A0A5K4FF70_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FF70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.4Low49.6Very low227 Ų227145.5 Ų145.5100%1.11881%0.81SS**  092.10-67.6177.2-179.900106.1
2I42.1Very low49.5Very low144 Ų144148.1 Ų148.174%0.73882%0.822SS**  73.790.994.6-57.4157.2000109.7
3T42.5Very low49.2Very low106 Ų106146.3 Ų146.365%0.6582%0.818SS**  78.2150.2118.663.60000114.8
4Q46.2Very low49.2Very low159 Ų159143 Ų14374%0.74382%0.818SS**  cis-171.51574.1-111.2165.65400106.7
5S53.5Low48.7Very low94 Ų94140.7 Ų140.766%0.65781%0.81SS**  trans33.3131.9135.9-36.40000119.6
6T55.1Low47.9Very low146 Ų146142.9 Ų142.990%0.89681%0.811SS**  172.7148.970.138.40000105.4
7G51.6Low47.6Very low77 Ų77142.6 Ų142.679%0.79481%0.813SS**  158151.654.700000108.9
8I48.9Very low47.1Very low164 Ų164140.3 Ų140.384%0.84181%0.807SS**  trans-95135.7178.4-66.3157.5000108.2
9Q54Low46.7Very low186 Ų186139.3 Ų139.387%0.86980%0.803SS**  trans-159.8110150.1-115.7152.622.200113.1
10T47.5Very low46.3Very low120 Ų120140.9 Ų140.974%0.73680%0.803SS**  trans-4.6131.4149.3540000118.3
11M49Very low46.3Very low177 Ų177140 Ų14087%0.87280%0.8SS**  trans-163.692.4137.3-62.1-163.694.200108.7
12D48.4Very low45.5Very low177 Ų177136.3 Ų136.395%0.94779%0.785SS**  trans-121.584.3162.5-94.7-33.7000108.2
13T45Very low45.6Very low125 Ų125136.2 Ų136.277%0.76779%0.785SS**  trans-116.5109.5168.9-45.80000106.3
14A50.1Low45.5Very low100 Ų100138.4 Ų138.483%0.82679%0.792SS**  trans-145.1105161.600000108.6
15P41Very low45.3Very low108 Ų108135.8 Ų135.870%0.70179%0.787SS**  trans-96163.1168.736.9-28.4000111.3
16E36.2Very low45Very low177 Ų177140.8 Ų140.883%0.82780%0.8SS**  trans79.987.5161.2-49-144.5141.600118.1
17V42.3Very low44.3Very low137 Ų137142.2 Ų142.283%0.8380%0.796SS**  trans-96.4102.3152.9179.50000107.6V19V17-V19 PolarHBondContact O-N 3.33Å
18S38.2Very low44.5Very low101 Ų101143.6 Ų143.671%0.70679%0.794SS**  trans-57.4114168.1-60.30000110
19V40.8Very low44.1Very low122 Ų122144.8 Ų144.874%0.73980%0.796SS**  trans-90.6105.5173.9-107.20000109V17V17-V19 PolarHBondContact O-N 3.33Å
20Q38.8Very low43.8Very low170 Ų170144.3 Ų144.379%0.79479%0.792SS**  trans-84.2111.5159.9-76.7147.1-19.900107.2
21V45.8Very low43.6Very low124 Ų124143.5 Ų143.575%0.75279%0.787SS**  trans-96.696.9170.9-172.10000106.3L23V21-L23 PolarHBondContact O-N 2.85Å
22D38.8Very low43.3Very low148 Ų148144.8 Ų144.879%0.79179%0.79SS**  trans-71.994.7173.9-71.9-40000109.3
23L43.2Very low43.2Very low143 Ų143141.3 Ų141.375%0.74978%0.775SS**  trans-105.878.2169-16771.1000108.4V21V21-L23 PolarHBondContact O-N 2.85Å
24L40.8Very low43.3Very low151 Ų151141 Ų14179%0.79177%0.77SS**  trans-127.7133.3170.5-75.7174.1000110.4
25T41.4Very low43.3Very low105 Ų105144.4 Ų144.464%0.64477%0.773SS**  trans90.478.8156.2-260000116.7Q27T25-Q27 HydrophobicContact CG2-CB 4.42Å; T25-Q27 HydrophobicContact CG2-CG 4.31Å
26Q47.9Very low43.3Very low199 Ų199148.3 Ų148.393%0.9378%0.782SS**  -11875.7130-81.5173.272.500107.6S28Q26-S28 PolarHBondContact O-N 3.17Å
27Q40.9Very low43.9Very low175 Ų175150 Ų15082%0.81878%0.782SS**  trans-68110.1152-69.7174.613.800105.9T25T25-Q27 HydrophobicContact CG2-CB 4.42Å; T25-Q27 HydrophobicContact CG2-CG 4.31Å
28S54.7Low44.3Very low106 Ų106148 Ų14874%0.74177%0.766SS**  trans-124.8111.315460.50000106.6Q26 F30Q26-S28 PolarHBondContact O-N 3.17Å; S28-F30 PolarHBondContact O-N 2.79Å
29E41.9Very low45.2Very low189 Ų189150.2 Ų150.288%0.88377%0.769SS**  trans-48.5121.3178.7-62158.6132.100110.7
30F47.6Very low45.3Very low177 Ų177151 Ų15178%0.77677%0.769SS**  trans-120107.1163.3-144.9-95000108.3S28 D34S28-F30 PolarHBondContact O-N 2.79Å; F30-D34 VanDerWaalsContact CE1-OD2 3.27Å; F30-D34 WeakPolarHBondContact CE1-OD2 2.93Å
31T42.1Very low45.6Very low103 Ų103150.2 Ų150.263%0.63277%0.77SS**  trans-66.5142.1-177.345.70000111T33T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.76Å
32Q44.1Very low45.7Very low203 Ų203149.4 Ų149.495%0.94976%0.762SS**SBendtrans-67.878.9176.6-172177.110.800110.6
33T45Very low46.3Very low104 Ų104148.1 Ų148.164%0.63876%0.755SS**  trans-142.4-2.1176.848.10000116.7T31 L35T31-T33 VanDerWaalsContact C-N 3.3Å; T31-T33 PolarHBondContact O-N 2.76Å; T33-L35 PolarHBondContact O-N 3.05Å
34D48.4Very low46.2Very low120 Ų120146.7 Ų146.764%0.64275%0.748SS**  trans-10026.3-171.3-66.3-4.8000115F30F30-D34 VanDerWaalsContact CE1-OD2 3.27Å; F30-D34 WeakPolarHBondContact CE1-OD2 2.93Å
35L50Low46.7Very low171 Ų171147 Ų14790%0.89575%0.75SS**  trans-103.665.8169.6-69.9176.8000110.6T33T33-L35 PolarHBondContact O-N 3.05Å
36E41.2Very low47Very low190 Ų190148.8 Ų148.889%0.88876%0.756SS**  trans-166.299.2168.1-110.1164.6-15200111.9
37Y48.3Very low47.1Very low212 Ų212144.7 Ų144.783%0.83175%0.75SS**  trans-172.8120.5162.3-162.5-103.6000107.4
38D50.8Low47.7Very low94 Ų94140.5 Ų140.550%0.50374%0.74SS.*  cis-155.9130.24.2-104.6-8.6000106.7
39I55.6Low47.5Very low148 Ų148140.8 Ų140.876%0.75974%0.737SS**  59.896.598.3-55.1176.9000116.5
40N44Very low47.8Very low140 Ų140137.5 Ų137.575%0.74973%0.73SS**  30.3117.7121.8-169.318.1000120.8
41N45.1Very low47.7Very low152 Ų152136.1 Ų136.181%0.81374%0.736SS**  trans-164.292.5144.9-16330.1000110.1
42N47.4Very low47.8Very low108 Ų108137.9 Ų137.958%0.57874%0.74SS**  83.2131.280.2-16017.8000116.5
43N51Low47.7Very low120 Ų120135.7 Ų135.764%0.64274%0.735SS**  trans69.7112.2154.6-79.8-26.6000119.7
44N42.9Very low47.7Very low113 Ų113134.8 Ų134.860%0.60474%0.738SS**  62.911466.3-164.912.1000112.5
45N51.3Low47.8Very low157 Ų157135.8 Ų135.884%0.8475%0.749SS**  -170.9121.3128.8-86.9-25.6000112.5
46N46.6Very low47.9Very low143 Ų143134.1 Ų134.177%0.76574%0.739SS**  trans-54.3144.6164.8-65.5-41.4000113.2
47S50.2Low48.1Very low114 Ų114134 Ų13480%0.79774%0.739SS**  trans177.4133.1140.3-82.50000106.8
48S53.5Low48.2Very low87 Ų87128.2 Ų128.261%0.60873%0.729SS**  cis-172.2141.10.2-82.80000103.7
49T49.7Very low48.1Very low111 Ų111129.8 Ų129.868%0.68175%0.748SS**  trans58.7120145.142.10000120.5
50T48.8Very low47.2Very low120 Ų120125.2 Ų125.274%0.73674%0.737SS**SBendtrans76.9115.114156.70000117.6
51T44.8Very low47.3Very low148 Ų148125.8 Ų125.891%0.90874%0.735SS**SBendtrans74.868-17677.20000115.8
52I44.4Very low47.3Very low140 Ų140125.9 Ų125.972%0.71874%0.735SS**  trans-147.4117.3179.9-39.4169.5000109.3
53D42.5Very low47.2Very low157 Ų157125.9 Ų125.984%0.8474%0.735SS**  trans-165.6140.5136.2-137.6-16000111.6
54A45.2Very low47.3Very low86 Ų86125 Ų12571%0.71173%0.73SS**SBendtrans81.155.5170.100000121.3
55T50.2Low48Very low140 Ų140124 Ų12486%0.85973%0.732SS**  trans-136.775.9138.151.20000108.8E57T55-E57 PolarHBondContact O-N 3.01Å
56I52.9Low48.4Very low136 Ų136122.2 Ų122.270%0.69772%0.722SS**  trans-79.6102.5165.2-67.1175.9000105.8S58I56-S58 VanDerWaalsContact CG2-N 3.34Å; I56-S58 WeakPolarHBondContact CG2-OG 3.3Å; I56-S58 PolarHBondContact O-N 3.06Å
