-helixtrans-50.1-47.1179.9176.9179.7174.6113.51.8112.7Y247 Y289 V290 L291Y247-R287 HydrophobicContact CD1-CG 4.14Å; Y247-R287 HydrophobicContact CD2-CB 4.4Å; Y247-R287 HydrophobicContact CD2-CG 3.91Å; Y247-R287 HydrophobicContact CE1-CG 4.42Å; Y247-R287 HydrophobicContact CE2-CB 4.19Å; Y247-R287 HydrophobicContact CE2-CG 4.2Å; Y247-R287 HydrophobicContact CG-CG 3.87Å; R287-Y289 PolarHBondContact O-N 3Å; R287-V290 PolarHBondContact O-N 3.13Å; R287-L291 HydrophobicContact CG-CD1 3.87Å; R287-L291 HydrophobicContact CG-CG 4.28Å; R287-L291 WeakPolarHBondContact O-CB 3.47Å; R287-L291 WeakPolarHBondContact O-CG 3.5Å; R287-L291 PolarHBondContact O-N 3.4Å
288Q94.1Very high94.1Very high157 Ų15779 Ų7973%0.73438%0.382SS*.Hα-helixtrans-65.1-41.8-175.4-62.7-178.710.300111.7E286 Y292E286-Q288 VanDerWaalsContact C-N 3.29Å; E286-Q288 PolarHBondContact O-N 2.97Å; Q288-Y292 WeakPolarHBondContact O-CB 3.48Å; Q288-Y292 PolarHBondContact O-N 3.04Å
289Y95.4Very high94.3Very high142 Ų14280 Ų8056%0.55739%0.388SS*.Hα-helixtrans-62-50176.1173.8-97.1000111.5E286 R287 L291 Y292 A293E286-Y289 PolarHBondContact O-N 3.36Å; E286-Y289 VanDerWaalsContact O-N 3.15Å; R287-Y289 PolarHBondContact O-N 3Å; Y289-L291 VanDerWaalsContact C-N 3.34Å; Y289-L291 PolarHBondContact O-N 3.33Å; Y289-Y292 PolarHBondContact O-N 3.38Å; Y289-A293 HydrophobicContact CE1-CB 4.41Å; Y289-A293 WeakPolarHBondContact O-CB 3.19Å; Y289-A293 PolarHBondContact O-N 3.42Å
290V95.8Very high94.6Very high2 Ų278.5 Ų78.51%0.01238%0.382CS..Hα-helixtrans-59.6-46.8-179.7174.80000110.7Y247 Y283 E286 R287 Y292 A293 V294Y247-V290 HydrophobicContact CD2-CB 4.47Å; Y247-V290 HydrophobicContact CD2-CG1 4.3Å; Y247-V290 HydrophobicContact CE2-CB 4.15Å; Y247-V290 HydrophobicContact CE2-CG1 4.17Å; Y247-V290 HydrophobicContact CE2-CG2 4.48Å; Y283-V290 HydrophobicContact CD1-CG1 4.21Å; Y283-V290 HydrophobicContact CD2-CG1 3.78Å; Y283-V290 HydrophobicContact CE2-CG1 4.43Å; Y283-V290 HydrophobicContact CG-CG1 3.64Å; E286-V290 WeakPolarHBondContact O-CG2 3.49Å; E286-V290 PolarHBondContact O-N 3.11Å; R287-V290 PolarHBondContact O-N 3.13Å; V290-Y292 PolarHBondContact O-N 3.27Å; V290-A293 PolarHBondContact O-N 3.17Å; V290-V294 HydrophobicContact CG1-CG2 4.19Å; V290-V294 WeakPolarHBondContact O-CB 3.44Å; V290-V294 VanDerWaalsContact O-CG2 3.23Å; V290-V294 WeakPolarHBondContact O-CG2 3.33Å; V290-V294 PolarHBondContact O-N 3.36Å
291L94.7Very high94.8Very high40 Ų4073.9 Ų73.921%0.20936%0.362CS..Hα-helixtrans-57.7-48177.8-72.9-179.9000112Y247 L255 R287 Y289 V295Y247-L291 HydrophobicContact CD2-CD2 4.44Å; Y247-L291 HydrophobicContact CD2-CG 4.49Å; L255-L291 HydrophobicContact CD1-CD2 3.65Å; L255-L291 HydrophobicContact CD2-CD2 3.35Å; L255-L291 HydrophobicContact CG-CD2 4.09Å; R287-L291 HydrophobicContact CG-CD1 3.87Å; R287-L291 HydrophobicContact CG-CG 4.28Å; R287-L291 WeakPolarHBondContact O-CB 3.47Å; R287-L291 WeakPolarHBondContact O-CG 3.5Å; R287-L291 PolarHBondContact O-N 3.4Å; Y289-L291 VanDerWaalsContact C-N 3.34Å; Y289-L291 PolarHBondContact O-N 3.33Å; L291-V295 WeakPolarHBondContact O-CG2 3.41Å; L291-V295 PolarHBondContact O-N 2.75Å
292Y95.2Very high94.9Very high135 Ų13573 Ų7353%0.52937%0.366SS..Hα-helixtrans-62.8-48177.6176.7-108.4000111.5Q288 Y289 V290 V294 V295 A296 Y297Q288-Y292 WeakPolarHBondContact O-CB 3.48Å; Q288-Y292 PolarHBondContact O-N 3.04Å; Y289-Y292 PolarHBondContact O-N 3.38Å; V290-Y292 PolarHBondContact O-N 3.27Å; Y292-V294 PolarHBondContact O-N 3.11Å; Y292-V295 PolarHBondContact O-N 3.3Å; Y292-A296 HydrophobicContact CD2-CB 4.15Å; Y292-A296 HydrophobicContact CE1-CB 4.23Å; Y292-A296 HydrophobicContact CE2-CB 3.78Å; Y292-A296 VanDerWaalsContact O-CB 3.26Å; Y292-A296 WeakPolarHBondContact O-CB 3.46Å; Y292-A296 PolarHBondContact O-N 3.2Å; Y292-Y297 HydrophobicContact CD1-CE2 4.23Å; Y292-Y297 HydrophobicContact CE1-CD2 4.33Å; Y292-Y297 AromaticContact CE1-CE2 3.56Å; Y292-Y297 HydrophobicContact CE1-CE2 3.56Å
293A96.9Very high95Very high2 Ų273.8 Ų73.82%0.01737%0.369CS..Hα-helixtrans-67.2-36.9-176.100000113.3Y289 V290 V295 Y297 N298 L299Y289-A293 HydrophobicContact CE1-CB 4.41Å; Y289-A293 WeakPolarHBondContact O-CB 3.19Å; Y289-A293 PolarHBondContact O-N 3.42Å; V290-A293 PolarHBondContact O-N 3.17Å; A293-V295 VanDerWaalsContact C-N 3.27Å; A293-V295 PolarHBondContact O-N 2.86Å; A293-Y297 HydrophobicContact CB-CD2 4.4Å; A293-Y297 CarbonylContact O-C 3.24Å; A293-Y297 WeakPolarHBondContact O-CA 3.43Å; A293-Y297 PolarHBondContact O-N 2.81Å; A293-N298 PolarHBondContact O-N 2.87Å; A293-L299 HydrophobicContact CB-CB 3.93Å; A293-L299 HydrophobicContact CB-CD2 3.66Å; A293-L299 HydrophobicContact CB-CG 4.4Å; A293-L299 WeakPolarHBondContact O-CB 3.24Å; A293-L299 PolarHBondContact O-N 2.9Å; A293-L299 VanDerWaalsContact O-N 3.07Å
