A0A060YA88_ONCMY Loading...

R3H domain containing 4

AlphaFold DB , UniProt , Accession A0A060YA88, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene r3hdm4, Length 253 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
1M35.7Very low33.2Very low247 Ų247143.5 Ų143.5100%1.21775%0.75SS**  0144.40-164.8174.2-83.600107.9
2V25.8Very low33.2Very low119 Ų119144 Ų14472%0.72175%0.754SS**  trans-76133.5-152.61700000113
3V29.9Very low33.6Very low111 Ų111146.3 Ų146.367%0.67377%0.765SS**  25.9134.6128.5-155.50000118.2
4L30.4Very low33.6Very low133 Ų133146.1 Ų146.170%0.69676%0.763SS**  153.3121.3116.1-101.1117000113.7
5T34.8Very low34.1Very low99 Ų99147.5 Ų147.561%0.60777%0.77SS**  71.4123.212364.70000123.1
6N33.6Very low34.3Very low127 Ų127148 Ų14868%0.67977%0.772SS**  76.4131.5113.6-67.50.4000122.2
7N33.3Very low34.4Very low135 Ų135149.4 Ų149.472%0.72277%0.774SS**  trans72.2112.5130.8-65.2-0.9000117.4
8N34.6Very low34.9Very low139 Ų139151.6 Ų151.674%0.74378%0.78SS**  80110.378.1-153.953.1000109.4
9E33.6Very low35Very low171 Ų171155.8 Ų155.880%0.79979%0.785SS**  trans172.7112.5135.7-93.1165.1-157.700109.9
10E36.8Very low35.5Very low154 Ų154158.2 Ų158.272%0.7279%0.79SS**  trans41112.6130.7-62.2-156.8137.800118.4
11Q36.9Very low35.4Very low144 Ų144156.3 Ų156.367%0.67379%0.79SS**  111.3127.788.8-88.2-177.743.500106.1
12D32.5Very low35.6Very low149 Ų149150.3 Ų150.380%0.79777%0.768SS**  trans176.9117.1131.6-90.8-23.4000110.5
13I39.3Very low36.6Very low174 Ų174149.8 Ų149.889%0.89277%0.769SS**  trans-87.3112.4171.9-64170.3000106.5
14I33.9Very low37.2Very low144 Ų144152.4 Ų152.474%0.73878%0.778SS**  trans-132.5132.7165.7-60-178.6000110.6
15L40.1Very low37.8Very low167 Ų167151.9 Ų151.987%0.87478%0.783SS**  trans-50.2132.9178.9-71.5137.6000114.5
16I37.9Very low38Very low155 Ų155154.7 Ų154.780%0.79579%0.794SS**  trans-136.1102.9156.4-58.3-179.9000109.2
17E35.6Very low38.5Very low172 Ų172153.9 Ų153.980%0.80480%0.799SS**  51.6140.6118.4-146.5162.3-174.100121R19E17-R19 PolarHBondContact O-N 2.75Å
18E43.1Very low39.1Very low189 Ų189152.3 Ų152.388%0.88380%0.796SS**  trans-41.6115.7-170.5-61.2-177.6144.300115.7
19R37.3Very low39.7Very low232 Ų232150 Ų15088%0.87580%0.796SS**  trans-107.2103.1151.9-73.4-172.9179.8139.61.6109.7E17 C21E17-R19 PolarHBondContact O-N 2.75Å; R19-C21 PolarHBondContact O-N 2.75Å
20K44.6Very low40.6Very low203 Ų203150.1 Ų150.188%0.88379%0.794SS**  trans-50.295.1165-163.4177.4-171.3177.10109.7
21C34.5Very low41.7Very low119 Ų119154.6 Ų154.680%0.80480%0.804SS**  trans-89.9110.4170.3-76.60000109.3R19 S23R19-C21 PolarHBondContact O-N 2.75Å; C21-S23 PolarHBondContact O-N 3.16Å
22T40.3Very low42.4Very low121 Ų121151.4 Ų151.474%0.74280%0.795SS**  trans-63.1118.7169.539.30000110.9
23S45.8Very low43.7Very low108 Ų108146.6 Ų146.676%0.75577%0.773SS**  trans46.3101.5151.661.80000118.7C21C21-S23 PolarHBondContact O-N 3.16Å
24L42.9Very low44.6Very low165 Ų165143.7 Ų143.786%0.86477%0.765SS**  trans-97.5129.6146.6-73.2169.4000108.4N26L24-N26 PolarHBondContact O-N 3.04Å
25P43.5Very low45.8Very low123 Ų123141.8 Ų141.880%0.79976%0.76SS**  trans-67.2122.9175.925.9-30.6000109.6S27P25-S27 PolarHBondContact O-N 3.3Å
26N38Very low46.9Very low157 Ų157140.5 Ų140.584%0.8475%0.748SS**  trans-42.8122.3169.3-81.6-28.7000111.1L24L24-N26 PolarHBondContact O-N 3.04Å
27S45.2Very low48.3Very low111 Ų111139 Ų13978%0.77674%0.735SS**  trans-57.4121.5166.5-1590000108.7P25 A29P25-S27 PolarHBondContact O-N 3.3Å; S27-A29 PolarHBondContact O-N 3.14Å
28P44.9Very low49.8Very low101 Ų101137.9 Ų137.966%0.65673%0.728SS**  trans-82.580.3-179.634-30.9000107.6K30P28-K30 HydrophobicContact CB-CG 4.4Å; P28-K30 PolarHBondContact O-N 3.44Å
29A47.8Very low51.1Low91 Ų91133.8 Ų133.875%0.75271%0.708SS**  trans-64.780.1154.700000106.8S27 R31S27-A29 PolarHBondContact O-N 3.14Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.93Å
30K52.5Low52.7Low173 Ų173127.8 Ų127.875%0.75269%0.689SS**  trans-60.5100.2172.8-75.4-179.1-179.9175.50105.9P28 V32P28-K30 HydrophobicContact CB-CG 4.4Å; P28-K30 PolarHBondContact O-N 3.44Å; K30-V32 HydrophobicContact CB-CG2 4.25Å; K30-V32 WeakPolarHBondContact O-CG2 3.31Å; K30-V32 PolarHBondContact O-N 2.8Å
31R58.2Low54Low249 Ų249123.7 Ų123.794%0.9467%0.671SS**  trans-62.886.5162.5-68.9-172.8-173.6-176.62.7106.5A29 S33A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.93Å; R31-S33 PolarHBondContact O-N 3.09Å
32V52.8Low55.5Low77 Ų77121.3 Ų121.347%0.46765%0.65SS.*  trans-68.1118.2174-1760000105.8K30 K36 K37K30-V32 HydrophobicContact CB-CG2 4.25Å; K30-V32 WeakPolarHBondContact O-CG2 3.31Å; K30-V32 PolarHBondContact O-N 2.8Å; V32-K36 HydrophobicContact CG1-CB 3.3Å; V32-K37 HydrophobicContact CG1-CB 4.31Å