57E44.2Very low49.5Very low188 Ų188119.8 Ų119.888%0.87971%0.709SS**  trans-69.965.9155.9-70.2-175.9174.200108T55 S59T55-E57 PolarHBondContact O-N 3.01Å; E57-S59 PolarHBondContact O-N 2.91Å
58S50.2Low50.8Low90 Ų90117.8 Ų117.863%0.62970%0.695SS**  trans-77.389.2155-79.10000104.6I56 G60I56-S58 VanDerWaalsContact CG2-N 3.34Å; I56-S58 WeakPolarHBondContact CG2-OG 3.3Å; I56-S58 PolarHBondContact O-N 3.06Å; S58-G60 PolarHBondContact O-N 3.15Å
59S49.2Very low52.1Low127 Ų127117 Ų11789%0.88868%0.684SS**  trans-67.761.1147.5-55.40000108.2E57E57-S59 PolarHBondContact O-N 2.91Å
60G36.4Very low53.4Low52 Ų52114 Ų11454%0.53667%0.668SS.*  trans-90.7101.1160.500000106S58S58-G60 PolarHBondContact O-N 3.15Å
61H46Very low55.1Low153 Ų153112.2 Ų112.271%0.70866%0.656SS**  trans-126.775.4153.7-134.9-83.6000106.8D63H61-D63 IonicContact CE1-OD1 3.01Å; H61-D63 PolarHBondContact CE1-OD1 3.08Å; H61-D63 IonicContact CE1-OD2 3.15Å; H61-D63 PolarHBondContact CE1-OD2 3.3Å; H61-D63 IonicContact ND1-OD1 3.05Å; H61-D63 PolarHBondContact ND1-OD1 2.88Å; H61-D63 IonicContact ND1-OD2 2.76Å; H61-D63 PolarHBondContact ND1-OD2 3.12Å; H61-D63 PolarHBondContact O-N 3.4Å
62L45Very low56.9Low154 Ų154109.8 Ų109.881%0.80664%0.638SS**  trans-7378.4160.7-78.8155.6000106.9N64L62-N64 PolarHBondContact O-N 2.8Å
63D47.3Very low58.8Low107 Ų107105.6 Ų105.657%0.57261%0.613SS**  trans-74.568.4163.6-82.8-28.9000109.1H61 S65H61-D63 IonicContact CE1-OD1 3.01Å; H61-D63 PolarHBondContact CE1-OD1 3.08Å; H61-D63 IonicContact CE1-OD2 3.15Å; H61-D63 PolarHBondContact CE1-OD2 3.3Å; H61-D63 IonicContact ND1-OD1 3.05Å; H61-D63 PolarHBondContact ND1-OD1 2.88Å; H61-D63 IonicContact ND1-OD2 2.76Å; H61-D63 PolarHBondContact ND1-OD2 3.12Å; H61-D63 PolarHBondContact O-N 3.4Å; D63-S65 VanDerWaalsContact C-N 3.31Å; D63-S65 PolarHBondContact O-N 3.44Å
64N51.5Low60.6Low103 Ų103100.9 Ų100.955%0.55159%0.59SS**THydrogen-bonded Turntrans-88.612.7-169.9-161.325.2000113.8L62L62-N64 PolarHBondContact O-N 2.8Å
65S58.1Low62.5Low92 Ų92103.2 Ų103.264%0.64358%0.581SS**THydrogen-bonded Turntrans-93.2-24.1-177.557.30000113.8D63D63-S65 VanDerWaalsContact C-N 3.31Å; D63-S65 PolarHBondContact O-N 3.44Å
66N60.1Low64Low119 Ų11998.1 Ų98.164%0.63655%0.548SS*.Hα-helixtrans-84.6-23.2178.6-71.9-36.4000112.9L69 S70N66-L69 PolarHBondContact O-N 2.95Å; N66-S70 PolarHBondContact O-N 3.44Å; N66-S70 VanDerWaalsContact O-N 3.08Å; N66-S70 PolarHBondContact O-OG 2.99Å; N66-S70 VanDerWaalsContact O-OG 3.12Å
67D68.9Low65.5Low91 Ų9191.7 Ų91.749%0.48752%0.515SS..Hα-helixtrans-68.3-37.9-173.9-171.544.9000112.7L69 S70 T71D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 3.48Å; D67-S70 VanDerWaalsContact CA-OG 3.3Å; D67-S70 WeakPolarHBondContact CA-OG 3.35Å; D67-S70 PolarHBondContact O-N 3.36Å; D67-S70 PolarHBondContact O-OG 3.24Å; D67-T71 WeakPolarHBondContact O-CB 3.27Å; D67-T71 PolarHBondContact O-N 2.89Å; D67-T71 PolarHBondContact O-OG1 3.05Å
68S79Confident67.5Low73 Ų7387.3 Ų87.351%0.5150%0.498SS..Hα-helixtrans-64-40176-51.60000111.6T71 L72S68-T71 PolarHBondContact O-N 3.48Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.05Å
69L79.5Confident69.3Low69 Ų6988.9 Ų88.936%0.36150%0.495SS..Hα-helixtrans-73.4-38.5-179.4-173.262.6000112N66 D67 T71 L72 R73 L132N66-L69 PolarHBondContact O-N 2.95Å; D67-L69 VanDerWaalsContact C-N 3.34Å; D67-L69 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.31Å; L69-L72 PolarHBondContact O-N 3.2Å; L69-R73 VanDerWaalsContact O-CG 3.29Å; L69-R73 WeakPolarHBondContact O-CG 3.28Å; L69-R73 PolarHBondContact O-N 3.42Å; L69-L132 HydrophobicContact CD1-CD1 4.43Å
70S78.2Confident71.2Confident49 Ų4983.7 Ų83.734%0.34346%0.457SS..Hα-helixtrans-61.7-42.2172430000111.5N66 D67 L72 R73 V74N66-S70 PolarHBondContact O-N 3.44Å; N66-S70 VanDerWaalsContact O-N 3.08Å; N66-S70 PolarHBondContact O-OG 2.99Å; N66-S70 VanDerWaalsContact O-OG 3.12Å; D67-S70 VanDerWaalsContact CA-OG 3.3Å; D67-S70 WeakPolarHBondContact CA-OG 3.35Å; D67-S70 PolarHBondContact O-N 3.36Å; D67-S70 PolarHBondContact O-OG 3.24Å; S70-L72 PolarHBondContact O-N 2.89Å; S70-R73 PolarHBondContact O-N 3.46Å; S70-V74 WeakPolarHBondContact O-CG2 3.21Å; S70-V74 PolarHBondContact O-N 3.44Å
71T83.6Confident73.9Confident82 Ų8284.6 Ų84.650%0.50345%0.454SS..Hα-helixtrans-61-45.4176.2-58.60000111.3D67 S68 L69 R73 V74 Y75D67-T71 WeakPolarHBondContact O-CB 3.27Å; D67-T71 PolarHBondContact O-N 2.89Å; D67-T71 PolarHBondContact O-OG1 3.05Å; S68-T71 PolarHBondContact O-N 3.48Å; L69-T71 VanDerWaalsContact C-N 3.31Å; T71-R73 PolarHBondContact O-N 2.94Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-Y75 WeakPolarHBondContact O-CB 3.38Å; T71-Y75 PolarHBondContact O-N 2.96Å
72L81.9Confident76.2Confident98 Ų9881.5 Ų81.551%0.51344%0.442SS..Hα-helixtrans-60.7-43.8175-71.2175000112S68 L69 S70 V74 Y75 L76S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.35Å; S68-L72 PolarHBondContact O-N 3.05Å; L69-L72 PolarHBondContact O-N 3.2Å; S70-L72 PolarHBondContact O-N 2.89Å; L72-V74 PolarHBondContact O-N 3.3Å; L72-Y75 WeakPolarHBondContact O-CB 3.4Å; L72-Y75 PolarHBondContact O-N 3.36Å; L72-L76 WeakPolarHBondContact O-CB 2.95Å; L72-L76 VanDerWaalsContact O-CD1 3.31Å; L72-L76 WeakPolarHBondContact O-CD1 3.43Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.88Å
73R85.3Confident78.6Confident51 Ų5176.6 Ų76.619%0.19242%0.421CS..Hα-helixtrans-59.3-45.6177.4-74.6177.7166126.10.1112.4L69 S70 T71 L76 L77 I128 E129 K130 L132L69-R73 VanDerWaalsContact O-CG 3.29Å; L69-R73 WeakPolarHBondContact O-CG 3.28Å; L69-R73 PolarHBondContact O-N 3.42Å; S70-R73 PolarHBondContact O-N 3.46Å; T71-R73 PolarHBondContact O-N 2.94Å; R73-L76 PolarHBondContact O-N 3.22Å; R73-L77 WeakPolarHBondContact O-CG 3.46Å; R73-L77 PolarHBondContact O-N 3.45Å; R73-I128 HydrophobicContact CB-CG2 4.46Å; R73-I128 WeakPolarHBondContact CD-O 3.28Å; R73-I128 PolarHBondContact NE-O 2.97Å; R73-E129 WeakPolarHBondContact CD-O 3.43Å; R73-E129 VanDerWaalsContact CZ-O 3.24Å; R73-E129 PolarHBondContact NE-O 3.02Å; R73-E129 PolarHBondContact NH1-O 2.98Å; R73-K130 PolarHBondContact NH2-O 3.45Å; R73-L132 HydrophobicContact CB-CD2 4.48Å; R73-L132 HydrophobicContact CG-CD1 3.93Å; R73-L132 HydrophobicContact CG-CD2 3.69Å; R73-L132 HydrophobicContact CG-CG 4.23Å
74V80.7Confident81Confident59 Ų5975 Ų7536%0.35841%0.414SS..Hα-helixtrans-65.5-43.1177.6173.40000110.7S70 T71 L72 L76 L77 N78S70-V74 WeakPolarHBondContact O-CG2 3.21Å; S70-V74 PolarHBondContact O-N 3.44Å; T71-V74 PolarHBondContact O-N 3.38Å; L72-V74 PolarHBondContact O-N 3.3Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.24Å; V74-L77 WeakPolarHBondContact O-CB 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; V74-N78 PolarHBondContact O-N 3.34Å; V74-N78 VanDerWaalsContact O-N 3.16Å; V74-N78 PolarHBondContact O-ND2 3.02Å