294V96.8Very high94.8Very high5 Ų576.6 Ų76.63%0.0340%0.398CS..Hα-helixtrans-60.8-38.9174.8166.40000111.2P252 L255 Y283 V290 Y292 N298 L299 R300P252-V294 HydrophobicContact CB-CG1 4.47Å; L255-V294 HydrophobicContact CD1-CB 4.39Å; L255-V294 HydrophobicContact CD1-CG1 3.99Å; Y283-V294 HydrophobicContact CE1-CG2 4.09Å; Y283-V294 HydrophobicContact CE2-CG2 4.35Å; V290-V294 HydrophobicContact CG1-CG2 4.19Å; V290-V294 WeakPolarHBondContact O-CB 3.44Å; V290-V294 VanDerWaalsContact O-CG2 3.23Å; V290-V294 WeakPolarHBondContact O-CG2 3.33Å; V290-V294 PolarHBondContact O-N 3.36Å; Y292-V294 PolarHBondContact O-N 3.11Å; V294-N298 WeakPolarHBondContact O-CA 3.38Å; V294-L299 HydrophobicContact CG2-CB 4.38Å; V294-R300 PolarHBondContact O-NH1 2.87Å
295V95.8Very high95Very high49 Ų4970.8 Ų70.830%0.29737%0.371SS..Hα-helixtrans-83.6-48.8-177.3173.60000112.2L255 K256 L291 Y292 A293L255-V295 HydrophobicContact CB-CG2 3.61Å; L255-V295 HydrophobicContact CD1-CG2 3.87Å; L255-V295 HydrophobicContact CG-CG2 4.38Å; K256-V295 HydrophobicContact CD-CG1 4.24Å; K256-V295 HydrophobicContact CG-CG1 3.73Å; K256-V295 HydrophobicContact CG-CG2 4.45Å; L291-V295 WeakPolarHBondContact O-CG2 3.41Å; L291-V295 PolarHBondContact O-N 2.75Å; Y292-V295 PolarHBondContact O-N 3.3Å; A293-V295 VanDerWaalsContact C-N 3.27Å; A293-V295 PolarHBondContact O-N 2.86Å
296A96.5Very high95Very high52 Ų5270.3 Ų70.343%0.4336%0.361SS..Hα-helixtrans-85.1-37.3-171.100000113.3Y292Y292-A296 HydrophobicContact CD2-CB 4.15Å; Y292-A296 HydrophobicContact CE1-CB 4.23Å; Y292-A296 HydrophobicContact CE2-CB 3.78Å; Y292-A296 VanDerWaalsContact O-CB 3.26Å; Y292-A296 WeakPolarHBondContact O-CB 3.46Å; Y292-A296 PolarHBondContact O-N 3.2Å
297Y96.6Very high94.8Very high169 Ų16965.7 Ų65.766%0.66334%0.343SS*.SBendtrans-112.17.8-176.6-60.9-67.2000113.4Y292 A293 L299Y292-Y297 HydrophobicContact CD1-CE2 4.23Å; Y292-Y297 HydrophobicContact CE1-CD2 4.33Å; Y292-Y297 AromaticContact CE1-CE2 3.56Å; Y292-Y297 HydrophobicContact CE1-CE2 3.56Å; A293-Y297 HydrophobicContact CB-CD2 4.4Å; A293-Y297 CarbonylContact O-C 3.24Å; A293-Y297 WeakPolarHBondContact O-CA 3.43Å; A293-Y297 PolarHBondContact O-N 2.81Å; Y297-L299 PolarHBondContact O-N 2.86Å
298N96.8Very high94.8Very high85 Ų8559.8 Ų59.846%0.45532%0.321SS..  trans52.636.1-176.1-166.347.3000112.8A293 V294 R300A293-N298 PolarHBondContact O-N 2.87Å; V294-N298 WeakPolarHBondContact O-CA 3.38Å; N298-R300 PolarHBondContact O-N 3.02Å; N298-R300 PolarHBondContact O-NH1 2.62Å; N298-R300 PolarHBondContact OD1-NH1 3.44Å; N298-R300 PolarHBondContact OD1-NH2 3.05Å
299L97.2Very high94.5Very high58 Ų5855.4 Ų55.430%0.30431%0.307SS..  trans-56.1131-179.1179.866.6000110.8Y283 A293 V294 Y297Y283-L299 HydrophobicContact CD1-CD2 3.98Å; Y283-L299 HydrophobicContact CD1-CG 4.25Å; Y283-L299 HydrophobicContact CE1-CD2 4.2Å; Y283-L299 HydrophobicContact CE1-CG 4.03Å; A293-L299 HydrophobicContact CB-CB 3.93Å; A293-L299 HydrophobicContact CB-CD2 3.66Å; A293-L299 HydrophobicContact CB-CG 4.4Å; A293-L299 WeakPolarHBondContact O-CB 3.24Å; A293-L299 PolarHBondContact O-N 2.9Å; A293-L299 VanDerWaalsContact O-N 3.07Å; V294-L299 HydrophobicContact CG2-CB 4.38Å; Y297-L299 PolarHBondContact O-N 2.86Å
300R97.3Very high94.2Very high37 Ų3756.4 Ų56.414%0.1432%0.317CS..  trans-137.3156.4173.6-63.8-61.5179.7-79.7-11.1110.2Y267 V294 N298 W325Y267-R300 PolarHBondContact OH-NE 2.81Å; V294-R300 PolarHBondContact O-NH1 2.87Å; N298-R300 PolarHBondContact O-N 3.02Å; N298-R300 PolarHBondContact O-NH1 2.62Å; N298-R300 PolarHBondContact OD1-NH1 3.44Å; N298-R300 PolarHBondContact OD1-NH2 3.05Å; R300-W325 HydrophobicContact CB-CD2 4.31Å; R300-W325 HydrophobicContact CB-CE3 4.46Å; R300-W325 HydrophobicContact CB-CH2 4.07Å; R300-W325 HydrophobicContact CB-CZ2 3.87Å; R300-W325 HydrophobicContact CB-CZ3 4.37Å; R300-W325 HydrophobicContact CG-CD2 4.1Å; R300-W325 HydrophobicContact CG-CG 4.36Å; R300-W325 HydrophobicContact CG-CZ2 4.37Å; R300-W325 PolarHBondContact NE-O 2.8Å; R300-W325 PolarHBondContact NH2-O 3.29Å
301P96.9Very high93.9Very high10 Ų1058.1 Ų58.17%0.06533%0.329CS..  trans-55.5149.2168.2-22.631.4000112.2I271 W274 P282 Y283 W325I271-P301 HydrophobicContact CD1-CG 4.07Å; W274-P301 HydrophobicContact CD2-CB 3.44Å; W274-P301 VanDerWaalsContact CD2-CB 3.44Å; W274-P301 HydrophobicContact CD2-CG 4.08Å; W274-P301 HydrophobicContact CE3-CB 3.93Å; W274-P301 HydrophobicContact CE3-CG 4.27Å; W274-P301 HydrophobicContact CG-CB 3.88Å; W274-P301 HydrophobicContact CG-CG 4.4Å; W274-P301 HydrophobicContact CH2-CB 4.06Å; W274-P301 HydrophobicContact CZ2-CB 3.58Å; W274-P301 HydrophobicContact CZ3-CB 4.22Å; P282-P301 HydrophobicContact CB-CG 3.81Å; Y283-P301 HydrophobicContact CE1-CG 4.24Å; P301-W325 HydrophobicContact CB-CH2 4.11Å; P301-W325 HydrophobicContact CB-CZ3 4.05Å; P301-W325 VanDerWaalsContact CD-CZ3 3.45Å; P301-W325 HydrophobicContact CG-CH2 4.31Å; P301-W325 HydrophobicContact CG-CZ3 3.8Å; P301-W325 WeakPolarHBondContact O-CH2 3.25Å
302S95.3Very high93.7Very high77 Ų7761.2 Ų61.254%0.53835%0.351SS..  trans-71.3136.9-177.1-178.60000112W274 A304W274-S302 PolarHBondContact NE1-O 3.14Å; S302-A304 WeakPolarHBondContact OG-CB 3.26Å; S302-A304 PolarHBondContact OG-N 3.44Å