33S59.4Low56.7Low48 Ų48118.7 Ų118.734%0.33663%0.632SS.*  trans-53.9148.2177.959.50000110.3R31 T35 K36 K37R31-S33 PolarHBondContact O-N 3.09Å; S33-T35 PolarHBondContact O-N 2.7Å; S33-K36 WeakPolarHBondContact O-CA 3.27Å; S33-K36 PolarHBondContact O-N 2.72Å; S33-K36 WeakPolarHBondContact OG-CG 3.44Å; S33-K36 PolarHBondContact OG-N 2.84Å; S33-K37 PolarHBondContact O-N 3.45Å
34P59.4Low57.6Low113 Ų113117.5 Ų117.573%0.73461%0.614SS**Hα-helixtrans-50.8-35.8-179.7-26.933.8000112.7K37 K38P34-K37 PolarHBondContact O-N 3.08Å; P34-K38 WeakPolarHBondContact O-CB 3.09Å; P34-K38 PolarHBondContact O-N 2.83Å
35T58.3Low58.4Low103 Ų103112.7 Ų112.763%0.63260%0.598SS**Hα-helixtrans-63.6-43.8174.6-39.60000112.8S33 K37 K38 Q39S33-T35 PolarHBondContact O-N 2.7Å; T35-K37 VanDerWaalsContact C-N 3.35Å; T35-K38 PolarHBondContact O-N 3.23Å; T35-Q39 WeakPolarHBondContact O-CB 3.33Å; T35-Q39 PolarHBondContact O-N 2.81Å
36K62.6Low59.1Low141 Ų141110.8 Ų110.861%0.61358%0.58SS**Hα-helixtrans-70.5-31.6176.8-75.2177179.6176.80111.9V32 S33 F40V32-K36 HydrophobicContact CG1-CB 3.3Å; S33-K36 WeakPolarHBondContact O-CA 3.27Å; S33-K36 PolarHBondContact O-N 2.72Å; S33-K36 WeakPolarHBondContact OG-CG 3.44Å; S33-K36 PolarHBondContact OG-N 2.84Å; K36-F40 WeakPolarHBondContact O-CB 3.39Å; K36-F40 PolarHBondContact O-N 3.15Å
37K67.1Low60Low123 Ų123112 Ų11254%0.53557%0.573SS.*Hα-helixtrans-70.3-41.7174.1-166.7174.2-177.11800111.2V32 S33 P34 T35 F40 F41V32-K37 HydrophobicContact CG1-CB 4.31Å; S33-K37 PolarHBondContact O-N 3.45Å; P34-K37 PolarHBondContact O-N 3.08Å; T35-K37 VanDerWaalsContact C-N 3.35Å; K37-F40 WeakPolarHBondContact O-CB 3.46Å; K37-F40 PolarHBondContact O-N 2.66Å; K37-F41 HydrophobicContact CD-CE2 4.32Å; K37-F41 HydrophobicContact CG-CD2 4.13Å; K37-F41 HydrophobicContact CG-CE2 3.67Å; K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 PolarHBondContact O-N 3Å; K37-F41 VanDerWaalsContact O-N 3.09Å
38K67.2Low60.5Low148 Ų148112.8 Ų112.864%0.64357%0.569SS**Hα-helixtrans-61.8-45.1171.5-170.1178.9177.9-179.50111.4P34 T35 F40 F41 I42P34-K38 WeakPolarHBondContact O-CB 3.09Å; P34-K38 PolarHBondContact O-N 2.83Å; T35-K38 PolarHBondContact O-N 3.23Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.11Å; K38-F41 PolarHBondContact O-N 2.93Å; K38-I42 HydrophobicContact CG-CD1 3.85Å; K38-I42 WeakPolarHBondContact O-CB 3.37Å; K38-I42 VanDerWaalsContact O-CG1 3.24Å; K38-I42 WeakPolarHBondContact O-CG1 3.48Å; K38-I42 PolarHBondContact O-N 3.11Å
39Q70.3Confident61.1Low103 Ų103110 Ų11048%0.48155%0.551SS.*Hα-helixtrans-61.1-36.8175.2-152.577.28.500112.1T35 N43T35-Q39 WeakPolarHBondContact O-CB 3.33Å; T35-Q39 PolarHBondContact O-N 2.81Å; Q39-N43 WeakPolarHBondContact O-CB 3.47Å; Q39-N43 PolarHBondContact O-N 2.86Å; Q39-N43 PolarHBondContact O-ND2 3.21Å; Q39-N43 VanDerWaalsContact O-ND2 3.17Å
40F71.7Confident61.4Low106 Ų106113.7 Ų113.747%0.46556%0.559SS.*Hα-helixtrans-63.5-48.5176.4176.9-92.7000111.8K36 K37 K38 N43 Q44K36-F40 WeakPolarHBondContact O-CB 3.39Å; K36-F40 PolarHBondContact O-N 3.15Å; K37-F40 WeakPolarHBondContact O-CB 3.46Å; K37-F40 PolarHBondContact O-N 2.66Å; K38-F40 VanDerWaalsContact C-N 3.27Å; K38-F40 PolarHBondContact O-N 3.11Å; F40-N43 PolarHBondContact O-N 3.32Å; F40-Q44 WeakPolarHBondContact O-CB 3.29Å; F40-Q44 PolarHBondContact O-N 3.35Å
41F72Confident61.5Low117 Ų117113.1 Ų113.151%0.51356%0.563SS.*Hα-helixtrans-68.2-36.8177.7-71-64.6000112.9K37 K38 Q44 A45K37-F41 HydrophobicContact CD-CE2 4.32Å; K37-F41 HydrophobicContact CG-CD2 4.13Å; K37-F41 HydrophobicContact CG-CE2 3.67Å; K37-F41 WeakPolarHBondContact O-CD2 3.37Å; K37-F41 PolarHBondContact O-N 3Å; K37-F41 VanDerWaalsContact O-N 3.09Å; K38-F41 PolarHBondContact O-N 2.93Å; F41-Q44 PolarHBondContact O-N 3.42Å; F41-A45 WeakPolarHBondContact O-CB 3.33Å; F41-A45 PolarHBondContact O-N 3.49Å
42I66.3Low61.2Low70 Ų70104.7 Ų104.736%0.35954%0.539SS..Hα-helixtrans-61.1-47.7171.9-70167.7000110.1K38 Q44 A45 I46K38-I42 HydrophobicContact CG-CD1 3.85Å; K38-I42 WeakPolarHBondContact O-CB 3.37Å; K38-I42 VanDerWaalsContact O-CG1 3.24Å; K38-I42 WeakPolarHBondContact O-CG1 3.48Å; K38-I42 PolarHBondContact O-N 3.11Å; I42-Q44 PolarHBondContact O-N 3.21Å; I42-A45 PolarHBondContact O-N 3.04Å; I42-I46 HydrophobicContact CG2-CD1 3.6Å; I42-I46 HydrophobicContact CG2-CG1 4.37Å; I42-I46 WeakPolarHBondContact O-CB 3.32Å; I42-I46 WeakPolarHBondContact O-CD1 3.46Å; I42-I46 WeakPolarHBondContact O-CG1 3.35Å; I42-I46 PolarHBondContact O-N 2.89Å
43N63.9Low61.3Low66 Ų66106.9 Ų106.935%0.35356%0.555SS.*Hα-helixtrans-68.8-22.8178-71.2-22.7000113.3Q39 F40 R47Q39-N43 WeakPolarHBondContact O-CB 3.47Å; Q39-N43 PolarHBondContact O-N 2.86Å; Q39-N43 PolarHBondContact O-ND2 3.21Å; Q39-N43 VanDerWaalsContact O-ND2 3.17Å; F40-N43 PolarHBondContact O-N 3.32Å; N43-R47 WeakPolarHBondContact O-CB 3.49Å; N43-R47 WeakPolarHBondContact O-CG 3.46Å; N43-R47 PolarHBondContact O-N 3.33Å; N43-R47 PolarHBondContact O-NE 3.02Å