75Y84.5Confident83.2Confident135 Ų13570.5 Ų70.553%0.52939%0.39SS..Hα-helixtrans-56.6-49.7175.1173.8-98.4000111.3T71 L72 L77 N78 Q79T71-Y75 WeakPolarHBondContact O-CB 3.38Å; T71-Y75 PolarHBondContact O-N 2.96Å; L72-Y75 WeakPolarHBondContact O-CB 3.4Å; L72-Y75 PolarHBondContact O-N 3.36Å; Y75-L77 PolarHBondContact O-N 3.16Å; Y75-N78 PolarHBondContact O-N 2.91Å; Y75-N78 VanDerWaalsContact O-N 3.11Å; Y75-Q79 HydrophobicContact CD1-CG 4.49Å; Y75-Q79 HydrophobicContact CE1-CG 4.05Å; Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 3.43Å
76L81.4Confident85Confident33 Ų3372.6 Ų72.617%0.17339%0.393CS..Hα-helixtrans-62.5-40-179.5-69.4162.1000112.6L72 R73 V74 N78 Q79 L132 Y142L72-L76 WeakPolarHBondContact O-CB 2.95Å; L72-L76 VanDerWaalsContact O-CD1 3.31Å; L72-L76 WeakPolarHBondContact O-CD1 3.43Å; L72-L76 WeakPolarHBondContact O-CG 3.3Å; L72-L76 PolarHBondContact O-N 2.88Å; R73-L76 PolarHBondContact O-N 3.22Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.24Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.29Å; L76-Q79 PolarHBondContact O-N 3.37Å; L76-L132 HydrophobicContact CD1-CD2 4.49Å; L76-Y142 HydrophobicContact CB-CD1 4.4Å; L76-Y142 HydrophobicContact CD1-CD1 3.25Å; L76-Y142 HydrophobicContact CD1-CD2 4.39Å; L76-Y142 HydrophobicContact CD1-CE1 3.14Å; L76-Y142 HydrophobicContact CD1-CE2 4.34Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.73Å; L76-Y142 HydrophobicContact CD2-CD2 4.41Å; L76-Y142 HydrophobicContact CD2-CE1 4.46Å; L76-Y142 HydrophobicContact CD2-CG 3.69Å; L76-Y142 HydrophobicContact CG-CD1 3.97Å; L76-Y142 HydrophobicContact CG-CE1 4.31Å; L76-Y142 HydrophobicContact CG-CG 4.39Å
77L84.9Confident86.7Confident1 Ų170 Ų701%0.00538%0.38CS..Hα-helixtrans-56.8-41.4173.2-85.3161.3000112.5R73 V74 Y75 Q79 L80 M111 Y125 I128R73-L77 WeakPolarHBondContact O-CG 3.46Å; R73-L77 PolarHBondContact O-N 3.45Å; V74-L77 WeakPolarHBondContact O-CB 3.29Å; V74-L77 PolarHBondContact O-N 3.27Å; Y75-L77 PolarHBondContact O-N 3.16Å; L77-Q79 PolarHBondContact O-N 3.45Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-M111 HydrophobicContact CD2-CE 4.03Å; L77-M111 HydrophobicContact CD2-SD 3.91Å; L77-M111 WeakPolarHBondContact O-CE 3.22Å; L77-Y125 HydrophobicContact CD1-CD2 3.65Å; L77-Y125 HydrophobicContact CD1-CE2 3.87Å; L77-Y125 HydrophobicContact CD1-CG 4.23Å; L77-Y125 HydrophobicContact CD2-CD2 4.34Å; L77-Y125 HydrophobicContact CG-CD2 4.47Å; L77-I128 HydrophobicContact CD1-CB 4.06Å; L77-I128 HydrophobicContact CD1-CG2 3.91Å; L77-I128 HydrophobicContact CD2-CB 3.96Å; L77-I128 HydrophobicContact CD2-CD1 3.49Å; L77-I128 VanDerWaalsContact CD2-CD1 3.49Å; L77-I128 HydrophobicContact CD2-CG1 4.18Å; L77-I128 HydrophobicContact CD2-CG2 4.17Å; L77-I128 HydrophobicContact CG-CB 4.05Å; L77-I128 HydrophobicContact CG-CD1 4.14Å; L77-I128 HydrophobicContact CG-CG2 3.76Å
78N85.5Confident88Confident96 Ų9670.2 Ų70.251%0.51338%0.381SS..Hα-helixtrans-74.3-13-178-68.7-28.3000113.4V74 Y75 L76V74-N78 PolarHBondContact O-N 3.34Å; V74-N78 VanDerWaalsContact O-N 3.16Å; V74-N78 PolarHBondContact O-ND2 3.02Å; Y75-N78 PolarHBondContact O-N 2.91Å; Y75-N78 VanDerWaalsContact O-N 3.11Å; L76-N78 VanDerWaalsContact C-N 3.27Å; L76-N78 PolarHBondContact O-N 3.29Å
79Q87.7Confident88.9Confident122 Ų12271 Ų7157%0.5738%0.383SS*.THydrogen-bonded Turntrans-89-10.2174.7-60.6-52.2-53.800113.3Y75 L76 L77Y75-Q79 HydrophobicContact CD1-CG 4.49Å; Y75-Q79 HydrophobicContact CE1-CG 4.05Å; Y75-Q79 WeakPolarHBondContact O-CG 3.47Å; Y75-Q79 PolarHBondContact O-N 3.43Å; L76-Q79 PolarHBondContact O-N 3.37Å; L77-Q79 PolarHBondContact O-N 3.45Å
80L90.8Very high89.5Confident18 Ų1869.8 Ų69.89%0.09438%0.38CS..SBendtrans-82.8145.1-177-67.4170.5000111.4L77 I82 M111 L113 P114 I128 I141L77-L80 PolarHBondContact O-N 3.42Å; L80-I82 PolarHBondContact O-N 3.11Å; L80-M111 HydrophobicContact CB-CE 4.32Å; L80-M111 HydrophobicContact CB-CG 3.73Å; L80-M111 HydrophobicContact CB-SD 3.64Å; L80-M111 HydrophobicContact CD1-CG 4.28Å; L80-M111 HydrophobicContact CD1-SD 3.47Å; L80-M111 WeakPolarHBondContact CD1-SD 3.38Å; L80-M111 HydrophobicContact CG-SD 4.21Å; L80-L113 HydrophobicContact CD1-CD2 3.62Å; L80-L113 HydrophobicContact CD2-CD2 4.11Å; L80-P114 HydrophobicContact CD2-CG 4.45Å; L80-I128 HydrophobicContact CD1-CD1 4.09Å; L80-I141 HydrophobicContact CD1-CG2 3.89Å; L80-I141 HydrophobicContact CD2-CG2 4.19Å
81P92.3Very high90.3Very high72 Ų7268.8 Ų68.847%0.46837%0.37SS..  trans-64.1124.5178.825.9-34.5000111.1M111 G112P81-M111 WeakPolarHBondContact O-CA 3.16Å; P81-G112 WeakPolarHBondContact CD-O 3.45Å; P81-G112 WeakPolarHBondContact CG-O 3.39Å; P81-G112 PolarHBondContact O-N 3.46Å
82I95Very high90.8Very high88 Ų8873 Ų7345%0.45138%0.382SS..EExtended strand (participates in β ladder)trans-108.6134173.5-57169.1000108.5L80 I110 M111 Y121L80-I82 PolarHBondContact O-N 3.11Å; I82-I110 WeakPolarHBondContact CA-O 3.34Å; I82-M111 HydrophobicContact CD1-CE 4.15Å; I82-M111 HydrophobicContact CG1-CE 3.94Å; I82-Y121 HydrophobicContact CD1-CD2 3.77Å; I82-Y121 HydrophobicContact CD1-CE2 3.52Å; I82-Y121 HydrophobicContact CG1-CD2 4.01Å; I82-Y121 HydrophobicContact CG1-CE2 4.24Å; I82-Y121 HydrophobicContact CG2-CD2 4.36Å
83S95.1Very high91.3Very high51 Ų5175.9 Ų75.936%0.35739%0.39SS..EExtended strand (participates in β ladder)trans-134.216117262.90000111.6R109 I110S83-R109 CarbonylContact O-C 3.6Å; S83-R109 WeakPolarHBondContact O-CA 3.23Å; S83-I110 PolarHBondContact N-O 3.06Å; S83-I110 PolarHBondContact O-N 2.89Å; S83-I110 WeakPolarHBondContact OG-CD1 3.19Å; S83-I110 WeakPolarHBondContact OG-CG1 3.44Å
84V97.3Very high91.7Very high73 Ų7375.4 Ų75.444%0.44239%0.391SS..EExtended strand (participates in β ladder)trans-111.7133.6173.9-176.60000107.9L86 D108 R109V84-L86 HydrophobicContact CB-CD2 4.42Å; V84-L86 HydrophobicContact CG1-CD2 4.15Å; V84-L86 PolarHBondContact O-N 3.33Å; V84-D108 WeakPolarHBondContact CA-O 3.37Å; V84-R109 HydrophobicContact CG2-CG 4.27Å
85L97.4Very high92.3Very high9 Ų980.4 Ų80.45%0.04741%0.41CS..  trans-78118.2177.2-64.5175.1000110.5I91 L94 Y104 G107 D108 I110L85-I91 HydrophobicContact CB-CG1 4.09Å; L85-I91 HydrophobicContact CD1-CG1 3.9Å; L85-I91 HydrophobicContact CG-CG1 4.43Å; L85-L94 HydrophobicContact CD1-CD1 3.88Å; L85-L94 HydrophobicContact CD2-CD1 3.79Å; L85-L94 HydrophobicContact CG-CD1 4.47Å; L85-Y104 HydrophobicContact CD1-CD1 4.2Å; L85-Y104 HydrophobicContact CD1-CG 3.93Å; L85-G107 PolarHBondContact O-N 3.37Å; L85-D108 HydrophobicContact CD1-CB 4.3Å; L85-D108 PolarHBondContact N-O 2.87Å; L85-I110 HydrophobicContact CD1-CG2 3.9Å; L85-I110 HydrophobicContact CD2-CD1 3.79Å; L85-I110 HydrophobicContact CD2-CG1 4.48Å; L85-I110 HydrophobicContact CG-CD1 4.21Å; L85-I110 HydrophobicContact CG-CG1 4.45Å; L85-I110 HydrophobicContact CG-CG2 4.26Å
86L96.6Very high92.9Very high135 Ų13578 Ų7871%0.70741%0.407SS*.  trans-103.5-18.5-172.1-59.6179.1000113.8V84V84-L86 HydrophobicContact CB-CD2 4.42Å; V84-L86 HydrophobicContact CG1-CD2 4.15Å; V84-L86 PolarHBondContact O-N 3.33Å