303L95.1Very high93.4Very high25 Ų2555.8 Ų55.813%0.13133%0.332CS..  trans-106.216.9171.9-66.9-177.5000112.8A305 F308 Q318 I321 S322 W325L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 2.97Å; L303-F308 HydrophobicContact CB-CD2 4.39Å; L303-F308 HydrophobicContact CD2-CD2 4.03Å; L303-F308 HydrophobicContact CD2-CE1 4.21Å; L303-F308 HydrophobicContact CD2-CE2 3.63Å; L303-F308 HydrophobicContact CD2-CG 4.47Å; L303-F308 HydrophobicContact CD2-CZ 3.74Å; L303-Q318 HydrophobicContact CB-CG 3.96Å; L303-Q318 HydrophobicContact CD1-CG 3.63Å; L303-Q318 HydrophobicContact CD2-CG 4.43Å; L303-Q318 HydrophobicContact CG-CG 4.23Å; L303-Q318 PolarHBondContact O-NE2 3.13Å; L303-Q318 VanDerWaalsContact O-NE2 3.08Å; L303-I321 HydrophobicContact CD1-CG2 4.45Å; L303-I321 HydrophobicContact CD2-CD1 4.26Å; L303-I321 HydrophobicContact CD2-CG2 4.14Å; L303-S322 WeakPolarHBondContact CD1-OG 3.36Å; L303-W325 HydrophobicContact CD1-CH2 4.3Å; L303-W325 HydrophobicContact CD1-CZ2 3.68Å; L303-W325 HydrophobicContact CD2-CH2 3.96Å; L303-W325 HydrophobicContact CD2-CZ2 4.19Å; L303-W325 HydrophobicContact CG-CH2 3.96Å; L303-W325 HydrophobicContact CG-CZ2 3.77Å
304A92.5Very high93.2Very high82 Ų8255.7 Ų55.768%0.67833%0.331SS*.  trans-82-5.8-17700000114S302S302-A304 WeakPolarHBondContact OG-CB 3.26Å; S302-A304 PolarHBondContact OG-N 3.44Å
305A91.4Very high93.1Very high27 Ų2760.4 Ų60.422%0.22335%0.353CS..SBendtrans-66.4144.7-17800000112.2M278 L303 V307 F308M278-A305 HydrophobicContact CE-CB 3.46Å; M278-A305 VanDerWaalsContact CE-CB 3.46Å; M278-A305 HydrophobicContact SD-CB 3.51Å; M278-A305 VanDerWaalsContact SD-CB 3.51Å; L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 2.97Å; A305-V307 HydrophobicContact CB-CG1 4.11Å; A305-V307 PolarHBondContact O-N 3.47Å; A305-V307 VanDerWaalsContact O-N 3.11Å; A305-F308 HydrophobicContact CB-CD2 4.25Å; A305-F308 PolarHBondContact O-N 2.99Å
306A88.9Confident93Very high51 Ų5162.4 Ų62.442%0.42136%0.357SS..Hα-helixtrans-50.3-38.4-177.900000113.8F308 C309 E310A306-F308 PolarHBondContact O-N 2.9Å; A306-C309 PolarHBondContact O-N 2.92Å; A306-E310 HydrophobicContact CB-CG 4.19Å; A306-E310 WeakPolarHBondContact CB-OE1 3.45Å; A306-E310 WeakPolarHBondContact O-CB 3.42Å; A306-E310 WeakPolarHBondContact O-CG 3.17Å; A306-E310 PolarHBondContact O-N 2.9Å
307V89.3Confident92.9Very high49 Ų4959.9 Ų59.930%0.29734%0.337SS..Hα-helixtrans-54.2-28.7177.967.60000114M179 V277 M278 A305 G314M179-V307 HydrophobicContact CE-CG2 3.85Å; V277-V307 HydrophobicContact CG1-CB 4.33Å; V277-V307 HydrophobicContact CG1-CG1 3.53Å; V277-V307 HydrophobicContact CG1-CG2 3.81Å; M278-V307 HydrophobicContact SD-CG1 3.89Å; A305-V307 HydrophobicContact CB-CG1 4.11Å; A305-V307 PolarHBondContact O-N 3.47Å; A305-V307 VanDerWaalsContact O-N 3.11Å; V307-G314 VanDerWaalsContact O-CA 3.28Å; V307-G314 WeakPolarHBondContact O-CA 3.21Å
308F91.6Very high92.8Very high1 Ų154.5 Ų54.50%0.00432%0.318CS..Hα-helixtrans-87-19.2177.9-67.3-59000113.7V277 M278 L303 A305 A306 G314 Q315 Q318 I321V277-F308 HydrophobicContact CB-CE1 4.22Å; V277-F308 HydrophobicContact CB-CZ 3.98Å; V277-F308 HydrophobicContact CG1-CE1 3.71Å; V277-F308 HydrophobicContact CG1-CE2 4.27Å; V277-F308 HydrophobicContact CG1-CZ 3.57Å; V277-F308 HydrophobicContact CG2-CE1 4.29Å; V277-F308 HydrophobicContact CG2-CZ 4.48Å; M278-F308 HydrophobicContact CG-CE2 3.95Å; M278-F308 HydrophobicContact CG-CZ 4.24Å; M278-F308 HydrophobicContact SD-CD2 4.37Å; M278-F308 HydrophobicContact SD-CE2 3.62Å; M278-F308 HydrophobicContact SD-CZ 4.3Å; L303-F308 HydrophobicContact CB-CD2 4.39Å; L303-F308 HydrophobicContact CD2-CD2 4.03Å; L303-F308 HydrophobicContact CD2-CE1 4.21Å; L303-F308 HydrophobicContact CD2-CE2 3.63Å; L303-F308 HydrophobicContact CD2-CG 4.47Å; L303-F308 HydrophobicContact CD2-CZ 3.74Å; A305-F308 HydrophobicContact CB-CD2 4.25Å; A305-F308 PolarHBondContact O-N 2.99Å; A306-F308 PolarHBondContact O-N 2.9Å; F308-G314 CarbonylContact O-C 3.53Å; F308-G314 VanDerWaalsContact O-C 3.24Å; F308-Q315 WeakPolarHBondContact O-CA 3.43Å; F308-Q315 VanDerWaalsContact O-CG 3.28Å; F308-Q315 WeakPolarHBondContact O-CG 3.36Å; F308-Q315 PolarHBondContact O-N 3.28Å; F308-Q318 HydrophobicContact CB-CB 3.98Å; F308-Q318 HydrophobicContact CB-CG 4.01Å; F308-Q318 HydrophobicContact CD1-CB 3.86Å; F308-Q318 HydrophobicContact CD1-CG 4.33Å; F308-Q318 HydrophobicContact CG-CB 4.17Å; F308-Q318 HydrophobicContact CG-CG 4.23Å; F308-I321 HydrophobicContact CE1-CD1 3.63Å; F308-I321 HydrophobicContact CZ-CD1 3.89Å
309C88.9Confident92.8Very high65 Ų6553.3 Ų53.344%0.43932%0.316SS..Hα-helixtrans-107.7-33.3-172.1-62.70000112.9A306 S311 Q315A306-C309 PolarHBondContact O-N 2.92Å; C309-S311 PolarHBondContact O-N 3.29Å; C309-Q315 PolarHBondContact O-NE2 2.82Å
310E88.7Confident92.7Very high164 Ų16450.9 Ų50.977%0.76630%0.303SS*.SBendtrans-80.3-16.3-168.5-70.2179.7167.300114.5A306A306-E310 HydrophobicContact CB-CG 4.19Å; A306-E310 WeakPolarHBondContact CB-OE1 3.45Å; A306-E310 WeakPolarHBondContact O-CB 3.42Å; A306-E310 WeakPolarHBondContact O-CG 3.17Å; A306-E310 PolarHBondContact O-N 2.9Å