44Q65Low61.1Low83 Ų83113.6 Ų113.639%0.38857%0.573SS.*Hα-helixtrans-80.6-40174.3-171.4157.827.900111.2F40 F41 I42 R47 N48F40-Q44 WeakPolarHBondContact O-CB 3.29Å; F40-Q44 PolarHBondContact O-N 3.35Å; F41-Q44 PolarHBondContact O-N 3.42Å; I42-Q44 PolarHBondContact O-N 3.21Å; Q44-R47 PolarHBondContact O-N 3.24Å; Q44-N48 PolarHBondContact O-N 2.98Å; Q44-N48 VanDerWaalsContact O-N 3.16Å; Q44-N48 PolarHBondContact O-ND2 3.02Å
45A60Low61.1Low63 Ų63113.4 Ų113.452%0.52158%0.581SS.*Hα-helixtrans-65.6-41.317300000111.8F41 I42 R47 N48 S49F41-A45 WeakPolarHBondContact O-CB 3.33Å; F41-A45 PolarHBondContact O-N 3.49Å; I42-A45 PolarHBondContact O-N 3.04Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 2.62Å; A45-N48 CarbonylContact O-C 3.57Å; A45-N48 PolarHBondContact O-N 2.91Å; A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 2.71Å
46I59.1Low61.2Low83 Ų83112.1 Ų112.143%0.42657%0.567SS.*Hα-helixtrans-63.9-39.3174.4-67.7166.3000111.1I42 N48 S49 T52I42-I46 HydrophobicContact CG2-CD1 3.6Å; I42-I46 HydrophobicContact CG2-CG1 4.37Å; I42-I46 WeakPolarHBondContact O-CB 3.32Å; I42-I46 WeakPolarHBondContact O-CD1 3.46Å; I42-I46 WeakPolarHBondContact O-CG1 3.35Å; I42-I46 PolarHBondContact O-N 2.89Å; I46-N48 PolarHBondContact O-N 3.29Å; I46-S49 PolarHBondContact O-N 3.29Å; I46-S49 PolarHBondContact O-OG 3.32Å; I46-T52 PolarHBondContact O-OG1 3.01Å
47R57.2Low61.7Low183 Ų183107.8 Ų107.869%0.69156%0.562SS**Hα-helixtrans-66.1-25.6177-85.3-175.1-98.2-172.1-7.5113.7N43 Q44 A45N43-R47 WeakPolarHBondContact O-CB 3.49Å; N43-R47 WeakPolarHBondContact O-CG 3.46Å; N43-R47 PolarHBondContact O-N 3.33Å; N43-R47 PolarHBondContact O-NE 3.02Å; Q44-R47 PolarHBondContact O-N 3.24Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-R47 PolarHBondContact O-N 2.62Å
48N54Low62.1Low128 Ų128110 Ų11068%0.68457%0.572SS**THydrogen-bonded Turntrans-104.72.3179.9-69.1-23.7000113.2Q44 A45 I46Q44-N48 PolarHBondContact O-N 2.98Å; Q44-N48 VanDerWaalsContact O-N 3.16Å; Q44-N48 PolarHBondContact O-ND2 3.02Å; A45-N48 CarbonylContact O-C 3.57Å; A45-N48 PolarHBondContact O-N 2.91Å; I46-N48 PolarHBondContact O-N 3.29Å
49S57.4Low62.6Low42 Ų42110.1 Ų110.129%0.29457%0.573SS.*  trans-88.2122.217769.60000110.5A45 I46 L51 T52A45-S49 WeakPolarHBondContact O-CB 3.5Å; A45-S49 PolarHBondContact O-N 2.71Å; I46-S49 PolarHBondContact O-N 3.29Å; I46-S49 PolarHBondContact O-OG 3.32Å; S49-L51 PolarHBondContact O-N 3.4Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-T52 PolarHBondContact OG-OG1 2.99Å; S49-T52 VanDerWaalsContact OG-OG1 3.12Å
50D55.5Low63Low169 Ų169107.2 Ų107.290%0.90456%0.564SS**THydrogen-bonded Turntrans-65-9.3170.8-69.6-41.4000113.2
51L55.1Low63.4Low161 Ų161106.5 Ų106.584%0.84356%0.562SS**THydrogen-bonded Turntrans-86.9-8-174.6-62.5174.8000114.6S49S49-L51 PolarHBondContact O-N 3.4Å; S49-L51 VanDerWaalsContact O-N 3.13Å
52T51.6Low63.9Low72 Ų72109.5 Ų109.544%0.44257%0.569SS.*SBendtrans-113.8106.2171.842.70000110.7I46 S49 R54I46-T52 PolarHBondContact O-OG1 3.01Å; S49-T52 PolarHBondContact OG-OG1 2.99Å; S49-T52 VanDerWaalsContact OG-OG1 3.12Å; T52-R54 PolarHBondContact O-N 3.12Å
53P54.6Low64.9Low123 Ų123114.2 Ų114.280%0.79958%0.583SS**  trans-63.8116.5175.724.3-29.2000108A55P53-A55 PolarHBondContact O-N 3.38Å
54R54.4Low65.8Low188 Ų188114.6 Ų114.671%0.70958%0.583SS**  trans-51.4146.9168.8-55.1-178.474.6-176.40.9107.3T52 K56T52-R54 PolarHBondContact O-N 3.12Å; R54-K56 HydrophobicContact CB-CD 3.94Å; R54-K56 HydrophobicContact CB-CG 4.12Å; R54-K56 WeakPolarHBondContact O-CG 3.38Å; R54-K56 PolarHBondContact O-N 3.46Å
55A59.8Low66.7Low110 Ų110115.2 Ų115.291%0.90959%0.585SS**  trans-63.684.9155.500000107.1P53 G57P53-A55 PolarHBondContact O-N 3.38Å; A55-G57 PolarHBondContact O-N 3.43Å
56K60.9Low68.1Low75 Ų75116.6 Ų116.633%0.32658%0.584SS.*  trans-72.5113.9-179.6-62-79.7177.6171.80105.2R54 S60 Q61R54-K56 HydrophobicContact CB-CD 3.94Å; R54-K56 HydrophobicContact CB-CG 4.12Å; R54-K56 WeakPolarHBondContact O-CG 3.38Å; R54-K56 PolarHBondContact O-N 3.46Å; K56-S60 WeakPolarHBondContact CD-OG 3.25Å; K56-Q61 HydrophobicContact CB-CB 4.33Å
57G72.8Confident69.4Low51 Ų51116.1 Ų116.153%0.52659%0.588SS.*  trans-55.9157.1168.200000110.1A55 K59 S60 Q61A55-G57 PolarHBondContact O-N 3.43Å; G57-K59 CarbonylContact O-C 3.58Å; G57-K59 PolarHBondContact O-N 3.36Å; G57-S60 WeakPolarHBondContact O-CA 3.45Å; G57-S60 PolarHBondContact O-N 3.48Å; G57-Q61 PolarHBondContact O-N 3.05Å
58K75.1Confident70.7Confident169 Ų169114.6 Ų114.674%0.73558%0.582SS**Hα-helixtrans-43.2-38.9-175.4-67.4-177.3178.3179.90113.7R62K58-R62 WeakPolarHBondContact O-CB 3.45Å; K58-R62 VanDerWaalsContact O-CG 3.26Å; K58-R62 WeakPolarHBondContact O-CG 3.48Å; K58-R62 PolarHBondContact O-N 3.32Å