87D96Very high93.7Very high65 Ų6576.5 Ų76.535%0.34840%0.399SS..SBendtrans-151.9159.7-174.764.670.8000112.1T89 S90 I91D87-T89 PolarHBondContact O-N 3.38Å; D87-T89 VanDerWaalsContact OD1-CA 3.27Å; D87-T89 WeakPolarHBondContact OD1-CA 3.42Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.88Å; D87-S90 PolarHBondContact O-N 3.14Å; D87-S90 PolarHBondContact OD1-N 3.39Å; D87-S90 PolarHBondContact OD1-OG 3.22Å; D87-S90 VanDerWaalsContact OD1-OG 3.13Å; D87-S90 PolarHBondContact OD2-OG 3.34Å; D87-I91 PolarHBondContact O-N 3.25Å
88D96.1Very high94.3Very high95 Ų9578.5 Ų78.551%0.50841%0.413SS..Hα-helixtrans-65.3-24.2178.9-65.7-49000113.3S90 I91 K92D88-S90 VanDerWaalsContact C-N 3.34Å; D88-I91 PolarHBondContact O-N 3.03Å; D88-K92 WeakPolarHBondContact O-CB 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.48Å; D88-K92 PolarHBondContact O-N 3.48Å
89T96.1Very high94.8Very high90 Ų9076.4 Ų76.455%0.55240%0.401SS*.Hα-helixtrans-68.4-39.7179.8-54.20000110.4D87 K93D87-T89 PolarHBondContact O-N 3.38Å; D87-T89 VanDerWaalsContact OD1-CA 3.27Å; D87-T89 WeakPolarHBondContact OD1-CA 3.42Å; D87-T89 WeakPolarHBondContact OD1-CB 3.49Å; D87-T89 PolarHBondContact OD1-N 2.88Å; T89-K93 WeakPolarHBondContact O-CG 3.15Å
90S93.5Very high95.3Very high43 Ų4372.9 Ų72.930%0.30139%0.389SS..Hα-helixtrans-67.6-44174.8-60.50000110.9D87 D88 K92 K93D87-S90 PolarHBondContact O-N 3.14Å; D87-S90 PolarHBondContact OD1-N 3.39Å; D87-S90 PolarHBondContact OD1-OG 3.22Å; D87-S90 VanDerWaalsContact OD1-OG 3.13Å; D87-S90 PolarHBondContact OD2-OG 3.34Å; D88-S90 VanDerWaalsContact C-N 3.34Å; S90-K92 PolarHBondContact O-N 2.89Å; S90-K93 PolarHBondContact O-N 3.19Å
91I95.2Very high95.6Very high28 Ų2879.3 Ų79.314%0.14442%0.421CS..Hα-helixtrans-61-44.9177.5-67.6163.3000111.5L85 D87 D88 K93 L94 Y104 I106L85-I91 HydrophobicContact CB-CG1 4.09Å; L85-I91 HydrophobicContact CD1-CG1 3.9Å; L85-I91 HydrophobicContact CG-CG1 4.43Å; D87-I91 PolarHBondContact O-N 3.25Å; D88-I91 PolarHBondContact O-N 3.03Å; I91-K93 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact O-N 3.1Å; I91-L94 PolarHBondContact O-N 3.25Å; I91-Y104 WeakPolarHBondContact CG2-O 3.48Å; I91-I106 HydrophobicContact CD1-CB 4.34Å; I91-I106 HydrophobicContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-N 3.34Å
92K93.9Very high95.9Very high172 Ų17281.5 Ų81.575%0.74843%0.425SS*.THydrogen-bonded Turntrans-62.1-18.5-179.8-76.8170.5-175.1176.30114.3D88 S90 L94D88-K92 WeakPolarHBondContact O-CB 3.31Å; D88-K92 WeakPolarHBondContact O-CG 3.48Å; D88-K92 PolarHBondContact O-N 3.48Å; S90-K92 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact C-N 3.32Å
93K92.3Very high96Very high158 Ų15881.4 Ų81.469%0.68743%0.425SS*.THydrogen-bonded Turntrans-83.6-9.9176.3-67.6171.6-176.6177.60112.8T89 S90 I91T89-K93 WeakPolarHBondContact O-CG 3.15Å; S90-K93 PolarHBondContact O-N 3.19Å; I91-K93 PolarHBondContact O-N 3.43Å; I91-K93 VanDerWaalsContact O-N 3.1Å
94L93.7Very high96.2Very high41 Ų4179.5 Ų79.522%0.21541%0.41CS..SBendtrans-102.6143-175.9-58.3178.9000111.2L85 I91 K92 Y104 I110 M118L85-L94 HydrophobicContact CD1-CD1 3.88Å; L85-L94 HydrophobicContact CD2-CD1 3.79Å; L85-L94 HydrophobicContact CG-CD1 4.47Å; I91-L94 PolarHBondContact O-N 3.25Å; K92-L94 VanDerWaalsContact C-N 3.32Å; L94-Y104 HydrophobicContact CB-CD2 3.65Å; L94-Y104 HydrophobicContact CB-CE2 3.82Å; L94-Y104 HydrophobicContact CD1-CD2 3.77Å; L94-Y104 HydrophobicContact CD1-CE2 4.01Å; L94-Y104 HydrophobicContact CD1-CG 4.31Å; L94-Y104 HydrophobicContact CG-CD2 4.37Å; L94-I110 HydrophobicContact CD1-CD1 3.81Å; L94-M118 HydrophobicContact CD2-CB 4.43Å; L94-M118 HydrophobicContact CD2-CG 4.4Å; L94-M118 HydrophobicContact CD2-SD 3.42Å; L94-M118 WeakPolarHBondContact CD2-SD 3.36Å
95H93.7Very high96.2Very high163 Ų16381.4 Ų81.476%0.75541%0.414SS*.PPolyproline II helixtrans-80.2155.3163.2-65.1-70.2000110.3Y104H95-Y104 WeakPolarHBondContact O-CE2 3.4Å
96N96.2Very high96.2Very high86 Ų8685.7 Ų85.746%0.4644%0.436SS..PPolyproline II helixtrans-51.2149.9177.2-54.619.6000111.9S98 E102 N103N96-S98 PolarHBondContact O-N 2.98Å; N96-S98 VanDerWaalsContact O-N 3.11Å; N96-E102 WeakPolarHBondContact CB-O 3.29Å; N96-N103 PolarHBondContact ND2-OD1 3.42Å; N96-N103 PolarHBondContact OD1-OD1 3.32Å
97C98.3Very high96.2Very high0 Ų081.6 Ų81.60%043%0.426CS..  trans-66.2115.8176.3-178.50000109.5I99 C100 M101 E102 Y104 H120C97-I99 PolarHBondContact O-N 2.93Å; C97-I99 VanDerWaalsContact O-N 3.17Å; C97-C100 VanDerWaalsContact CB-SG 3.56Å; C97-M101 WeakPolarHBondContact O-CA 3.27Å; C97-M101 PolarHBondContact O-N 3.35Å; C97-E102 PolarHBondContact N-O 3.27Å; C97-Y104 HydrophobicContact CB-CE1 4.01Å; C97-Y104 WeakPolarHBondContact CB-OH 3.5Å; C97-H120 VanDerWaalsContact CB-ND1 3.34Å; C97-H120 WeakPolarHBondContact CB-ND1 3.14Å
98S96.8Very high96.3Very high43 Ų4380.4 Ų80.430%0.30142%0.42SS..THydrogen-bonded Turntrans-72.7-8.2-175.462.20000114.9N96 F119 M136N96-S98 PolarHBondContact O-N 2.98Å; N96-S98 VanDerWaalsContact O-N 3.11Å; S98-F119 WeakPolarHBondContact OG-CE1 3.43Å; S98-M136 WeakPolarHBondContact CB-SD 3.38Å; S98-M136 WeakPolarHBondContact OG-CG 3.19Å; S98-M136 PolarHBondContact OG-SD 3.47Å
99I97.7Very high96.4Very high52 Ų5281.7 Ų81.727%0.26742%0.417SS..THydrogen-bonded Turntrans-80.7-52.6175.9-60.7170.2000110.5C97 F119 C123 L124 W127 P135C97-I99 PolarHBondContact O-N 2.93Å; C97-I99 VanDerWaalsContact O-N 3.17Å; I99-F119 HydrophobicContact CD1-CB 4.29Å; I99-F119 HydrophobicContact CD1-CD1 3.58Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CG 4.1Å; I99-F119 HydrophobicContact CG1-CD1 3.78Å; I99-F119 HydrophobicContact CG1-CE1 4.13Å; I99-C123 HydrophobicContact CB-CB 3.91Å; I99-C123 HydrophobicContact CD1-CB 3.87Å; I99-C123 HydrophobicContact CG1-CB 4.5Å; I99-C123 HydrophobicContact CG2-CB 3.86Å; I99-L124 HydrophobicContact CD1-CB 4.47Å; I99-L124 HydrophobicContact CD1-CD1 4.44Å; I99-W127 HydrophobicContact CD1-CB 4.1Å; I99-W127 HydrophobicContact CD1-CG 4.49Å; I99-P135 HydrophobicContact CD1-CG 3.88Å; I99-P135 HydrophobicContact CG1-CB 4.21Å; I99-P135 HydrophobicContact CG1-CG 3.92Å
100C98.1Very high96.5Very high48 Ų4877.5 Ų77.532%0.32439%0.392SS..THydrogen-bonded Turntrans-95.4-11179.962.20000113.7C97 E102 H120C97-C100 VanDerWaalsContact CB-SG 3.56Å; C100-E102 HydrophobicContact CB-CG 4.46Å; C100-E102 PolarHBondContact O-N 2.97Å; C100-H120 PolarHBondContact SG-ND1 2.99Å; C100-H120 VanDerWaalsContact SG-ND1 3.44Å
101M97.4Very high96.6Very high153 Ų15375.4 Ų75.475%0.75438%0.377SS*.  trans64.515.5-175.8-51.6-176.5-175.200114.8C97C97-M101 WeakPolarHBondContact O-CA 3.27Å; C97-M101 PolarHBondContact O-N 3.35Å
102E98.2Very high96.5Very high119 Ų11974.4 Ų74.456%0.55637%0.373SS*.PPolyproline II helixtrans-97.2156.5-178.7-65.5-67174.900113.2N96 C97 C100N96-E102 WeakPolarHBondContact CB-O 3.29Å; C97-E102 PolarHBondContact N-O 3.27Å; C100-E102 HydrophobicContact CB-CG 4.46Å; C100-E102 PolarHBondContact O-N 2.97Å