311S89.4Confident92.7Very high38 Ų3849.1 Ų49.127%0.26630%0.297SS..SBendtrans-130.9147.5-179.771.30000112.5C309 V313 G314 Q315C309-S311 PolarHBondContact O-N 3.29Å; S311-V313 PolarHBondContact O-N 2.84Å; S311-G314 PolarHBondContact O-N 3.27Å; S311-G314 VanDerWaalsContact O-N 3.11Å; S311-G314 PolarHBondContact OG-N 2.73Å; S311-Q315 WeakPolarHBondContact O-CG 3.41Å; S311-Q315 PolarHBondContact O-N 3.47Å
312P90.1Very high92.7Very high105 Ų10550.8 Ų50.868%0.68231%0.308SS*.Hα-helixtrans-57.6-35.4174.4-25.434.4000113K316P312-K316 WeakPolarHBondContact O-CB 3.39Å; P312-K316 PolarHBondContact O-N 3.32Å
313V90.3Very high92.8Very high20 Ų2049.1 Ų49.112%0.12130%0.296CS..Hα-helixtrans-66.9-45.6176.2179.70000110.5M179 V183 S311 Q315 K316 L317 L345 L349M179-V313 HydrophobicContact CG-CB 4.41Å; M179-V313 HydrophobicContact CG-CG1 3.59Å; M179-V313 HydrophobicContact SD-CG1 4.03Å; V183-V313 HydrophobicContact CG2-CG1 4.41Å; S311-V313 PolarHBondContact O-N 2.84Å; V313-Q315 PolarHBondContact O-N 3.33Å; V313-K316 PolarHBondContact O-N 3.34Å; V313-L317 HydrophobicContact CG1-CD1 4.47Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 3.25Å; V313-L345 HydrophobicContact CB-CD2 4.32Å; V313-L345 HydrophobicContact CG1-CD2 3.92Å; V313-L345 HydrophobicContact CG2-CD2 4.37Å; V313-L349 HydrophobicContact CG1-CD1 4.23Å; V313-L349 HydrophobicContact CG1-CD2 4.34Å; V313-L349 HydrophobicContact CG1-CG 4.47Å; V313-L349 HydrophobicContact CG2-CD2 3.93Å; V313-L349 HydrophobicContact CG2-CG 4.28Å
314G92.1Very high92.9Very high0 Ų048 Ų480%029%0.291CS..Hα-helixtrans-57-46.617400000112.8V307 F308 S311 K316 L317 Q318V307-G314 VanDerWaalsContact O-CA 3.28Å; V307-G314 WeakPolarHBondContact O-CA 3.21Å; F308-G314 CarbonylContact O-C 3.53Å; F308-G314 VanDerWaalsContact O-C 3.24Å; S311-G314 PolarHBondContact O-N 3.27Å; S311-G314 VanDerWaalsContact O-N 3.11Å; S311-G314 PolarHBondContact OG-N 2.73Å; G314-K316 VanDerWaalsContact C-N 3.31Å; G314-K316 PolarHBondContact O-N 3.15Å; G314-L317 PolarHBondContact O-N 3.45Å; G314-Q318 WeakPolarHBondContact O-CB 3.12Å; G314-Q318 PolarHBondContact O-N 3.18Å
315Q93.5Very high93.2Very high104 Ų10445 Ų4549%0.48626%0.262SS..Hα-helixtrans-63.2-38.6177.5-68.7172.712.200111.5F308 C309 S311 V313 Q318 S319F308-Q315 WeakPolarHBondContact O-CA 3.43Å; F308-Q315 VanDerWaalsContact O-CG 3.28Å; F308-Q315 WeakPolarHBondContact O-CG 3.36Å; F308-Q315 PolarHBondContact O-N 3.28Å; C309-Q315 PolarHBondContact O-NE2 2.82Å; S311-Q315 WeakPolarHBondContact O-CG 3.41Å; S311-Q315 PolarHBondContact O-N 3.47Å; V313-Q315 PolarHBondContact O-N 3.33Å; Q315-Q318 WeakPolarHBondContact O-CB 3.33Å; Q315-Q318 PolarHBondContact O-N 3.39Å; Q315-S319 WeakPolarHBondContact O-CB 3.29Å; Q315-S319 PolarHBondContact O-N 2.89Å
316K93.9Very high93.5Very high91 Ų9147.3 Ų47.340%0.39627%0.267SS..Hα-helixtrans-67.5-40.9175.5-167.768.6173.7-176.10111.9P312 V313 G314 S319 I320 L345P312-K316 WeakPolarHBondContact O-CB 3.39Å; P312-K316 PolarHBondContact O-N 3.32Å; V313-K316 PolarHBondContact O-N 3.34Å; G314-K316 VanDerWaalsContact C-N 3.31Å; G314-K316 PolarHBondContact O-N 3.15Å; K316-S319 WeakPolarHBondContact O-CB 3.02Å; K316-S319 PolarHBondContact O-N 3.05Å; K316-I320 HydrophobicContact CG-CD1 4.29Å; K316-I320 VanDerWaalsContact O-CG1 3.31Å; K316-I320 WeakPolarHBondContact O-CG1 3.45Å; K316-I320 PolarHBondContact O-N 2.87Å; K316-L345 HydrophobicContact CB-CD1 4.19Å; K316-L345 HydrophobicContact CB-CD2 3.59Å; K316-L345 HydrophobicContact CB-CG 4.33Å; K316-L345 HydrophobicContact CG-CD1 3.79Å; K316-L345 HydrophobicContact CG-CD2 3.65Å; K316-L345 HydrophobicContact CG-CG 3.91Å
317L94.4Very high93.8Very high0 Ų047.3 Ų47.30%027%0.267CS..Hα-helixtrans-61.9-43.8173.8-72.4175.8000111.3M179 T182 L273 V277 V313 G314 S319 I320 I321 L345M179-L317 HydrophobicContact CE-CD1 4.39Å; M179-L317 HydrophobicContact SD-CD1 3.4Å; M179-L317 WeakPolarHBondContact SD-CD1 3.45Å; T182-L317 HydrophobicContact CG2-CD1 4.45Å; L273-L317 HydrophobicContact CD1-CD2 4.45Å; L273-L317 HydrophobicContact CD2-CD2 4.34Å; V277-L317 HydrophobicContact CG2-CD1 4.29Å; V313-L317 HydrophobicContact CG1-CD1 4.47Å; V313-L317 WeakPolarHBondContact O-CG 3.44Å; V313-L317 PolarHBondContact O-N 3.25Å; G314-L317 PolarHBondContact O-N 3.45Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.31Å; L317-I320 PolarHBondContact O-N 3.14Å; L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.41Å; L317-I321 PolarHBondContact O-N 3.07Å; L317-L345 HydrophobicContact CD2-CD1 3.94Å; L317-L345 HydrophobicContact CG-CD1 4.34Å