59K78.5Confident72.2Confident151 Ų151115.5 Ų115.566%0.65758%0.577SS**Hα-helixtrans-64.4-42.7176.2-173.8174.4-176.6173.80113.8G57 R63G57-K59 CarbonylContact O-C 3.58Å; G57-K59 PolarHBondContact O-N 3.36Å; K59-R63 WeakPolarHBondContact O-CG 3.48Å; K59-R63 PolarHBondContact O-N 2.87Å; K59-R63 VanDerWaalsContact O-N 3.1Å
60S78.4Confident73.5Confident42 Ų42117.7 Ų117.729%0.29459%0.585SS.*Hα-helixtrans-76.5-29.3179.2-169.90000112.3K56 G57 Q64K56-S60 WeakPolarHBondContact CD-OG 3.25Å; G57-S60 WeakPolarHBondContact O-CA 3.45Å; G57-S60 PolarHBondContact O-N 3.48Å; S60-Q64 PolarHBondContact O-N 2.81Å; S60-Q64 VanDerWaalsContact O-N 3.12Å
61Q79.6Confident74.5Confident91 Ų91111.5 Ų111.543%0.42556%0.558SS.*Hα-helixtrans-65.8-49.2170.7179.5175.97.400110.2K56 G57 R63 Q64 E65K56-Q61 HydrophobicContact CB-CB 4.33Å; G57-Q61 PolarHBondContact O-N 3.05Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 2.99Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.81Å; Q61-E65 HydrophobicContact CG-CG 4.33Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.41Å; Q61-E65 PolarHBondContact NE2-OE1 3.18Å; Q61-E65 WeakPolarHBondContact O-CG 3.34Å; Q61-E65 PolarHBondContact O-N 3.38Å
62R82.8Confident75.6Confident179 Ų179108.1 Ų108.168%0.67554%0.54SS*.Hα-helixtrans-55-39.4173.4-74.9176.4-176.3-172.70.3113K58 N66K58-R62 WeakPolarHBondContact O-CB 3.45Å; K58-R62 VanDerWaalsContact O-CG 3.26Å; K58-R62 WeakPolarHBondContact O-CG 3.48Å; K58-R62 PolarHBondContact O-N 3.32Å; R62-N66 WeakPolarHBondContact O-CB 3.32Å; R62-N66 PolarHBondContact O-N 3.15Å
63R86.4Confident76.7Confident170 Ų170107.9 Ų107.964%0.64254%0.536SS*.Hα-helixtrans-64.5-40.7174.8-75.3178178.9-166.8-3.6112.5K59 Q61 S67K59-R63 WeakPolarHBondContact O-CG 3.48Å; K59-R63 PolarHBondContact O-N 2.87Å; K59-R63 VanDerWaalsContact O-N 3.1Å; Q61-R63 VanDerWaalsContact C-N 3.27Å; Q61-R63 PolarHBondContact O-N 2.99Å; R63-S67 WeakPolarHBondContact O-CB 3.28Å; R63-S67 PolarHBondContact O-N 3.15Å
64Q82.6Confident76.9Confident74 Ų74107.8 Ų107.835%0.34653%0.528SS..Hα-helixtrans-70.8-42.2178.3-174177.926.600111.6S60 Q61 S67 R68S60-Q64 PolarHBondContact O-N 2.81Å; S60-Q64 VanDerWaalsContact O-N 3.12Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.81Å; Q64-S67 PolarHBondContact O-N 2.98Å; Q64-R68 WeakPolarHBondContact O-CB 3.43Å; Q64-R68 WeakPolarHBondContact O-CG 3.45Å; Q64-R68 PolarHBondContact O-N 3.42Å
65E85.3Confident77Confident95 Ų95105.4 Ų105.444%0.44453%0.525SS..Hα-helixtrans-61.5-44.6174-72.2167.1178.700110.8Q61 R68 Y69Q61-E65 HydrophobicContact CG-CG 4.33Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.41Å; Q61-E65 PolarHBondContact NE2-OE1 3.18Å; Q61-E65 WeakPolarHBondContact O-CG 3.34Å; Q61-E65 PolarHBondContact O-N 3.38Å; E65-R68 PolarHBondContact O-N 3.11Å; E65-Y69 VanDerWaalsContact O-CB 3.26Å; E65-Y69 WeakPolarHBondContact O-CB 3.33Å; E65-Y69 PolarHBondContact O-N 2.89Å
66N89.9Confident76.8Confident92 Ų92108.9 Ų108.949%0.49252%0.52SS..Hα-helixtrans-62-44.2174.4-173.8-84.8000111.8R62 R68 Y69 L70R62-N66 WeakPolarHBondContact O-CB 3.32Å; R62-N66 PolarHBondContact O-N 3.15Å; N66-R68 VanDerWaalsContact C-N 3.35Å; N66-R68 PolarHBondContact O-N 2.63Å; N66-Y69 WeakPolarHBondContact O-CB 3.39Å; N66-Y69 PolarHBondContact O-N 2.85Å; N66-L70 WeakPolarHBondContact O-CG 3.28Å; N66-L70 PolarHBondContact O-N 3.33Å; N66-L70 WeakPolarHBondContact OD1-CD1 3.42Å
67S85.8Confident76.2Confident74 Ų74110.9 Ų110.952%0.51753%0.534SS..Hα-helixtrans-61.5-41.3175.9-170.80000112.4R63 Q64 A71R63-S67 WeakPolarHBondContact O-CB 3.28Å; R63-S67 PolarHBondContact O-N 3.15Å; Q64-S67 PolarHBondContact O-N 2.98Å; S67-A71 WeakPolarHBondContact O-CB 3.17Å; S67-A71 PolarHBondContact O-N 3.44Å
68R84.6Confident75Confident150 Ų150114.5 Ų114.557%0.56654%0.537SS*.Hα-helixtrans-68.5-37.7175.6-78.5-177.8172.4137.6-3112.3Q64 E65 N66 A71 N72Q64-R68 WeakPolarHBondContact O-CB 3.43Å; Q64-R68 WeakPolarHBondContact O-CG 3.45Å; Q64-R68 PolarHBondContact O-N 3.42Å; E65-R68 PolarHBondContact O-N 3.11Å; N66-R68 VanDerWaalsContact C-N 3.35Å; N66-R68 PolarHBondContact O-N 2.63Å; R68-A71 PolarHBondContact O-N 3.2Å; R68-N72 WeakPolarHBondContact O-CB 3.47Å; R68-N72 PolarHBondContact O-N 3.02Å; R68-N72 PolarHBondContact O-ND2 2.9Å
69Y84.9Confident73.3Confident147 Ų147111.2 Ų111.258%0.57653%0.534SS*.Hα-helixtrans-63.6-45.7175.4177.6-98.2000111.1E65 N66 N72 L73E65-Y69 VanDerWaalsContact O-CB 3.26Å; E65-Y69 WeakPolarHBondContact O-CB 3.33Å; E65-Y69 PolarHBondContact O-N 2.89Å; N66-Y69 WeakPolarHBondContact O-CB 3.39Å; N66-Y69 PolarHBondContact O-N 2.85Å; Y69-N72 PolarHBondContact O-N 2.75Å; Y69-L73 HydrophobicContact CD1-CD1 3.97Å; Y69-L73 HydrophobicContact CD2-CD1 4.17Å; Y69-L73 HydrophobicContact CE1-CD1 3.53Å; Y69-L73 HydrophobicContact CE1-CD2 4.36Å; Y69-L73 HydrophobicContact CE2-CD1 3.75Å; Y69-L73 HydrophobicContact CG-CD1 4.28Å; Y69-L73 VanDerWaalsContact CZ-CD1 3.4Å; Y69-L73 WeakPolarHBondContact O-CD1 3.5Å; Y69-L73 PolarHBondContact O-N 3.49Å