103N97.4Very high96.5Very high85 Ų8566.6 Ų66.646%0.45534%0.34SS..PPolyproline II helixtrans-71.6157.1171.1-64.1-47000111.3N96 H105N96-N103 PolarHBondContact ND2-OD1 3.42Å; N96-N103 PolarHBondContact OD1-OD1 3.32Å; N103-H105 PolarHBondContact O-CE1 3.48Å; N103-H105 PolarHBondContact O-ND1 3.18Å
104Y97.8Very high96.6Very high12 Ų1263 Ų635%0.04733%0.332CS..PPolyproline II helixtrans-84.4150.4170.6-64.2-66.7000112.2L85 I91 L94 H95 C97 D108 I110 M118 F119 H120L85-Y104 HydrophobicContact CD1-CD1 4.2Å; L85-Y104 HydrophobicContact CD1-CG 3.93Å; I91-Y104 WeakPolarHBondContact CG2-O 3.48Å; L94-Y104 HydrophobicContact CB-CD2 3.65Å; L94-Y104 HydrophobicContact CB-CE2 3.82Å; L94-Y104 HydrophobicContact CD1-CD2 3.77Å; L94-Y104 HydrophobicContact CD1-CE2 4.01Å; L94-Y104 HydrophobicContact CD1-CG 4.31Å; L94-Y104 HydrophobicContact CG-CD2 4.37Å; H95-Y104 WeakPolarHBondContact O-CE2 3.4Å; C97-Y104 HydrophobicContact CB-CE1 4.01Å; C97-Y104 WeakPolarHBondContact CB-OH 3.5Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.47Å; Y104-I110 HydrophobicContact CD1-CG2 3.7Å; Y104-I110 HydrophobicContact CE1-CG2 3.6Å; Y104-M118 PolarHBondContact OH-O 2.75Å; Y104-F119 WeakPolarHBondContact OH-CA 3.37Å; Y104-F119 PolarHBondContact OH-N 3.34Å; Y104-H120 AromaticContact CD1-CD2 3.63Å; Y104-H120 AromaticContact CD1-CE1 3.71Å; Y104-H120 AromaticContact CD1-NE2 3.27Å; Y104-H120 VanDerWaalsContact CD1-NE2 3.27Å; Y104-H120 WeakPolarHBondContact CD1-NE2 3.27Å; Y104-H120 AromaticContact CE1-CD2 3.64Å; Y104-H120 AromaticContact CE1-CE1 3.69Å; Y104-H120 AromaticContact CE1-CG 3.78Å; Y104-H120 AromaticContact CE1-ND1 3.82Å; Y104-H120 AromaticContact CE1-NE2 3.59Å
105H97.7Very high96.6Very high113 Ų11362.5 Ų62.552%0.52333%0.332SS..  trans-127.4161178.1-56.587.1000111.5N103 G107 D108N103-H105 PolarHBondContact O-CE1 3.48Å; N103-H105 PolarHBondContact O-ND1 3.18Å; H105-G107 PolarHBondContact O-N 3.37Å; H105-D108 PolarHBondContact N-OD2 3.4Å; H105-D108 IonicContact ND1-OD2 3.86Å; H105-D108 VanDerWaalsContact O-CB 3.28Å; H105-D108 WeakPolarHBondContact O-CB 3.5Å; H105-D108 PolarHBondContact O-N 3.44Å
106I97.7Very high96.6Very high99 Ų9963.6 Ų63.651%0.50834%0.335SS..THydrogen-bonded Turntrans-60.6131.7173.1-62175.8000108.3I91I91-I106 HydrophobicContact CD1-CB 4.34Å; I91-I106 HydrophobicContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-CG1 3.49Å; I91-I106 VanDerWaalsContact CD1-N 3.34Å
107G97.6Very high96.6Very high48 Ų4862.4 Ų62.450%0.49533%0.327SS..THydrogen-bonded Turntrans92.2-10-175.600000114.4L85 H105 R109L85-G107 PolarHBondContact O-N 3.37Å; H105-G107 PolarHBondContact O-N 3.37Å; G107-R109 PolarHBondContact O-N 2.86Å
108D98Very high96.5Very high40 Ų4066 Ų6621%0.21434%0.344CS..  trans-63.2132.4174.8-79.1-12.7000110.5V84 L85 Y104 H105 H120V84-D108 WeakPolarHBondContact CA-O 3.37Å; L85-D108 HydrophobicContact CD1-CB 4.3Å; L85-D108 PolarHBondContact N-O 2.87Å; Y104-D108 WeakPolarHBondContact CA-OD2 3.47Å; H105-D108 PolarHBondContact N-OD2 3.4Å; H105-D108 IonicContact ND1-OD2 3.86Å; H105-D108 VanDerWaalsContact O-CB 3.28Å; H105-D108 WeakPolarHBondContact O-CB 3.5Å; H105-D108 PolarHBondContact O-N 3.44Å; D108-H120 IonicContact OD2-CD2 3.5Å; D108-H120 IonicContact OD2-NE2 2.91Å; D108-H120 PolarHBondContact OD2-NE2 3.17Å
109R97.8Very high96.6Very high122 Ų12264 Ų6446%0.4633%0.33SS..EExtended strand (participates in β ladder)trans-80.7124.2165.5-63.6-166.7-55.1-85-0.7108.8S83 V84 G107 Y121 N122S83-R109 CarbonylContact O-C 3.6Å; S83-R109 WeakPolarHBondContact O-CA 3.23Å; V84-R109 HydrophobicContact CG2-CG 4.27Å; G107-R109 PolarHBondContact O-N 2.86Å; R109-Y121 PolarHBondContact O-N 3.11Å; R109-N122 PolarHBondContact NH2-OD1 2.82Å
110I97Very high96.6Very high2 Ų262.8 Ų62.81%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-116151.5174.463.2168.1000110.2I82 S83 L85 L94 Y104 M118 F119I82-I110 WeakPolarHBondContact CA-O 3.34Å; S83-I110 PolarHBondContact N-O 3.06Å; S83-I110 PolarHBondContact O-N 2.89Å; S83-I110 WeakPolarHBondContact OG-CD1 3.19Å; S83-I110 WeakPolarHBondContact OG-CG1 3.44Å; L85-I110 HydrophobicContact CD1-CG2 3.9Å; L85-I110 HydrophobicContact CD2-CD1 3.79Å; L85-I110 HydrophobicContact CD2-CG1 4.48Å; L85-I110 HydrophobicContact CG-CD1 4.21Å; L85-I110 HydrophobicContact CG-CG1 4.45Å; L85-I110 HydrophobicContact CG-CG2 4.26Å; L94-I110 HydrophobicContact CD1-CD1 3.81Å; Y104-I110 HydrophobicContact CD1-CG2 3.7Å; Y104-I110 HydrophobicContact CE1-CG2 3.6Å; I110-M118 HydrophobicContact CD1-CE 3.91Å; I110-M118 HydrophobicContact CD1-SD 3.74Å; I110-F119 CarbonylContact C-O 3.52Å; I110-F119 WeakPolarHBondContact CA-O 3.5Å; I110-F119 WeakPolarHBondContact CB-O 3.34Å
111M95.5Very high96.5Very high0 Ų062.6 Ų62.60%032%0.316CS..EExtended strand (participates in β ladder)trans-123.9130.9175.2-177.6-174.9-75.900108.7L77 L80 P81 I82 F119 Y121 L124L77-M111 HydrophobicContact CD2-CE 4.03Å; L77-M111 HydrophobicContact CD2-SD 3.91Å; L77-M111 WeakPolarHBondContact O-CE 3.22Å; L80-M111 HydrophobicContact CB-CE 4.32Å; L80-M111 HydrophobicContact CB-CG 3.73Å; L80-M111 HydrophobicContact CB-SD 3.64Å; L80-M111 HydrophobicContact CD1-CG 4.28Å; L80-M111 HydrophobicContact CD1-SD 3.47Å; L80-M111 WeakPolarHBondContact CD1-SD 3.38Å; L80-M111 HydrophobicContact CG-SD 4.21Å; P81-M111 WeakPolarHBondContact O-CA 3.16Å; I82-M111 HydrophobicContact CD1-CE 4.15Å; I82-M111 HydrophobicContact CG1-CE 3.94Å; M111-F119 PolarHBondContact N-O 2.91Å; M111-F119 PolarHBondContact O-N 3.33Å; M111-F119 VanDerWaalsContact O-N 3.1Å; M111-Y121 HydrophobicContact CE-CD2 3.46Å; M111-Y121 VanDerWaalsContact CE-CD2 3.46Å; M111-Y121 HydrophobicContact CE-CE2 3.45Å; M111-Y121 VanDerWaalsContact CE-CE2 3.45Å; M111-L124 HydrophobicContact CB-CD2 3.94Å; M111-L124 HydrophobicContact CG-CD2 3.78Å; M111-L124 HydrophobicContact SD-CD2 3.55Å; M111-L124 VanDerWaalsContact SD-CD2 3.55Å; M111-L124 HydrophobicContact SD-CG 4.23Å
112G94.3Very high96.5Very high6 Ų660 Ų606%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-95.7143.3175.800000111.6P81P81-G112 WeakPolarHBondContact CD-O 3.45Å; P81-G112 WeakPolarHBondContact CG-O 3.39Å; P81-G112 PolarHBondContact O-N 3.46Å
113L94.3Very high96.4Very high8 Ų855.7 Ų55.74%0.04229%0.288CS..  trans-97162.8170.5-66.3-175.2000111.6L80 C115 F116 H117 F119 L124 C134 I141L80-L113 HydrophobicContact CD1-CD2 3.62Å; L80-L113 HydrophobicContact CD2-CD2 4.11Å; L113-C115 PolarHBondContact O-N 3.03Å; L113-C115 VanDerWaalsContact O-N 3.11Å; L113-F116 WeakPolarHBondContact O-CA 3.39Å; L113-F116 PolarHBondContact O-N 2.94Å; L113-H117 PolarHBondContact N-O 3.38Å; L113-F119 HydrophobicContact CD1-CD2 4.39Å; L113-F119 HydrophobicContact CD1-CE2 3.75Å; L113-F119 HydrophobicContact CG-CD2 4.45Å; L113-F119 HydrophobicContact CG-CE2 4.18Å; L113-L124 HydrophobicContact CD1-CD1 4.35Å; L113-L124 HydrophobicContact CD2-CD1 4.49Å; L113-L124 HydrophobicContact CD2-CD2 3.71Å; L113-L124 HydrophobicContact CG-CD2 4.04Å; L113-C134 HydrophobicContact CD1-CB 3.7Å; L113-I141 HydrophobicContact CD1-CD1 4.39Å; L113-I141 HydrophobicContact CD1-CG1 3.91Å; L113-I141 HydrophobicContact CD2-CB 4.41Å; L113-I141 HydrophobicContact CD2-CD1 4.27Å; L113-I141 HydrophobicContact CD2-CG1 3.8Å; L113-I141 HydrophobicContact CD2-CG2 3.89Å; L113-I141 HydrophobicContact CG-CG1 4.48Å