318Q95.8Very high94.1Very high56 Ų5648.6 Ų48.626%0.26227%0.272SS..Hα-helixtrans-56.4-45.9174.9-165.9-167.333.400111.7L303 F308 G314 Q315 I321 S322L303-Q318 HydrophobicContact CB-CG 3.96Å; L303-Q318 HydrophobicContact CD1-CG 3.63Å; L303-Q318 HydrophobicContact CD2-CG 4.43Å; L303-Q318 HydrophobicContact CG-CG 4.23Å; L303-Q318 PolarHBondContact O-NE2 3.13Å; L303-Q318 VanDerWaalsContact O-NE2 3.08Å; F308-Q318 HydrophobicContact CB-CB 3.98Å; F308-Q318 HydrophobicContact CB-CG 4.01Å; F308-Q318 HydrophobicContact CD1-CB 3.86Å; F308-Q318 HydrophobicContact CD1-CG 4.33Å; F308-Q318 HydrophobicContact CG-CB 4.17Å; F308-Q318 HydrophobicContact CG-CG 4.23Å; G314-Q318 WeakPolarHBondContact O-CB 3.12Å; G314-Q318 PolarHBondContact O-N 3.18Å; Q315-Q318 WeakPolarHBondContact O-CB 3.33Å; Q315-Q318 PolarHBondContact O-N 3.39Å; Q318-I321 PolarHBondContact O-N 3.03Å; Q318-S322 VanDerWaalsContact O-CB 3.28Å; Q318-S322 WeakPolarHBondContact O-CB 3.12Å; Q318-S322 PolarHBondContact O-N 3.48Å; Q318-S322 PolarHBondContact O-OG 3.44Å
319S95.7Very high94.3Very high60 Ų6049.6 Ų49.642%0.4228%0.278SS..Hα-helixtrans-61.3-46.1175.8178.50000111.6Q315 K316 L317 S322 C323Q315-S319 WeakPolarHBondContact O-CB 3.29Å; Q315-S319 PolarHBondContact O-N 2.89Å; K316-S319 WeakPolarHBondContact O-CB 3.02Å; K316-S319 PolarHBondContact O-N 3.05Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.31Å; S319-S322 PolarHBondContact O-N 2.76Å; S319-C323 PolarHBondContact O-N 3.02Å; S319-C323 PolarHBondContact O-SG 3.46Å; S319-C323 VanDerWaalsContact O-SG 3.36Å
320I96.2Very high94.5Very high7 Ų753.8 Ų53.84%0.03629%0.291CS..Hα-helixtrans-60.7-50.1177.7-70.3168.8000110.9L273 K316 L317 S322 C323 C324 L338 L342 L345L273-I320 HydrophobicContact CD2-CG2 4.29Å; K316-I320 HydrophobicContact CG-CD1 4.29Å; K316-I320 VanDerWaalsContact O-CG1 3.31Å; K316-I320 WeakPolarHBondContact O-CG1 3.45Å; K316-I320 PolarHBondContact O-N 2.87Å; L317-I320 PolarHBondContact O-N 3.14Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 2.8Å; I320-C323 PolarHBondContact O-N 3.47Å; I320-C324 WeakPolarHBondContact O-CB 3.27Å; I320-C324 PolarHBondContact O-N 3.3Å; I320-C324 PolarHBondContact O-SG 3.12Å; I320-L338 HydrophobicContact CG2-CD2 4.46Å; I320-L342 HydrophobicContact CD1-CD2 3.78Å; I320-L342 HydrophobicContact CD1-CG 4.29Å; I320-L342 HydrophobicContact CG2-CD2 4.46Å; I320-L345 HydrophobicContact CD1-CD1 3.71Å
321I97.6Very high94.9Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-56.9-48.1177.8-66.4165.8000109.8A270 L273 W274 L303 F308 L317 Q318 C323 C324 W325A270-I321 HydrophobicContact CB-CG2 4.4Å; L273-I321 HydrophobicContact CB-CG1 4.34Å; L273-I321 HydrophobicContact CD2-CD1 4.31Å; L273-I321 HydrophobicContact CD2-CG1 3.67Å; L273-I321 HydrophobicContact CG-CD1 4.02Å; L273-I321 HydrophobicContact CG-CG1 3.83Å; W274-I321 HydrophobicContact CB-CD1 4.42Å; L303-I321 HydrophobicContact CD1-CG2 4.45Å; L303-I321 HydrophobicContact CD2-CD1 4.26Å; L303-I321 HydrophobicContact CD2-CG2 4.14Å; F308-I321 HydrophobicContact CE1-CD1 3.63Å; F308-I321 HydrophobicContact CZ-CD1 3.89Å; L317-I321 VanDerWaalsContact O-CG1 3.29Å; L317-I321 WeakPolarHBondContact O-CG1 3.41Å; L317-I321 PolarHBondContact O-N 3.07Å; Q318-I321 PolarHBondContact O-N 3.03Å; I321-C323 VanDerWaalsContact C-N 3.34Å; I321-C323 PolarHBondContact O-N 3.06Å; I321-C324 PolarHBondContact O-N 3.24Å; I321-C324 VanDerWaalsContact O-N 3.09Å; I321-W325 HydrophobicContact CG2-CD2 3.75Å; I321-W325 HydrophobicContact CG2-CE3 3.64Å; I321-W325 HydrophobicContact CG2-CH2 3.6Å; I321-W325 HydrophobicContact CG2-CZ2 3.72Å; I321-W325 HydrophobicContact CG2-CZ3 3.54Å; I321-W325 VanDerWaalsContact O-CD1 3.24Å; I321-W325 PolarHBondContact O-N 3.47Å; I321-W325 VanDerWaalsContact O-N 3.15Å
322S96.9Very high95.2Very high44 Ų4448.9 Ų48.931%0.30826%0.264SS..Hα-helixtrans-58-42.9-179.8-63.40000113.1L303 Q318 S319 I320 W325 K326L303-S322 WeakPolarHBondContact CD1-OG 3.36Å; Q318-S322 VanDerWaalsContact O-CB 3.28Å; Q318-S322 WeakPolarHBondContact O-CB 3.12Å; Q318-S322 PolarHBondContact O-N 3.48Å; Q318-S322 PolarHBondContact O-OG 3.44Å; S319-S322 PolarHBondContact O-N 2.76Å; I320-S322 VanDerWaalsContact C-N 3.3Å; I320-S322 PolarHBondContact O-N 2.8Å; S322-W325 VanDerWaalsContact O-CD1 3.29Å; S322-K326 WeakPolarHBondContact O-CG 3.26Å
323C96.1Very high95.5Very high43 Ų4347.1 Ų47.129%0.29125%0.248SC..Hα-helixtrans-69.7-33.5176.5-70.80000112.8S319 I320 I321S319-C323 PolarHBondContact O-N 3.02Å; S319-C323 PolarHBondContact O-SG 3.46Å; S319-C323 VanDerWaalsContact O-SG 3.36Å; I320-C323 PolarHBondContact O-N 3.47Å; I321-C323 VanDerWaalsContact C-N 3.34Å; I321-C323 PolarHBondContact O-N 3.06Å
324C97.9Very high95.7Very high1 Ų147.9 Ų47.91%0.00726%0.255CS..Hα-helixtrans-78-29.9-174.3-68.40000113.6I266 Y267 A270 I320 I321 R332 L338I266-C324 HydrophobicContact CG2-CB 3.77Å; Y267-C324 WeakPolarHBondContact CA-O 3.42Å; A270-C324 HydrophobicContact CB-CB 3.55Å; I320-C324 WeakPolarHBondContact O-CB 3.27Å; I320-C324 PolarHBondContact O-N 3.3Å; I320-C324 PolarHBondContact O-SG 3.12Å; I321-C324 PolarHBondContact O-N 3.24Å; I321-C324 VanDerWaalsContact O-N 3.09Å; C324-R332 VanDerWaalsContact O-CD 3.26Å; C324-R332 WeakPolarHBondContact O-CD 3.02Å; C324-L338 WeakPolarHBondContact SG-CD1 3.19Å