70L83.8Confident71.6Confident88 Ų88107.6 Ų107.646%0.46153%0.528SS..Hα-helixtrans-63.3-42.9175.4-69.9173.6000112N66 L73 L74N66-L70 WeakPolarHBondContact O-CG 3.28Å; N66-L70 PolarHBondContact O-N 3.33Å; N66-L70 WeakPolarHBondContact OD1-CD1 3.42Å; L70-L73 WeakPolarHBondContact O-CB 3.26Å; L70-L73 PolarHBondContact O-N 3.42Å; L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.97Å
71A77.1Confident69.9Low40 Ų40112.4 Ų112.433%0.33154%0.544SS..Hα-helixtrans-61.1-44175.200000112.1S67 R68 L73 L74 E75S67-A71 WeakPolarHBondContact O-CB 3.17Å; S67-A71 PolarHBondContact O-N 3.44Å; R68-A71 PolarHBondContact O-N 3.2Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.32Å; A71-L74 PolarHBondContact O-N 3.36Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A71-E75 PolarHBondContact O-N 3.49Å
72N77.9Confident68.2Low89 Ų89115.2 Ų115.248%0.47656%0.562SS.*Hα-helixtrans-65.7-30.9174.8-86.8-82.2000113.3R68 Y69 L74 K76R68-N72 WeakPolarHBondContact O-CB 3.47Å; R68-N72 PolarHBondContact O-N 3.02Å; R68-N72 PolarHBondContact O-ND2 2.9Å; Y69-N72 PolarHBondContact O-N 2.75Å; N72-L74 VanDerWaalsContact C-N 3.34Å; N72-K76 PolarHBondContact O-N 3.47Å
73L75.2Confident66.5Low68 Ų68115.2 Ų115.236%0.35657%0.569SS.*Hα-helixtrans-66.6-39172.3-106.879.8000111.3Y69 L70 A71 K76 D77Y69-L73 HydrophobicContact CD1-CD1 3.97Å; Y69-L73 HydrophobicContact CD2-CD1 4.17Å; Y69-L73 HydrophobicContact CE1-CD1 3.53Å; Y69-L73 HydrophobicContact CE1-CD2 4.36Å; Y69-L73 HydrophobicContact CE2-CD1 3.75Å; Y69-L73 HydrophobicContact CG-CD1 4.28Å; Y69-L73 VanDerWaalsContact CZ-CD1 3.4Å; Y69-L73 WeakPolarHBondContact O-CD1 3.5Å; Y69-L73 PolarHBondContact O-N 3.49Å; L70-L73 WeakPolarHBondContact O-CB 3.26Å; L70-L73 PolarHBondContact O-N 3.42Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.32Å; L73-K76 PolarHBondContact O-N 3.44Å; L73-D77 PolarHBondContact O-N 2.97Å
74L58.5Low64.8Low120 Ų120111.1 Ų111.163%0.62857%0.572SS**Hα-helixtrans-72.6-36.5178.5-70.6167.6000112.4L70 A71 N72 K76 D77 E78L70-L74 WeakPolarHBondContact O-CG 3.31Å; L70-L74 PolarHBondContact O-N 2.97Å; A71-L74 PolarHBondContact O-N 3.36Å; A71-L74 VanDerWaalsContact O-N 3.14Å; N72-L74 VanDerWaalsContact C-N 3.34Å; L74-K76 PolarHBondContact O-N 3.25Å; L74-D77 CarbonylContact O-C 3.56Å; L74-D77 VanDerWaalsContact O-C 3.3Å; L74-D77 WeakPolarHBondContact O-CA 3.33Å; L74-D77 WeakPolarHBondContact O-CB 3.41Å; L74-D77 PolarHBondContact O-N 3.49Å; L74-E78 PolarHBondContact O-N 3.44Å
75E57.9Low63.2Low138 Ų138116.4 Ų116.465%0.64560%0.597SS**Hα-helixtrans-66.4-27.9174.4-73.7175.4-163.200112.4A71 D77A71-E75 PolarHBondContact O-N 3.49Å; E75-D77 VanDerWaalsContact C-N 3.28Å
76K54.4Low61.5Low183 Ų183118.1 Ų118.180%0.79661%0.613SS**THydrogen-bonded Turntrans-80.1-11169.9-72.8178.8176.8179.40113.5N72 L73 L74N72-K76 PolarHBondContact O-N 3.47Å; L73-K76 PolarHBondContact O-N 3.44Å; L74-K76 PolarHBondContact O-N 3.25Å
77D48.6Very low59.3Low117 Ų117119.4 Ų119.463%0.62663%0.629SS**THydrogen-bonded Turntrans-10125.1173.3-154.936.1000110.5L73 L74 E75 C79L73-D77 PolarHBondContact O-N 2.97Å; L74-D77 CarbonylContact O-C 3.56Å; L74-D77 VanDerWaalsContact O-C 3.3Å; L74-D77 WeakPolarHBondContact O-CA 3.33Å; L74-D77 WeakPolarHBondContact O-CB 3.41Å; L74-D77 PolarHBondContact O-N 3.49Å; E75-D77 VanDerWaalsContact C-N 3.28Å; D77-C79 PolarHBondContact O-N 3.36Å
78E47.1Very low57.7Low127 Ų127121.6 Ų121.659%0.59364%0.644SS**  trans-62.678.7146.4-78.4-145.3167.700107.1L74 S80 K81L74-E78 PolarHBondContact O-N 3.44Å; E78-S80 PolarHBondContact O-N 2.98Å; E78-K81 IonicContact OE1-NZ 3.6Å; E78-K81 PolarHBondContact OE1-NZ 3.46Å; E78-K81 IonicContact OE2-NZ 3.64Å; E78-K81 PolarHBondContact OE2-NZ 2.99Å
79C40Very low56.2Low100 Ų100120.6 Ų120.668%0.67665%0.649SS**  trans-33.7121.9150.1-169.60000107.6D77 K81D77-C79 PolarHBondContact O-N 3.36Å; C79-K81 PolarHBondContact O-N 3.48Å
80S42Very low55Low76 Ų76118.9 Ų118.953%0.53166%0.656SS.*  trans-24.5108.7173.147.90000112E78 D82E78-S80 PolarHBondContact O-N 2.98Å; S80-D82 PolarHBondContact O-N 3.01Å
81K43.4Very low54.2Low142 Ų142119.3 Ų119.362%0.61767%0.673SS**G310 helixtrans-62.40174.4-99.7174.7-177.9137.50113.9E78 C79 E83E78-K81 IonicContact OE1-NZ 3.6Å; E78-K81 PolarHBondContact OE1-NZ 3.46Å; E78-K81 IonicContact OE2-NZ 3.64Å; E78-K81 PolarHBondContact OE2-NZ 2.99Å; C79-K81 PolarHBondContact O-N 3.48Å; K81-E83 VanDerWaalsContact C-N 3.3Å; K81-E83 PolarHBondContact O-N 3.27Å
82D44.7Very low53.7Low150 Ų150125 Ų12580%0.80270%0.697SS**G310 helixtrans-80.2-5-178.4-66.3-24.7000114S80S80-D82 PolarHBondContact O-N 3.01Å