114P92.5Very high96.3Very high82 Ų8251.7 Ų51.753%0.53227%0.266SS..THydrogen-bonded Turntrans-58.6-24.7175-27.337.1000114.2L80 F116 I141L80-P114 HydrophobicContact CD2-CG 4.45Å; P114-F116 PolarHBondContact O-N 2.86Å; P114-I141 WeakPolarHBondContact CG-O 3.16Å
115C95Very high96.1Very high31 Ų3154.5 Ų54.521%0.20928%0.278CS..THydrogen-bonded Turntrans-81.513.4173.164.60000114.3L113 H117 C137 M139L113-C115 PolarHBondContact O-N 3.03Å; L113-C115 VanDerWaalsContact O-N 3.11Å; C115-H117 PolarHBondContact O-N 3.02Å; C115-H117 VanDerWaalsContact O-N 3.12Å; C115-H117 PolarHBondContact O-ND1 3.01Å; C115-H117 PolarHBondContact SG-ND1 3.32Å; C115-H117 VanDerWaalsContact SG-ND1 3.43Å; C115-C137 VanDerWaalsContact SG-SG 3.61Å; C115-M139 HydrophobicContact CB-CB 4.23Å; C115-M139 HydrophobicContact CB-CG 4.47Å
116F93.8Very high95.9Very high187 Ų18753 Ų5382%0.8228%0.276SS*.SBendtrans64.64.8178.6-54.1-77.6000117.1L113 P114L113-F116 WeakPolarHBondContact O-CA 3.39Å; L113-F116 PolarHBondContact O-N 2.94Å; P114-F116 PolarHBondContact O-N 2.86Å
117H96.4Very high95.7Very high61 Ų6152.3 Ų52.328%0.28227%0.267SS..  trans-75.5138170.7-67.3101000111L113 C115 F119 M136L113-H117 PolarHBondContact N-O 3.38Å; C115-H117 PolarHBondContact O-N 3.02Å; C115-H117 VanDerWaalsContact O-N 3.12Å; C115-H117 PolarHBondContact O-ND1 3.01Å; C115-H117 PolarHBondContact SG-ND1 3.32Å; C115-H117 VanDerWaalsContact SG-ND1 3.43Å; H117-F119 HydrophobicContact CB-CE2 3.61Å; H117-F119 HydrophobicContact CB-CZ 3.86Å; H117-M136 HydrophobicContact CB-CB 4.47Å; H117-M136 HydrophobicContact CB-CG 4.41Å
118M96.4Very high95.4Very high75 Ų7550 Ų5037%0.36924%0.244SC..EExtended strand (participates in β ladder)trans-115141.8-178.7-62.6-168.112800111.3L94 Y104 I110L94-M118 HydrophobicContact CD2-CB 4.43Å; L94-M118 HydrophobicContact CD2-CG 4.4Å; L94-M118 HydrophobicContact CD2-SD 3.42Å; L94-M118 WeakPolarHBondContact CD2-SD 3.36Å; Y104-M118 PolarHBondContact OH-O 2.75Å; I110-M118 HydrophobicContact CD1-CE 3.91Å; I110-M118 HydrophobicContact CD1-SD 3.74Å
119F97.7Very high94.9Very high1 Ų152.5 Ų52.50%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-139.5159.9-177.2-57-88.8000109.7S98 I99 Y104 I110 M111 L113 H117 Y121 L124 P135 M136S98-F119 WeakPolarHBondContact OG-CE1 3.43Å; I99-F119 HydrophobicContact CD1-CB 4.29Å; I99-F119 HydrophobicContact CD1-CD1 3.58Å; I99-F119 HydrophobicContact CD1-CE1 4.2Å; I99-F119 HydrophobicContact CD1-CG 4.1Å; I99-F119 HydrophobicContact CG1-CD1 3.78Å; I99-F119 HydrophobicContact CG1-CE1 4.13Å; Y104-F119 WeakPolarHBondContact OH-CA 3.37Å; Y104-F119 PolarHBondContact OH-N 3.34Å; I110-F119 CarbonylContact C-O 3.52Å; I110-F119 WeakPolarHBondContact CA-O 3.5Å; I110-F119 WeakPolarHBondContact CB-O 3.34Å; M111-F119 PolarHBondContact N-O 2.91Å; M111-F119 PolarHBondContact O-N 3.33Å; M111-F119 VanDerWaalsContact O-N 3.1Å; L113-F119 HydrophobicContact CD1-CD2 4.39Å; L113-F119 HydrophobicContact CD1-CE2 3.75Å; L113-F119 HydrophobicContact CG-CD2 4.45Å; L113-F119 HydrophobicContact CG-CE2 4.18Å; H117-F119 HydrophobicContact CB-CE2 3.61Å; H117-F119 HydrophobicContact CB-CZ 3.86Å; F119-Y121 PolarHBondContact O-N 3.03Å; F119-L124 HydrophobicContact CB-CB 3.86Å; F119-L124 HydrophobicContact CB-CD2 4.33Å; F119-L124 HydrophobicContact CB-CG 4.49Å; F119-L124 HydrophobicContact CD2-CD1 4.01Å; F119-L124 HydrophobicContact CD2-CD2 3.96Å; F119-L124 HydrophobicContact CD2-CG 4.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CG-CB 4.43Å; F119-L124 HydrophobicContact CG-CD1 4.28Å; F119-L124 HydrophobicContact CG-CD2 4.48Å; F119-P135 HydrophobicContact CD1-CG 4.29Å; F119-P135 HydrophobicContact CE1-CB 3.86Å; F119-P135 HydrophobicContact CE1-CG 3.6Å; F119-P135 HydrophobicContact CE2-CG 4.45Å; F119-P135 HydrophobicContact CZ-CB 4.1Å; F119-P135 HydrophobicContact CZ-CG 3.71Å; F119-M136 HydrophobicContact CE1-CG 3.96Å; F119-M136 HydrophobicContact CZ-CB 4.47Å; F119-M136 HydrophobicContact CZ-CG 3.71Å
120H98.1Very high94.5Very high26 Ų2653.8 Ų53.812%0.1226%0.263CS..EExtended strand (participates in β ladder)trans-58136.6163.3-68111.4000109.6C97 C100 Y104 D108 N122 C123 L124C97-H120 VanDerWaalsContact CB-ND1 3.34Å; C97-H120 WeakPolarHBondContact CB-ND1 3.14Å; C100-H120 PolarHBondContact SG-ND1 2.99Å; C100-H120 VanDerWaalsContact SG-ND1 3.44Å; Y104-H120 AromaticContact CD1-CD2 3.63Å; Y104-H120 AromaticContact CD1-CE1 3.71Å; Y104-H120 AromaticContact CD1-NE2 3.27Å; Y104-H120 VanDerWaalsContact CD1-NE2 3.27Å; Y104-H120 WeakPolarHBondContact CD1-NE2 3.27Å; Y104-H120 AromaticContact CE1-CD2 3.64Å; Y104-H120 AromaticContact CE1-CE1 3.69Å; Y104-H120 AromaticContact CE1-CG 3.78Å; Y104-H120 AromaticContact CE1-ND1 3.82Å; Y104-H120 AromaticContact CE1-NE2 3.59Å; D108-H120 IonicContact OD2-CD2 3.5Å; D108-H120 IonicContact OD2-NE2 2.91Å; D108-H120 PolarHBondContact OD2-NE2 3.17Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 3.36Å; H120-C123 HydrophobicContact CB-CB 3.96Å; H120-C123 PolarHBondContact O-N 2.83Å; H120-L124 PolarHBondContact O-N 3.43Å
121Y96.2Very high94.3Very high45 Ų4557.4 Ų57.418%0.17628%0.282CS..Hα-helixtrans-49.5-50.4178.8171-90.1000111.5I82 R109 M111 F119 C123 L124 Y125I82-Y121 HydrophobicContact CD1-CD2 3.77Å; I82-Y121 HydrophobicContact CD1-CE2 3.52Å; I82-Y121 HydrophobicContact CG1-CD2 4.01Å; I82-Y121 HydrophobicContact CG1-CE2 4.24Å; I82-Y121 HydrophobicContact CG2-CD2 4.36Å; R109-Y121 PolarHBondContact O-N 3.11Å; M111-Y121 HydrophobicContact CE-CD2 3.46Å; M111-Y121 VanDerWaalsContact CE-CD2 3.46Å; M111-Y121 HydrophobicContact CE-CE2 3.45Å; M111-Y121 VanDerWaalsContact CE-CE2 3.45Å; F119-Y121 PolarHBondContact O-N 3.03Å; Y121-C123 PolarHBondContact O-N 3.06Å; Y121-L124 PolarHBondContact O-N 3.1Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.47Å; Y121-Y125 PolarHBondContact O-N 2.91Å
122N96.1Very high94Very high99 Ų9958.7 Ų58.753%0.52929%0.289SS..Hα-helixtrans-65.4-37.7-179.1-64.6-20.3000112.5R109 H120 V126R109-N122 PolarHBondContact NH2-OD1 2.82Å; H120-N122 VanDerWaalsContact C-N 3.29Å; H120-N122 PolarHBondContact O-N 3.36Å; N122-V126 WeakPolarHBondContact O-CG2 3.3Å; N122-V126 PolarHBondContact O-N 3.11Å