325W97.7Very high95.9Very high19 Ų1947.9 Ų47.97%0.07226%0.255CS..THydrogen-bonded Turntrans-104.919.9-176.766.311.9000115.5Y267 A270 I271 W274 R300 P301 L303 I321 S322Y267-W325 HydrophobicContact CD2-CB 3.82Å; Y267-W325 HydrophobicContact CE2-CB 3.8Å; Y267-W325 WeakPolarHBondContact CE2-O 3.37Å; A270-W325 HydrophobicContact CB-CB 3.76Å; A270-W325 HydrophobicContact CB-CD2 4.48Å; A270-W325 HydrophobicContact CB-CE3 4.27Å; A270-W325 HydrophobicContact CB-CG 4.3Å; I271-W325 HydrophobicContact CD1-CE3 3.75Å; I271-W325 HydrophobicContact CD1-CZ3 4.15Å; W274-W325 HydrophobicContact CB-CZ3 4.3Å; W274-W325 HydrophobicContact CG-CZ3 4.32Å; R300-W325 HydrophobicContact CB-CD2 4.31Å; R300-W325 HydrophobicContact CB-CE3 4.46Å; R300-W325 HydrophobicContact CB-CH2 4.07Å; R300-W325 HydrophobicContact CB-CZ2 3.87Å; R300-W325 HydrophobicContact CB-CZ3 4.37Å; R300-W325 HydrophobicContact CG-CD2 4.1Å; R300-W325 HydrophobicContact CG-CG 4.36Å; R300-W325 HydrophobicContact CG-CZ2 4.37Å; R300-W325 PolarHBondContact NE-O 2.8Å; R300-W325 PolarHBondContact NH2-O 3.29Å; P301-W325 HydrophobicContact CB-CH2 4.11Å; P301-W325 HydrophobicContact CB-CZ3 4.05Å; P301-W325 VanDerWaalsContact CD-CZ3 3.45Å; P301-W325 HydrophobicContact CG-CH2 4.31Å; P301-W325 HydrophobicContact CG-CZ3 3.8Å; P301-W325 WeakPolarHBondContact O-CH2 3.25Å; L303-W325 HydrophobicContact CD1-CH2 4.3Å; L303-W325 HydrophobicContact CD1-CZ2 3.68Å; L303-W325 HydrophobicContact CD2-CH2 3.96Å; L303-W325 HydrophobicContact CD2-CZ2 4.19Å; L303-W325 HydrophobicContact CG-CH2 3.96Å; L303-W325 HydrophobicContact CG-CZ2 3.77Å; I321-W325 HydrophobicContact CG2-CD2 3.75Å; I321-W325 HydrophobicContact CG2-CE3 3.64Å; I321-W325 HydrophobicContact CG2-CH2 3.6Å; I321-W325 HydrophobicContact CG2-CZ2 3.72Å; I321-W325 HydrophobicContact CG2-CZ3 3.54Å; I321-W325 VanDerWaalsContact O-CD1 3.24Å; I321-W325 PolarHBondContact O-N 3.47Å; I321-W325 VanDerWaalsContact O-N 3.15Å; S322-W325 VanDerWaalsContact O-CD1 3.29Å
326K97.7Very high96Very high75 Ų7546.1 Ų46.133%0.32626%0.258SS..  trans-56.1145.3175.2-71.2-174.7158.7-156.70111.5S322 E331 R332S322-K326 WeakPolarHBondContact O-CG 3.26Å; K326-E331 HydrophobicContact CB-CB 4.47Å; K326-E331 HydrophobicContact CD-CB 3.54Å; K326-E331 WeakPolarHBondContact CD-OE2 3.33Å; K326-E331 IonicContact NZ-OE2 2.71Å; K326-E331 PolarHBondContact NZ-OE2 3.3Å; K326-R332 HydrophobicContact CB-CG 4.23Å; K326-R332 VanDerWaalsContact O-CZ 3.3Å; K326-R332 PolarHBondContact O-NE 3.43Å; K326-R332 PolarHBondContact O-NH2 3.26Å
327A95.4Very high96Very high51 Ų5147.1 Ų47.142%0.42126%0.264SS..SBendtrans-62.9-45.9179.200000111.6R332A327-R332 PolarHBondContact O-NH2 3Å; A327-R332 VanDerWaalsContact O-NH2 3.17Å
328N95.6Very high96.1Very high77 Ų7747.2 Ų47.241%0.41227%0.265SS..SBendtrans-72127.5177.2-172-5.1000111.2E330 E331N328-E330 PolarHBondContact OD1-N 2.77Å; N328-E331 HydrophobicContact CB-CB 4.36Å; N328-E331 HydrophobicContact CB-CG 4.04Å; N328-E331 WeakPolarHBondContact CB-OE1 3.28Å; N328-E331 PolarHBondContact ND2-OE1 2.82Å; N328-E331 VanDerWaalsContact ND2-OE1 3.08Å
329V95.3Very high96Very high21 Ų2145.4 Ų45.413%0.12726%0.257CS..SBendtrans-67.2-37.9-178-179.70000111.7E253 T261 K263 E331 R332E253-V329 HydrophobicContact CB-CG2 3.96Å; E253-V329 HydrophobicContact CG-CG2 3.78Å; T261-V329 HydrophobicContact CG2-CG1 4.38Å; K263-V329 HydrophobicContact CB-CG1 3.79Å; K263-V329 HydrophobicContact CG-CG1 4.06Å; V329-E331 VanDerWaalsContact C-N 3.26Å; V329-E331 PolarHBondContact O-N 3.06Å; V329-R332 PolarHBondContact O-N 3.5Å
330E94.7Very high95.9Very high154 Ų15446.5 Ų46.572%0.7226%0.262SS*.THydrogen-bonded Turntrans-68.7-27.8-176.8-61.4-5214100112.4N328 R332N328-E330 PolarHBondContact OD1-N 2.77Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 3.06Å
331E95.6Very high95.7Very high97 Ų9748 Ų4845%0.45327%0.273SS..THydrogen-bonded Turntrans-80-13.2178.7-66.6178.2-139.400113.8K326 N328 V329K326-E331 HydrophobicContact CB-CB 4.47Å; K326-E331 HydrophobicContact CD-CB 3.54Å; K326-E331 WeakPolarHBondContact CD-OE2 3.33Å; K326-E331 IonicContact NZ-OE2 2.71Å; K326-E331 PolarHBondContact NZ-OE2 3.3Å; N328-E331 HydrophobicContact CB-CB 4.36Å; N328-E331 HydrophobicContact CB-CG 4.04Å; N328-E331 WeakPolarHBondContact CB-OE1 3.28Å; N328-E331 PolarHBondContact ND2-OE1 2.82Å; N328-E331 VanDerWaalsContact ND2-OE1 3.08Å; V329-E331 VanDerWaalsContact C-N 3.26Å; V329-E331 PolarHBondContact O-N 3.06Å