83E47.4Very low53.4Low179 Ų179124.3 Ų124.384%0.83670%0.697SS**G310 helixtrans-107.626.1178.1-68.9-69.6167.500112.9K81K81-E83 VanDerWaalsContact C-N 3.3Å; K81-E83 PolarHBondContact O-N 3.27Å
84A49.4Very low53.7Low85 Ų85124 Ų12470%0.70270%0.701SS**SBendtrans-1183.9-179.800000114.5
85E48.4Very low54.8Low185 Ų185124.9 Ų124.986%0.86471%0.705SS**SBendtrans-123.229.2-175.8-153.7166.3-168.800114.3
86V50.3Low55.9Low130 Ų130126.2 Ų126.279%0.78871%0.709SS**  trans-141.171.6159.9-171.90000109.2
87C44.4Very low57.3Low120 Ų120120.9 Ų120.981%0.81169%0.692SS**  trans-118.760165.2-136.50000109.2
88S52.1Low59Low119 Ų119119.7 Ų119.783%0.83268%0.682SS**  trans-96.60.9159.7-61.80000112.1
89D53.1Low60.6Low129 Ų129116 Ų11669%0.6967%0.673SS**SBendtrans-81.6129.9172.5-94.6-28.6000110.2A91D89-A91 PolarHBondContact O-N 2.84Å
90P60.3Low62.4Low111 Ų111115.9 Ų115.972%0.72167%0.673SS**  trans-56.3130169.424.7-30.9000107.8L92P90-L92 PolarHBondContact O-N 2.77Å; P90-L92 VanDerWaalsContact O-N 3.11Å
91A66.1Low64.4Low98 Ų98117 Ų11781%0.8168%0.676SS**  trans-44.9123.3-179.500000109.9D89D89-A91 PolarHBondContact O-N 2.84Å
92L65.7Low66.3Low160 Ų160112.5 Ų112.584%0.83866%0.659SS**PPolyproline II helixtrans-49.2133175.4-67.9171.2000108.3P90 S94P90-L92 PolarHBondContact O-N 2.77Å; P90-L92 VanDerWaalsContact O-N 3.11Å; L92-S94 PolarHBondContact O-N 3.02Å
93P73.4Confident68.1Low74 Ų74107.4 Ų107.448%0.48164%0.642SS.*PPolyproline II helixtrans-55.5133.8-178.222.5-31.8000108.9T97P93-T97 HydrophobicContact CB-CG2 3.85Å
94S81.6Confident69.8Low62 Ų62103.1 Ų103.143%0.43463%0.625SS.*PPolyproline II helixtrans-53.9150.9173.1174.30000109.4L92 F96 T97 E98L92-S94 PolarHBondContact O-N 3.02Å; S94-F96 CarbonylContact O-C 3.3Å; S94-F96 PolarHBondContact O-N 2.9Å; S94-F96 PolarHBondContact OG-N 3.11Å; S94-T97 CarbonylContact O-C 3.57Å; S94-T97 WeakPolarHBondContact O-CA 3.49Å; S94-T97 VanDerWaalsContact O-CB 3.31Å; S94-T97 WeakPolarHBondContact O-CB 3.38Å; S94-T97 PolarHBondContact O-N 3.47Å; S94-E98 PolarHBondContact O-N 3.3Å
95I80.8Confident71.4Confident138 Ų138105.1 Ų105.171%0.70862%0.615SS**Hα-helixtrans-49.9-36.3175.2-59.8171.3000110.7A99I95-A99 VanDerWaalsContact O-CB 3.26Å; I95-A99 WeakPolarHBondContact O-CB 3.23Å; I95-A99 PolarHBondContact O-N 3.49Å
96F81.2Confident73.2Confident165 Ų16599.4 Ų99.472%0.72459%0.592SS**Hα-helixtrans-68.8-40.5174.7-63.9-74.9000113S94 A99 C100S94-F96 CarbonylContact O-C 3.3Å; S94-F96 PolarHBondContact O-N 2.9Å; S94-F96 PolarHBondContact OG-N 3.11Å; F96-A99 PolarHBondContact O-N 3.37Å; F96-C100 PolarHBondContact O-N 2.88Å; F96-C100 VanDerWaalsContact O-N 3.11Å; F96-C100 PolarHBondContact O-SG 3.31Å
97T84.1Confident74.9Confident72 Ų7299.6 Ų99.644%0.44259%0.585SS.*Hα-helixtrans-64.1-45.5175.6-54.20000110.4P93 S94 C100 T101P93-T97 HydrophobicContact CB-CG2 3.85Å; S94-T97 CarbonylContact O-C 3.57Å; S94-T97 WeakPolarHBondContact O-CA 3.49Å; S94-T97 VanDerWaalsContact O-CB 3.31Å; S94-T97 WeakPolarHBondContact O-CB 3.38Å; S94-T97 PolarHBondContact O-N 3.47Å; T97-C100 PolarHBondContact O-N 3.22Å; T97-T101 HydrophobicContact CG2-CG2 4.38Å; T97-T101 WeakPolarHBondContact O-CB 3.48Å; T97-T101 WeakPolarHBondContact O-CG2 3.29Å; T97-T101 PolarHBondContact O-N 3.24Å; T97-T101 PolarHBondContact O-OG1 3.41Å
98E83.9Confident76.8Confident91 Ų9199.6 Ų99.643%0.42557%0.573SS.*Hα-helixtrans-61.9-46.5176-172.5178.5178.600111.1S94 C100 T101 N102S94-E98 PolarHBondContact O-N 3.3Å; E98-C100 PolarHBondContact O-N 3Å; E98-T101 PolarHBondContact O-N 3.2Å; E98-T101 VanDerWaalsContact O-N 3.15Å; E98-N102 WeakPolarHBondContact O-CB 3.26Å; E98-N102 PolarHBondContact O-N 2.74Å
99A80.2Confident78.5Confident49 Ų49101.7 Ų101.741%0.40556%0.563SS.*Hα-helixtrans-58-35.8177.800000113.1I95 F96I95-A99 VanDerWaalsContact O-CB 3.26Å; I95-A99 WeakPolarHBondContact O-CB 3.23Å; I95-A99 PolarHBondContact O-N 3.49Å; F96-A99 PolarHBondContact O-N 3.37Å
100C78.8Confident80.2Confident99 Ų9999.9 Ų99.967%0.66955%0.553SS**Hα-helixtrans-87.6-13.5-179.8-64.90000114.6F96 T97 E98 V106F96-C100 PolarHBondContact O-N 2.88Å; F96-C100 VanDerWaalsContact O-N 3.11Å; F96-C100 PolarHBondContact O-SG 3.31Å; T97-C100 PolarHBondContact O-N 3.22Å; E98-C100 PolarHBondContact O-N 3Å; C100-V106 WeakPolarHBondContact O-CG2 3.32Å
101T82.3Confident81.6Confident98 Ų9899.4 Ų99.460%0.60154%0.544SS*.Hα-helixtrans-117-16.6-175.156.50000113.6T97 E98 G103T97-T101 HydrophobicContact CG2-CG2 4.38Å; T97-T101 WeakPolarHBondContact O-CB 3.48Å; T97-T101 WeakPolarHBondContact O-CG2 3.29Å; T97-T101 PolarHBondContact O-N 3.24Å; T97-T101 PolarHBondContact O-OG1 3.41Å; E98-T101 PolarHBondContact O-N 3.2Å; E98-T101 VanDerWaalsContact O-N 3.15Å; T101-G103 PolarHBondContact O-N 3.32Å; T101-G103 VanDerWaalsContact O-N 3.16Å