123C97.4Very high94Very high28 Ų2863.3 Ų63.319%0.18931%0.309CS..Hα-helixtrans-66.4-45.1-179.8-70.50000110.8I99 H120 Y121 W127I99-C123 HydrophobicContact CB-CB 3.91Å; I99-C123 HydrophobicContact CD1-CB 3.87Å; I99-C123 HydrophobicContact CG1-CB 4.5Å; I99-C123 HydrophobicContact CG2-CB 3.86Å; H120-C123 HydrophobicContact CB-CB 3.96Å; H120-C123 PolarHBondContact O-N 2.83Å; Y121-C123 PolarHBondContact O-N 3.06Å; C123-W127 WeakPolarHBondContact O-CB 3.47Å; C123-W127 PolarHBondContact O-N 3.35Å; C123-W127 VanDerWaalsContact O-N 3.14Å
124L94.8Very high94Very high0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-70.4-36.7178.6-171.659.7000112I99 M111 L113 F119 H120 Y121 V126 W127 I128 P135I99-L124 HydrophobicContact CD1-CB 4.47Å; I99-L124 HydrophobicContact CD1-CD1 4.44Å; M111-L124 HydrophobicContact CB-CD2 3.94Å; M111-L124 HydrophobicContact CG-CD2 3.78Å; M111-L124 HydrophobicContact SD-CD2 3.55Å; M111-L124 VanDerWaalsContact SD-CD2 3.55Å; M111-L124 HydrophobicContact SD-CG 4.23Å; L113-L124 HydrophobicContact CD1-CD1 4.35Å; L113-L124 HydrophobicContact CD2-CD1 4.49Å; L113-L124 HydrophobicContact CD2-CD2 3.71Å; L113-L124 HydrophobicContact CG-CD2 4.04Å; F119-L124 HydrophobicContact CB-CB 3.86Å; F119-L124 HydrophobicContact CB-CD2 4.33Å; F119-L124 HydrophobicContact CB-CG 4.49Å; F119-L124 HydrophobicContact CD2-CD1 4.01Å; F119-L124 HydrophobicContact CD2-CD2 3.96Å; F119-L124 HydrophobicContact CD2-CG 4.45Å; F119-L124 HydrophobicContact CE2-CD1 4.44Å; F119-L124 HydrophobicContact CG-CB 4.43Å; F119-L124 HydrophobicContact CG-CD1 4.28Å; F119-L124 HydrophobicContact CG-CD2 4.48Å; H120-L124 PolarHBondContact O-N 3.43Å; Y121-L124 PolarHBondContact O-N 3.1Å; L124-V126 PolarHBondContact O-N 2.78Å; L124-W127 WeakPolarHBondContact O-CB 3.44Å; L124-W127 PolarHBondContact O-N 3.43Å; L124-I128 HydrophobicContact CD1-CD1 3.82Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CD2-CD1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.66Å; L124-I128 HydrophobicContact CG-CG1 4.19Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.02Å; L124-I128 PolarHBondContact O-N 3.11Å; L124-P135 HydrophobicContact CD1-CG 4.48Å
125Y93.2Very high94.2Very high72 Ų7260.7 Ų60.728%0.28229%0.292SS..Hα-helixtrans-53.4-55.1174.5-174.4-85.8000111.6L77 Y121 W127 I128 E129L77-Y125 HydrophobicContact CD1-CD2 3.65Å; L77-Y125 HydrophobicContact CD1-CE2 3.87Å; L77-Y125 HydrophobicContact CD1-CG 4.23Å; L77-Y125 HydrophobicContact CD2-CD2 4.34Å; L77-Y125 HydrophobicContact CG-CD2 4.47Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.47Å; Y121-Y125 PolarHBondContact O-N 2.91Å; Y125-W127 VanDerWaalsContact C-N 3.28Å; Y125-W127 PolarHBondContact O-N 3.12Å; Y125-I128 PolarHBondContact O-N 3.43Å; Y125-E129 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E129 WeakPolarHBondContact CE1-OE1 3.11Å; Y125-E129 PolarHBondContact O-N 3.42Å
126V93.4Very high94.3Very high80 Ų8063.8 Ų63.849%0.48531%0.305SS..Hα-helixtrans-64.1-33.71791760000112.1N122 L124N122-V126 WeakPolarHBondContact O-CG2 3.3Å; N122-V126 PolarHBondContact O-N 3.11Å; L124-V126 PolarHBondContact O-N 2.78Å
127W94.2Very high94.4Very high85 Ų8557.4 Ų57.432%0.32228%0.283SS..Hα-helixtrans-64.2-45.8175.9178.9-90.7000111.9I99 C123 L124 Y125 E129 K130 N131 Q133 P135I99-W127 HydrophobicContact CD1-CB 4.1Å; I99-W127 HydrophobicContact CD1-CG 4.49Å; C123-W127 WeakPolarHBondContact O-CB 3.47Å; C123-W127 PolarHBondContact O-N 3.35Å; C123-W127 VanDerWaalsContact O-N 3.14Å; L124-W127 WeakPolarHBondContact O-CB 3.44Å; L124-W127 PolarHBondContact O-N 3.43Å; Y125-W127 VanDerWaalsContact C-N 3.28Å; Y125-W127 PolarHBondContact O-N 3.12Å; W127-E129 VanDerWaalsContact C-N 3.3Å; W127-E129 PolarHBondContact O-N 2.88Å; W127-K130 PolarHBondContact O-N 3.1Å; W127-N131 HydrophobicContact CD2-CB 4.49Å; W127-N131 HydrophobicContact CZ2-CB 4.12Å; W127-N131 PolarHBondContact O-N 3.35Å; W127-Q133 PolarHBondContact NE1-O 3.32Å; W127-P135 HydrophobicContact CD2-CB 4.36Å; W127-P135 HydrophobicContact CD2-CG 3.81Å; W127-P135 HydrophobicContact CE3-CG 4.46Å; W127-P135 HydrophobicContact CG-CG 3.96Å; W127-P135 HydrophobicContact CH2-CB 4.32Å; W127-P135 HydrophobicContact CZ2-CB 3.99Å; W127-P135 HydrophobicContact CZ2-CG 4.13Å
128I90.7Very high94.4Very high1 Ų163.8 Ų63.81%0.00530%0.304CS..Hα-helixtrans-70.2-26.6-173.2-69.5-179000112.5R73 L77 L80 L124 Y125 K130 N131 L132 I141R73-I128 HydrophobicContact CB-CG2 4.46Å; R73-I128 WeakPolarHBondContact CD-O 3.28Å; R73-I128 PolarHBondContact NE-O 2.97Å; L77-I128 HydrophobicContact CD1-CB 4.06Å; L77-I128 HydrophobicContact CD1-CG2 3.91Å; L77-I128 HydrophobicContact CD2-CB 3.96Å; L77-I128 HydrophobicContact CD2-CD1 3.49Å; L77-I128 VanDerWaalsContact CD2-CD1 3.49Å; L77-I128 HydrophobicContact CD2-CG1 4.18Å; L77-I128 HydrophobicContact CD2-CG2 4.17Å; L77-I128 HydrophobicContact CG-CB 4.05Å; L77-I128 HydrophobicContact CG-CD1 4.14Å; L77-I128 HydrophobicContact CG-CG2 3.76Å; L80-I128 HydrophobicContact CD1-CD1 4.09Å; L124-I128 HydrophobicContact CD1-CD1 3.82Å; L124-I128 HydrophobicContact CD1-CG1 4Å; L124-I128 HydrophobicContact CD2-CD1 4.24Å; L124-I128 HydrophobicContact CG-CD1 3.66Å; L124-I128 HydrophobicContact CG-CG1 4.19Å; L124-I128 WeakPolarHBondContact O-CB 3.42Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.02Å; L124-I128 PolarHBondContact O-N 3.11Å; Y125-I128 PolarHBondContact O-N 3.43Å; I128-K130 PolarHBondContact O-N 3.28Å; I128-N131 WeakPolarHBondContact CA-O 3.35Å; I128-L132 HydrophobicContact CG2-CD2 3.53Å; I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CD1-CG1 4.46Å; I128-I141 HydrophobicContact CD1-CG2 4.35Å; I128-I141 HydrophobicContact CG1-CD1 3.47Å; I128-I141 VanDerWaalsContact CG1-CD1 3.47Å
129E88.3Confident94.3Very high91 Ų9164.7 Ų64.743%0.42531%0.309SS..THydrogen-bonded Turntrans-51.7-29.5168.8-70.4-178.8173.800112.7R73 Y125 W127R73-E129 WeakPolarHBondContact CD-O 3.43Å; R73-E129 VanDerWaalsContact CZ-O 3.24Å; R73-E129 PolarHBondContact NE-O 3.02Å; R73-E129 PolarHBondContact NH1-O 2.98Å; Y125-E129 VanDerWaalsContact CE1-OE1 3.28Å; Y125-E129 WeakPolarHBondContact CE1-OE1 3.11Å; Y125-E129 PolarHBondContact O-N 3.42Å; W127-E129 VanDerWaalsContact C-N 3.3Å; W127-E129 PolarHBondContact O-N 2.88Å
130K89Confident94Very high150 Ų15067.9 Ų67.965%0.65233%0.33SS*.THydrogen-bonded Turntrans-111.9-37.5-176.8-61.5177.5-175.4174.20113.1R73 W127 I128R73-K130 PolarHBondContact NH2-O 3.45Å; W127-K130 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.28Å
131N92.1Very high93.7Very high77 Ų7767 Ų6741%0.41233%0.326SS..  trans-133.9124.1-170.1-63.9-75.9000112.1W127 I128 Q133W127-N131 HydrophobicContact CD2-CB 4.49Å; W127-N131 HydrophobicContact CZ2-CB 4.12Å; W127-N131 PolarHBondContact O-N 3.35Å; I128-N131 WeakPolarHBondContact CA-O 3.35Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å