332R96.9Very high95.4Very high2 Ų248 Ų481%0.00827%0.273CS..SBendtrans-78.4135.4176.1-62.5178.5-155.2152.414109E253 K263 C324 K326 A327 V329 E330E253-R332 IonicContact OE1-CZ 3.62Å; E253-R332 IonicContact OE1-NH1 3.77Å; E253-R332 PolarHBondContact OE1-NH1 2.93Å; E253-R332 IonicContact OE1-NH2 3.67Å; E253-R332 IonicContact OE2-CZ 2.71Å; E253-R332 IonicContact OE2-NH1 3.91Å; E253-R332 PolarHBondContact OE2-NH1 2.83Å; E253-R332 IonicContact OE2-NH2 3.57Å; E253-R332 PolarHBondContact OE2-NH2 3.35Å; K263-R332 HydrophobicContact CB-CB 4.41Å; K263-R332 HydrophobicContact CD-CB 4.15Å; K263-R332 WeakPolarHBondContact CD-O 3.46Å; K263-R332 VanDerWaalsContact CE-O 3.22Å; K263-R332 WeakPolarHBondContact CE-O 3.33Å; K263-R332 PolarHBondContact NZ-O 2.88Å; K263-R332 PolarHBondContact O-NH1 3.5Å; C324-R332 VanDerWaalsContact O-CD 3.26Å; C324-R332 WeakPolarHBondContact O-CD 3.02Å; K326-R332 HydrophobicContact CB-CG 4.23Å; K326-R332 VanDerWaalsContact O-CZ 3.3Å; K326-R332 PolarHBondContact O-NE 3.43Å; K326-R332 PolarHBondContact O-NH2 3.26Å; A327-R332 PolarHBondContact O-NH2 3Å; A327-R332 VanDerWaalsContact O-NH2 3.17Å; V329-R332 PolarHBondContact O-N 3.5Å; E330-R332 VanDerWaalsContact C-N 3.32Å; E330-R332 PolarHBondContact O-N 3.06Å
333L95.3Very high95.2Very high67 Ų6752.4 Ų52.435%0.35128%0.283SS..PPolyproline II helixtrans-70.7156.2172.8-64.1176.8000111.1K263 Q337 L338K263-L333 WeakPolarHBondContact CD-O 3.49Å; L333-Q337 HydrophobicContact CB-CB 4.2Å; L333-L338 HydrophobicContact CB-CD1 4.21Å; L333-L338 HydrophobicContact CB-CD2 3.98Å; L333-L338 HydrophobicContact CB-CG 3.75Å; L333-L338 HydrophobicContact CD1-CD2 3.77Å; L333-L338 HydrophobicContact CD1-CG 4.34Å; L333-L338 HydrophobicContact CG-CD2 4.47Å
334S96.3Very high94.9Very high36 Ų3653.8 Ų53.825%0.25229%0.293SS..PPolyproline II helixtrans-76.7162.7170.9750000111.4A336 Q337 L338S334-A336 VanDerWaalsContact C-N 3.25Å; S334-A336 PolarHBondContact O-N 3.26Å; S334-Q337 PolarHBondContact O-N 3.44Å; S334-Q337 VanDerWaalsContact O-N 3.12Å; S334-Q337 WeakPolarHBondContact OG-CG 3.2Å; S334-Q337 PolarHBondContact OG-N 3.44Å; S334-Q337 PolarHBondContact OG-OE1 3.47Å; S334-L338 PolarHBondContact O-N 2.79Å; S334-L338 VanDerWaalsContact O-N 3.08Å
335A95.9Very high94.4Very high1 Ų154 Ų541%0.00830%0.295CS..Hα-helixtrans-56.4-41.9176.200000112.1M190 L193 A194 I266 Q337 L338 L339M190-A335 WeakPolarHBondContact SD-CA 3.33Å; M190-A335 HydrophobicContact SD-CB 3.59Å; M190-A335 VanDerWaalsContact SD-CB 3.59Å; L193-A335 HydrophobicContact CB-CB 4.19Å; A194-A335 HydrophobicContact CB-CB 3.84Å; I266-A335 HydrophobicContact CD1-CB 3.83Å; A335-Q337 VanDerWaalsContact C-N 3.32Å; A335-Q337 PolarHBondContact O-N 2.89Å; A335-L338 PolarHBondContact O-N 3.32Å; A335-L339 PolarHBondContact O-N 3.28Å; A335-L339 VanDerWaalsContact O-N 3.11Å
336A94.6Very high93.7Very high67 Ų6757.9 Ų57.955%0.55431%0.312SS*.Hα-helixtrans-63.6-35.3178.400000112.9S334 P340S334-A336 VanDerWaalsContact C-N 3.25Å; S334-A336 PolarHBondContact O-N 3.26Å; A336-P340 VanDerWaalsContact O-CD 3.3Å; A336-P340 WeakPolarHBondContact O-CD 3.45Å
337Q95.2Very high92.5Very high111 Ų11157.4 Ų57.452%0.51933%0.328SS..Hα-helixtrans-75.1-31.1177.8-71.4170.3-39.600112.7L333 S334 A335L333-Q337 HydrophobicContact CB-CB 4.2Å; S334-Q337 PolarHBondContact O-N 3.44Å; S334-Q337 VanDerWaalsContact O-N 3.12Å; S334-Q337 WeakPolarHBondContact OG-CG 3.2Å; S334-Q337 PolarHBondContact OG-N 3.44Å; S334-Q337 PolarHBondContact OG-OE1 3.47Å; A335-Q337 VanDerWaalsContact C-N 3.32Å; A335-Q337 PolarHBondContact O-N 2.89Å
338L94.9Very high91.2Very high3 Ų360.6 Ų60.62%0.01634%0.338CS..Hα-helixtrans-78.9-30.1179.7-74.2165.5000113.2M190 I266 I320 C324 L333 S334 A335 S341 L342M190-L338 HydrophobicContact CE-CB 4.14Å; M190-L338 HydrophobicContact CE-CD1 3.86Å; M190-L338 HydrophobicContact CG-CB 4.44Å; M190-L338 HydrophobicContact SD-CB 4.2Å; M190-L338 HydrophobicContact SD-CD1 4.38Å; I266-L338 HydrophobicContact CD1-CD1 4.37Å; I266-L338 HydrophobicContact CG2-CD1 3.68Å; I320-L338 HydrophobicContact CG2-CD2 4.46Å; C324-L338 WeakPolarHBondContact SG-CD1 3.19Å; L333-L338 HydrophobicContact CB-CD1 4.21Å; L333-L338 HydrophobicContact CB-CD2 3.98Å; L333-L338 HydrophobicContact CB-CG 3.75Å; L333-L338 HydrophobicContact CD1-CD2 3.77Å; L333-L338 HydrophobicContact CD1-CG 4.34Å; L333-L338 HydrophobicContact CG-CD2 4.47Å; S334-L338 PolarHBondContact O-N 2.79Å; S334-L338 VanDerWaalsContact O-N 3.08Å; A335-L338 PolarHBondContact O-N 3.32Å; L338-S341 WeakPolarHBondContact O-CB 3.38Å; L338-S341 PolarHBondContact O-N 3.39Å; L338-L342 PolarHBondContact O-N 3.15Å; L338-L342 VanDerWaalsContact O-N 3.17Å
339L93.8Very high89.8Confident18 Ų1861.8 Ų61.89%0.09434%0.344CS..Hα-helixtrans-57.7-42.7-172.4-164.868.2000114.4M190 T191 A335 S341 L342 R343M190-L339 HydrophobicContact CB-CD1 3.79Å; M190-L339 HydrophobicContact CG-CB 4.31Å; M190-L339 HydrophobicContact CG-CD1 3.75Å; T191-L339 WeakPolarHBondContact OG1-CD1 3.49Å; A335-L339 PolarHBondContact O-N 3.28Å; A335-L339 VanDerWaalsContact O-N 3.11Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 3Å; L339-L342 PolarHBondContact O-N 3.03Å; L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 2.9Å
340P93.9Very high89.5Confident82 Ų8263.8 Ų63.853%0.53235%0.354SS..Hα-helixtrans-60.7-38174.9-23.834.9000113.1A336 R343 S344A336-P340 VanDerWaalsContact O-CD 3.3Å; A336-P340 WeakPolarHBondContact O-CD 3.45Å; P340-R343 PolarHBondContact O-N 3.44Å; P340-S344 WeakPolarHBondContact O-CB 3.26Å; P340-S344 PolarHBondContact O-N 3.18Å