102N84.1Confident82.8Confident49 Ų4996.9 Ų96.926%0.26252%0.515SS..  trans-67114.2176.5-173.5-45000109.4E98 N104 Y105 V106E98-N102 WeakPolarHBondContact O-CB 3.26Å; E98-N102 PolarHBondContact O-N 2.74Å; N102-N104 PolarHBondContact O-N 3.03Å; N102-N104 VanDerWaalsContact O-N 3.14Å; N102-N104 VanDerWaalsContact OD1-CB 3.31Å; N102-N104 WeakPolarHBondContact OD1-CB 3.35Å; N102-N104 PolarHBondContact OD1-N 3.03Å; N102-Y105 HydrophobicContact CB-CD2 3.54Å; N102-Y105 HydrophobicContact CB-CE2 4.08Å; N102-Y105 HydrophobicContact CB-CG 4.27Å; N102-Y105 PolarHBondContact O-N 3.38Å; N102-Y105 VanDerWaalsContact O-N 3.11Å; N102-V106 WeakPolarHBondContact O-CG2 3.45Å; N102-V106 PolarHBondContact O-N 2.94Å
103G82.6Confident84Confident42 Ų4293.7 Ų93.743%0.43350%0.497SS..Hα-helixtrans-55.3-34.1-176.500000113.4T101 V106 E107T101-G103 PolarHBondContact O-N 3.32Å; T101-G103 VanDerWaalsContact O-N 3.16Å; G103-V106 PolarHBondContact O-N 2.87Å; G103-E107 WeakPolarHBondContact O-CB 3.15Å; G103-E107 VanDerWaalsContact O-CG 3.27Å; G103-E107 WeakPolarHBondContact O-CG 3.39Å; G103-E107 PolarHBondContact O-N 3.39Å
104N83.7Confident85Confident90 Ų9096 Ų9648%0.48151%0.505SS..Hα-helixtrans-67.6-43.9179.7-165.9-26.9000111.7N102 Q108N102-N104 PolarHBondContact O-N 3.03Å; N102-N104 VanDerWaalsContact O-N 3.14Å; N102-N104 VanDerWaalsContact OD1-CB 3.31Å; N102-N104 WeakPolarHBondContact OD1-CB 3.35Å; N102-N104 PolarHBondContact OD1-N 3.03Å; N104-Q108 WeakPolarHBondContact O-CG 3.37Å; N104-Q108 PolarHBondContact O-N 3.12Å; N104-Q108 PolarHBondContact OD1-NE2 3.34Å
105Y82.8Confident85.5Confident126 Ų12698.6 Ų98.649%0.49451%0.506SS..Hα-helixtrans-68.5-41.4176-59.9-37.7000111.6N102 E107 Q108 W109N102-Y105 HydrophobicContact CB-CD2 3.54Å; N102-Y105 HydrophobicContact CB-CE2 4.08Å; N102-Y105 HydrophobicContact CB-CG 4.27Å; N102-Y105 PolarHBondContact O-N 3.38Å; N102-Y105 VanDerWaalsContact O-N 3.11Å; Y105-E107 PolarHBondContact O-N 2.88Å; Y105-Q108 PolarHBondContact O-N 3.43Å; Y105-W109 WeakPolarHBondContact O-CB 3.32Å; Y105-W109 PolarHBondContact O-N 3.49Å
106V85.9Confident86Confident65 Ų6594.9 Ų94.939%0.39449%0.492SS..Hα-helixtrans-63.8-41-179.6173.40000111.7C100 N102 G103 W109 N110C100-V106 WeakPolarHBondContact O-CG2 3.32Å; N102-V106 WeakPolarHBondContact O-CG2 3.45Å; N102-V106 PolarHBondContact O-N 2.94Å; G103-V106 PolarHBondContact O-N 2.87Å; V106-W109 PolarHBondContact O-N 2.97Å; V106-N110 VanDerWaalsContact O-CB 3.29Å; V106-N110 WeakPolarHBondContact O-CB 3.1Å; V106-N110 PolarHBondContact O-N 3.31Å
107E86.9Confident86.5Confident134 Ų13489.5 Ų89.563%0.62648%0.483SS*.Hα-helixtrans-62-49.8176.1-77.8174.1-172.900111.7G103 Y105 W109 N110 D111G103-E107 WeakPolarHBondContact O-CB 3.15Å; G103-E107 VanDerWaalsContact O-CG 3.27Å; G103-E107 WeakPolarHBondContact O-CG 3.39Å; G103-E107 PolarHBondContact O-N 3.39Å; Y105-E107 PolarHBondContact O-N 2.88Å; E107-W109 VanDerWaalsContact C-N 3.26Å; E107-W109 PolarHBondContact O-N 2.66Å; E107-N110 PolarHBondContact O-N 3.25Å; E107-D111 WeakPolarHBondContact O-CB 3.15Å; E107-D111 PolarHBondContact O-N 2.72Å
108Q84.2Confident86.8Confident120 Ų12092.6 Ų92.656%0.56149%0.493SS*.Hα-helixtrans-60.6-37.8176.8-67.1177.737.700112.2N104 Y105 F112N104-Q108 WeakPolarHBondContact O-CG 3.37Å; N104-Q108 PolarHBondContact O-N 3.12Å; N104-Q108 PolarHBondContact OD1-NE2 3.34Å; Y105-Q108 PolarHBondContact O-N 3.43Å; Q108-F112 WeakPolarHBondContact O-CB 3.21Å; Q108-F112 PolarHBondContact O-N 3.26Å
109W87.2Confident87.1Confident164 Ų16492.7 Ų92.762%0.62149%0.493SS*.Hα-helixtrans-68.6-41.2178-142.699.5000111.8Y105 V106 E107 F112 M113Y105-W109 WeakPolarHBondContact O-CB 3.32Å; Y105-W109 PolarHBondContact O-N 3.49Å; V106-W109 PolarHBondContact O-N 2.97Å; E107-W109 VanDerWaalsContact C-N 3.26Å; E107-W109 PolarHBondContact O-N 2.66Å; W109-F112 WeakPolarHBondContact O-CB 3.39Å; W109-F112 PolarHBondContact O-N 3.46Å; W109-M113 HydrophobicContact CD2-CG 4.24Å; W109-M113 HydrophobicContact CE3-CB 4.44Å; W109-M113 HydrophobicContact CE3-CG 3.19Å; W109-M113 HydrophobicContact CE3-SD 4.03Å; W109-M113 HydrophobicContact CH2-CE 3.97Å; W109-M113 HydrophobicContact CH2-CG 3.71Å; W109-M113 HydrophobicContact CH2-SD 3.32Å; W109-M113 WeakPolarHBondContact CH2-SD 3.31Å; W109-M113 HydrophobicContact CZ2-SD 4.29Å; W109-M113 HydrophobicContact CZ3-CB 4.34Å; W109-M113 HydrophobicContact CZ3-CE 3.78Å; W109-M113 HydrophobicContact CZ3-CG 2.92Å; W109-M113 HydrophobicContact CZ3-SD 3.23Å; W109-M113 WeakPolarHBondContact CZ3-SD 3.43Å; W109-M113 WeakPolarHBondContact O-CG 3.4Å; W109-M113 PolarHBondContact O-N 3.18Å