132L90.5Very high93Very high27 Ų2767.8 Ų67.814%0.14133%0.329CS..  trans-95.528.2-178.2-66.9166.7000113L69 R73 L76 I128 I141 Y142L69-L132 HydrophobicContact CD1-CD1 4.43Å; R73-L132 HydrophobicContact CB-CD2 4.48Å; R73-L132 HydrophobicContact CG-CD1 3.93Å; R73-L132 HydrophobicContact CG-CD2 3.69Å; R73-L132 HydrophobicContact CG-CG 4.23Å; L76-L132 HydrophobicContact CD1-CD2 4.49Å; I128-L132 HydrophobicContact CG2-CD2 3.53Å; L132-I141 PolarHBondContact O-N 3.3Å; L132-Y142 HydrophobicContact CB-CE1 3.61Å; L132-Y142 HydrophobicContact CD1-CE1 3.84Å; L132-Y142 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y142 HydrophobicContact CD2-CE1 3.66Å; L132-Y142 HydrophobicContact CG-CE1 3.82Å
133Q93.3Very high91.6Very high103 Ų10370.3 Ų70.348%0.48134%0.337SS..BIsolated β-bridgetrans-126.3149.2179.1-68.3170.125.500109.8W127 N131 R138 M139W127-Q133 PolarHBondContact NE1-O 3.32Å; N131-Q133 VanDerWaalsContact C-N 3.27Å; N131-Q133 PolarHBondContact O-N 3.24Å; Q133-R138 WeakPolarHBondContact CG-O 3.48Å; Q133-R138 PolarHBondContact OE1-O 2.75Å; Q133-M139 CarbonylContact C-O 3.57Å; Q133-M139 WeakPolarHBondContact CA-O 3.43Å
134C95.6Very high89.7Confident2 Ų275.6 Ų75.61%0.01436%0.363CS..  trans-58.4128175177.20000111.2L113 M136 C137 R138 M139L113-C134 HydrophobicContact CD1-CB 3.7Å; C134-M136 PolarHBondContact O-N 3.03Å; C134-M136 VanDerWaalsContact O-N 3.11Å; C134-M136 PolarHBondContact SG-N 2.94Å; C134-M136 VanDerWaalsContact SG-N 3.36Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C134-R138 WeakPolarHBondContact O-CA 3.41Å; C134-R138 PolarHBondContact O-N 3.28Å; C134-M139 PolarHBondContact N-O 3.13Å
135P96.3Very high87.1Confident33 Ų3385.5 Ų85.521%0.21442%0.415CS..THydrogen-bonded Turntrans-56.7-26.5175.4-19.924.3000114.3I99 F119 L124 W127I99-P135 HydrophobicContact CD1-CG 3.88Å; I99-P135 HydrophobicContact CG1-CB 4.21Å; I99-P135 HydrophobicContact CG1-CG 3.92Å; F119-P135 HydrophobicContact CD1-CG 4.29Å; F119-P135 HydrophobicContact CE1-CB 3.86Å; F119-P135 HydrophobicContact CE1-CG 3.6Å; F119-P135 HydrophobicContact CE2-CG 4.45Å; F119-P135 HydrophobicContact CZ-CB 4.1Å; F119-P135 HydrophobicContact CZ-CG 3.71Å; L124-P135 HydrophobicContact CD1-CG 4.48Å; W127-P135 HydrophobicContact CD2-CB 4.36Å; W127-P135 HydrophobicContact CD2-CG 3.81Å; W127-P135 HydrophobicContact CE3-CG 4.46Å; W127-P135 HydrophobicContact CG-CG 3.96Å; W127-P135 HydrophobicContact CH2-CB 4.32Å; W127-P135 HydrophobicContact CZ2-CB 3.99Å; W127-P135 HydrophobicContact CZ2-CG 4.13Å
136M96.4Very high86.8Confident96 Ų9686.2 Ų86.247%0.47342%0.422SS..THydrogen-bonded Turntrans-89-53.7-174.9-68-72.3-87.400112.9S98 H117 F119 C134S98-M136 WeakPolarHBondContact CB-SD 3.38Å; S98-M136 WeakPolarHBondContact OG-CG 3.19Å; S98-M136 PolarHBondContact OG-SD 3.47Å; H117-M136 HydrophobicContact CB-CB 4.47Å; H117-M136 HydrophobicContact CB-CG 4.41Å; F119-M136 HydrophobicContact CE1-CG 3.96Å; F119-M136 HydrophobicContact CZ-CB 4.47Å; F119-M136 HydrophobicContact CZ-CG 3.71Å; C134-M136 PolarHBondContact O-N 3.03Å; C134-M136 VanDerWaalsContact O-N 3.11Å; C134-M136 PolarHBondContact SG-N 2.94Å; C134-M136 VanDerWaalsContact SG-N 3.36Å
137C96.9Very high86.4Confident53 Ų5386.5 Ų86.536%0.35842%0.419SS..THydrogen-bonded Turntrans-112.8-3.2-172.364.20000114.4C115 C134 M139C115-C137 VanDerWaalsContact SG-SG 3.61Å; C134-C137 VanDerWaalsContact SG-SG 3.61Å; C137-M139 HydrophobicContact CB-CG 4.38Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-M139 VanDerWaalsContact SG-CG 3.52Å
138R95.3Very high86Confident195 Ų19586.6 Ų86.674%0.73642%0.424SS*.  trans61.37.9-177.7-51.6-178.5-178.3-176.3-0.6115.4Q133 C134Q133-R138 WeakPolarHBondContact CG-O 3.48Å; Q133-R138 PolarHBondContact OE1-O 2.75Å; C134-R138 WeakPolarHBondContact O-CA 3.41Å; C134-R138 PolarHBondContact O-N 3.28Å
139M94.7Very high85.7Confident95 Ų9591.6 Ų91.647%0.46845%0.449SS..  trans-59.7139.4169.6-69-66.4-68.200109.7C115 Q133 C134 C137C115-M139 HydrophobicContact CB-CB 4.23Å; C115-M139 HydrophobicContact CB-CG 4.47Å; Q133-M139 CarbonylContact C-O 3.57Å; Q133-M139 WeakPolarHBondContact CA-O 3.43Å; C134-M139 PolarHBondContact N-O 3.13Å; C137-M139 HydrophobicContact CB-CG 4.38Å; C137-M139 PolarHBondContact O-N 2.87Å; C137-M139 VanDerWaalsContact SG-CG 3.52Å
140P91.7Very high85.6Confident68 Ų6891.7 Ų91.744%0.44245%0.45SS..BIsolated β-bridgetrans-52.5142.1171.8-24.834.5000111.2Y142P140-Y142 VanDerWaalsContact CB-O 3.23Å; P140-Y142 WeakPolarHBondContact CB-O 3.27Å
141I90.8Very high85.4Confident7 Ų787.8 Ų87.84%0.03644%0.437CS..SBendtrans-72.7-23.8176-73.1163000111.2L80 L113 P114 I128 L132L80-I141 HydrophobicContact CD1-CG2 3.89Å; L80-I141 HydrophobicContact CD2-CG2 4.19Å; L113-I141 HydrophobicContact CD1-CD1 4.39Å; L113-I141 HydrophobicContact CD1-CG1 3.91Å; L113-I141 HydrophobicContact CD2-CB 4.41Å; L113-I141 HydrophobicContact CD2-CD1 4.27Å; L113-I141 HydrophobicContact CD2-CG1 3.8Å; L113-I141 HydrophobicContact CD2-CG2 3.89Å; L113-I141 HydrophobicContact CG-CG1 4.48Å; P114-I141 WeakPolarHBondContact CG-O 3.16Å; I128-I141 HydrophobicContact CD1-CD1 3.38Å; I128-I141 HydrophobicContact CD1-CG1 4.46Å; I128-I141 HydrophobicContact CD1-CG2 4.35Å; I128-I141 HydrophobicContact CG1-CD1 3.47Å; I128-I141 VanDerWaalsContact CG1-CD1 3.47Å; L132-I141 PolarHBondContact O-N 3.3Å
142Y82.7Confident84.9Confident62 Ų6288.6 Ų88.624%0.24344%0.439CS..SBendtrans-142.2145.9175.856.1-89.6000108L76 L132 P140 I144L76-Y142 HydrophobicContact CB-CD1 4.4Å; L76-Y142 HydrophobicContact CD1-CD1 3.25Å; L76-Y142 HydrophobicContact CD1-CD2 4.39Å; L76-Y142 HydrophobicContact CD1-CE1 3.14Å; L76-Y142 HydrophobicContact CD1-CE2 4.34Å; L76-Y142 HydrophobicContact CD1-CG 3.9Å; L76-Y142 HydrophobicContact CD2-CD1 3.73Å; L76-Y142 HydrophobicContact CD2-CD2 4.41Å; L76-Y142 HydrophobicContact CD2-CE1 4.46Å; L76-Y142 HydrophobicContact CD2-CG 3.69Å; L76-Y142 HydrophobicContact CG-CD1 3.97Å; L76-Y142 HydrophobicContact CG-CE1 4.31Å; L76-Y142 HydrophobicContact CG-CG 4.39Å; L132-Y142 HydrophobicContact CB-CE1 3.61Å; L132-Y142 HydrophobicContact CD1-CE1 3.84Å; L132-Y142 WeakPolarHBondContact CD1-OH 3.42Å; L132-Y142 HydrophobicContact CD2-CE1 3.66Å; L132-Y142 HydrophobicContact CG-CE1 3.82Å; P140-Y142 VanDerWaalsContact CB-O 3.23Å; P140-Y142 WeakPolarHBondContact CB-O 3.27Å; Y142-I144 HydrophobicContact CD2-CD1 4.18Å; Y142-I144 HydrophobicContact CD2-CG1 3.55Å; Y142-I144 HydrophobicContact CE2-CD1 3.52Å; Y142-I144 HydrophobicContact CE2-CG1 3.43Å; Y142-I144 VanDerWaalsContact CE2-CG1 3.43Å
143E66.8Low84.4Confident151 Ų15193.3 Ų93.371%0.70646%0.462SS*.  trans-93.5120.5164-69.1176.1179.100106.1D145E143-D145 PolarHBondContact O-N 3.22Å
144I56.1Low83.7Confident140 Ų14092.5 Ų92.572%0.71846%0.46SS*.  trans-85.8102.1163.5-58.9170.9000104.1Y142Y142-I144 HydrophobicContact CD2-CD1 4.18Å; Y142-I144 HydrophobicContact CD2-CG1 3.55Å; Y142-I144 HydrophobicContact CE2-CD1 3.52Å; Y142-I144 HydrophobicContact CE2-CG1 3.43Å; Y142-I144 VanDerWaalsContact CE2-CG1 3.43Å
145D41.1Very low82.6Confident208 Ų208100.7 Ų100.7100%1.11250%0.501SS*.  trans-76.30162.9-70.7-29.6000110.8E143E143-D145 PolarHBondContact O-N 3.22Å

Retrieved 145 of 145 residues in 62.9 ms (Link to these results)