341S92.4Very high89.2Confident39 Ų3959.1 Ų59.127%0.27334%0.335SS..Hα-helixtrans-66.1-40.4179.2-66.80000111.9L338 L339 L345L338-S341 WeakPolarHBondContact O-CB 3.38Å; L338-S341 PolarHBondContact O-N 3.39Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 3Å; S341-L345 PolarHBondContact O-N 3.4Å
342L91.5Very high88.9Confident0 Ų056.9 Ų56.90%033%0.329CS..Hα-helixtrans-68.9-40.4175.2-72.8170.4000112M190 F269 I320 L338 L339 S344 L345 K346M190-L342 HydrophobicContact CB-CD1 3.66Å; M190-L342 HydrophobicContact CE-CD1 4.15Å; M190-L342 HydrophobicContact CG-CD1 3.85Å; F269-L342 HydrophobicContact CE1-CD1 4.42Å; F269-L342 HydrophobicContact CZ-CD1 3.95Å; I320-L342 HydrophobicContact CD1-CD2 3.78Å; I320-L342 HydrophobicContact CD1-CG 4.29Å; I320-L342 HydrophobicContact CG2-CD2 4.46Å; L338-L342 PolarHBondContact O-N 3.15Å; L338-L342 VanDerWaalsContact O-N 3.17Å; L339-L342 PolarHBondContact O-N 3.03Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.85Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 2.73Å; L342-K346 PolarHBondContact O-N 2.76Å
343R92.1Very high88.4Confident137 Ų13760.2 Ų60.252%0.51735%0.348SS..Hα-helixtrans-65.4-36.3177-73.9176.9177.3172.9-1112.6L339 P340 L345 K346 G347L339-R343 WeakPolarHBondContact O-CG 3.5Å; L339-R343 PolarHBondContact O-N 2.9Å; P340-R343 PolarHBondContact O-N 3.44Å; R343-L345 VanDerWaalsContact C-N 3.26Å; R343-L345 PolarHBondContact O-N 2.86Å; R343-K346 WeakPolarHBondContact O-CB 3.38Å; R343-K346 PolarHBondContact O-N 3.12Å; R343-K346 VanDerWaalsContact O-N 3.14Å; R343-G347 PolarHBondContact O-N 3.39Å
344S90.9Very high88Confident71 Ų7159.8 Ų59.850%0.49735%0.347SS..Hα-helixtrans-62.1-34.8173.7175.20000112P340 L342 K346 G347 N348P340-S344 WeakPolarHBondContact O-CB 3.26Å; P340-S344 PolarHBondContact O-N 3.18Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 2.85Å; S344-K346 VanDerWaalsContact C-N 3.33Å; S344-G347 PolarHBondContact O-N 3.18Å; S344-N348 VanDerWaalsContact O-CG 3.32Å; S344-N348 PolarHBondContact O-N 3.5Å; S344-N348 PolarHBondContact O-ND2 3.01Å
345L87.4Confident87.4Confident7 Ų761.3 Ų61.34%0.03735%0.354CS..Hα-helixtrans-65.7-38173.5-74.6167.3000112.1V183 V313 K316 L317 I320 S341 L342 R343 G347 N348V183-L345 HydrophobicContact CG1-CB 3.9Å; V183-L345 HydrophobicContact CG2-CB 4.24Å; V313-L345 HydrophobicContact CB-CD2 4.32Å; V313-L345 HydrophobicContact CG1-CD2 3.92Å; V313-L345 HydrophobicContact CG2-CD2 4.37Å; K316-L345 HydrophobicContact CB-CD1 4.19Å; K316-L345 HydrophobicContact CB-CD2 3.59Å; K316-L345 HydrophobicContact CB-CG 4.33Å; K316-L345 HydrophobicContact CG-CD1 3.79Å; K316-L345 HydrophobicContact CG-CD2 3.65Å; K316-L345 HydrophobicContact CG-CG 3.91Å; L317-L345 HydrophobicContact CD2-CD1 3.94Å; L317-L345 HydrophobicContact CG-CD1 4.34Å; I320-L345 HydrophobicContact CD1-CD1 3.71Å; S341-L345 PolarHBondContact O-N 3.4Å; L342-L345 WeakPolarHBondContact O-CB 3.36Å; L342-L345 PolarHBondContact O-N 2.73Å; R343-L345 VanDerWaalsContact C-N 3.26Å; R343-L345 PolarHBondContact O-N 2.86Å; L345-G347 VanDerWaalsContact C-N 3.28Å; L345-G347 PolarHBondContact O-N 3.43Å; L345-N348 PolarHBondContact O-N 2.76Å
346K82.4Confident86.8Confident100 Ų10065.6 Ų65.644%0.43538%0.378SS..Hα-helixtrans-64.3-32178-173.5170.6175.6164.60112.6V183 C184 L342 R343 S344 N348V183-K346 HydrophobicContact CG1-CB 3.83Å; C184-K346 WeakPolarHBondContact SG-CE 3.1Å; C184-K346 PolarHBondContact SG-NZ 3.18Å; C184-K346 VanDerWaalsContact SG-NZ 3.4Å; L342-K346 PolarHBondContact O-N 2.76Å; R343-K346 WeakPolarHBondContact O-CB 3.38Å; R343-K346 PolarHBondContact O-N 3.12Å; R343-K346 VanDerWaalsContact O-N 3.14Å; S344-K346 VanDerWaalsContact C-N 3.33Å; K346-N348 VanDerWaalsContact C-N 3.33Å
347G73.4Confident86.2Confident64 Ų6465.5 Ų65.566%0.6637%0.365SS*.THydrogen-bonded Turntrans-80.4-10.5177.600000114.9R343 S344 L345R343-G347 PolarHBondContact O-N 3.39Å; S344-G347 PolarHBondContact O-N 3.18Å; L345-G347 VanDerWaalsContact C-N 3.28Å; L345-G347 PolarHBondContact O-N 3.43Å
348N67.3Low85.5Confident119 Ų11961.8 Ų61.864%0.63635%0.352SS*.THydrogen-bonded Turntrans-103.6-1.2-178.2-68.8-21.1000113.2S344 L345 K346S344-N348 VanDerWaalsContact O-CG 3.32Å; S344-N348 PolarHBondContact O-N 3.5Å; S344-N348 PolarHBondContact O-ND2 3.01Å; L345-N348 PolarHBondContact O-N 2.76Å; K346-N348 VanDerWaalsContact C-N 3.33Å
349L65.9Low84.6Confident101 Ų10167.1 Ų67.153%0.52938%0.383SS..  trans-1050172.3-70.6168.9000107.6M179 V183 V313M179-L349 HydrophobicContact CB-CD1 4.39Å; M179-L349 HydrophobicContact CB-CD2 4.28Å; M179-L349 HydrophobicContact CG-CD1 3.99Å; M179-L349 HydrophobicContact CG-CD2 4.1Å; V183-L349 HydrophobicContact CB-CD1 4.08Å; V183-L349 HydrophobicContact CG2-CD1 3.72Å; V313-L349 HydrophobicContact CG1-CD1 4.23Å; V313-L349 HydrophobicContact CG1-CD2 4.34Å; V313-L349 HydrophobicContact CG1-CG 4.47Å; V313-L349 HydrophobicContact CG2-CD2 3.93Å; V313-L349 HydrophobicContact CG2-CG 4.28Å

Retrieved 349 of 349 residues in 145.1 ms (Link to these results)