110N89.4Confident87.7Confident90 Ų9092.5 Ų92.548%0.48148%0.484SS..Hα-helixtrans-66.2-43.7177.4-160.812.8000110.9V106 E107 F112 M113 N114V106-N110 VanDerWaalsContact O-CB 3.29Å; V106-N110 WeakPolarHBondContact O-CB 3.1Å; V106-N110 PolarHBondContact O-N 3.31Å; E107-N110 PolarHBondContact O-N 3.25Å; N110-F112 VanDerWaalsContact C-N 3.25Å; N110-F112 PolarHBondContact O-N 3.2Å; N110-M113 PolarHBondContact O-N 3.3Å; N110-N114 WeakPolarHBondContact O-CB 3.1Å; N110-N114 VanDerWaalsContact O-CG 3.29Å; N110-N114 PolarHBondContact O-N 3.2Å; N110-N114 PolarHBondContact O-ND2 3.33Å; N110-N114 PolarHBondContact OD1-ND2 2.78Å
111D89.9Confident88.2Confident102 Ų10294.6 Ų94.655%0.54548%0.483SS..Hα-helixtrans-60.5-34.3174.1-80.3-0.8000112.6E107 R115E107-D111 WeakPolarHBondContact O-CB 3.15Å; E107-D111 PolarHBondContact O-N 2.72Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-NE 2.8Å
112F91.3Very high88.7Confident44 Ų4496.1 Ų96.119%0.19348%0.482CS..Hα-helixtrans-69.3-46.4173.9178.5-104.6000112Q108 W109 N110 N114 R115 Q120 L123 L124Q108-F112 WeakPolarHBondContact O-CB 3.21Å; Q108-F112 PolarHBondContact O-N 3.26Å; W109-F112 WeakPolarHBondContact O-CB 3.39Å; W109-F112 PolarHBondContact O-N 3.46Å; N110-F112 VanDerWaalsContact C-N 3.25Å; N110-F112 PolarHBondContact O-N 3.2Å; F112-N114 VanDerWaalsContact C-N 3.29Å; F112-N114 PolarHBondContact O-N 3.44Å; F112-R115 WeakPolarHBondContact O-CB 3.45Å; F112-R115 PolarHBondContact O-N 2.98Å; F112-Q120 HydrophobicContact CD2-CG 4.12Å; F112-Q120 HydrophobicContact CE1-CB 4.49Å; F112-Q120 HydrophobicContact CE1-CG 4.14Å; F112-Q120 HydrophobicContact CE2-CB 3.68Å; F112-Q120 HydrophobicContact CE2-CG 3.67Å; F112-Q120 HydrophobicContact CZ-CB 3.64Å; F112-Q120 HydrophobicContact CZ-CG 3.68Å; F112-Q120 PolarHBondContact O-NE2 3.05Å; F112-L123 HydrophobicContact CD2-CD2 3.72Å; F112-L123 HydrophobicContact CE2-CD2 4.12Å; F112-L124 HydrophobicContact CE2-CG 4.28Å; F112-L124 HydrophobicContact CZ-CD1 4.17Å; F112-L124 HydrophobicContact CZ-CD2 4.37Å; F112-L124 HydrophobicContact CZ-CG 4.15Å
113M90.9Very high89.1Confident94 Ų9496.7 Ų96.746%0.46349%0.485SS..Hα-helixtrans-67-29.4-178.2-72.7-59.7-76.800114.4W109 N110 R115W109-M113 HydrophobicContact CD2-CG 4.24Å; W109-M113 HydrophobicContact CE3-CB 4.44Å; W109-M113 HydrophobicContact CE3-CG 3.19Å; W109-M113 HydrophobicContact CE3-SD 4.03Å; W109-M113 HydrophobicContact CH2-CE 3.97Å; W109-M113 HydrophobicContact CH2-CG 3.71Å; W109-M113 HydrophobicContact CH2-SD 3.32Å; W109-M113 WeakPolarHBondContact CH2-SD 3.31Å; W109-M113 HydrophobicContact CZ2-SD 4.29Å; W109-M113 HydrophobicContact CZ3-CB 4.34Å; W109-M113 HydrophobicContact CZ3-CE 3.78Å; W109-M113 HydrophobicContact CZ3-CG 2.92Å; W109-M113 HydrophobicContact CZ3-SD 3.23Å; W109-M113 WeakPolarHBondContact CZ3-SD 3.43Å; W109-M113 WeakPolarHBondContact O-CG 3.4Å; W109-M113 PolarHBondContact O-N 3.18Å; N110-M113 PolarHBondContact O-N 3.3Å; M113-R115 PolarHBondContact O-N 3.27Å
114N93.4Very high89.6Confident122 Ų12299.3 Ų99.365%0.65249%0.488SS*.THydrogen-bonded Turntrans-80.4-1.3179-67.3-41.8000113.2N110 F112N110-N114 WeakPolarHBondContact O-CB 3.1Å; N110-N114 VanDerWaalsContact O-CG 3.29Å; N110-N114 PolarHBondContact O-N 3.2Å; N110-N114 PolarHBondContact O-ND2 3.33Å; N110-N114 PolarHBondContact OD1-ND2 2.78Å; F112-N114 VanDerWaalsContact C-N 3.29Å; F112-N114 PolarHBondContact O-N 3.44Å
115R91.4Very high90Very high117 Ų11797.5 Ų97.544%0.44249%0.485SS..SBendtrans-81.9158.2173.5-70.5166.8-169.1-84.9-0.3111.7D111 F112 M113 E119 Q120D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-NE 2.8Å; F112-R115 WeakPolarHBondContact O-CB 3.45Å; F112-R115 PolarHBondContact O-N 2.98Å; M113-R115 PolarHBondContact O-N 3.27Å; R115-E119 HydrophobicContact CB-CB 4.09Å; R115-Q120 HydrophobicContact CB-CG 4.07Å
116S92.9Very high90.4Very high59 Ų5996.7 Ų96.741%0.41349%0.489SS..  trans-67.1153.8170.363.60000111.2E118 E119 Q120S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.36Å; S116-E119 PolarHBondContact N-OE2 3.09Å; S116-E119 WeakPolarHBondContact O-CB 3.3Å; S116-E119 PolarHBondContact O-N 3.44Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-OE2 3.01Å; S116-Q120 PolarHBondContact O-N 3.25Å
117G90.4Very high90.5Very high52 Ų5297.9 Ų97.954%0.53649%0.493SS..Hα-helixtrans-57.3-37.2-178.700000113.7E119 Q120 E121G117-E119 VanDerWaalsContact C-N 3.34Å; G117-E119 PolarHBondContact O-N 2.82Å; G117-Q120 PolarHBondContact O-N 2.81Å; G117-E121 PolarHBondContact O-N 3Å
118E90.6Very high90.6Very high138 Ų13896.7 Ų96.765%0.64549%0.487SS*.Hα-helixtrans-66-34.4175.7-64.1-175.2-173.900112.8S116 K122S116-E118 VanDerWaalsContact C-N 3.26Å; S116-E118 PolarHBondContact O-N 3.36Å; E118-K122 WeakPolarHBondContact O-CD 3.43Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.37Å; E118-K122 PolarHBondContact O-N 2.88Å; E118-K122 VanDerWaalsContact O-N 3.15Å
119E90.3Very high90.7Very high93 Ų9395.2 Ų95.244%0.43548%0.48SS..Hα-helixtrans-74.8-35.5176.7-72.2169.8144.100111.8R115 S116 G117 K122 L123R115-E119 HydrophobicContact CB-CB 4.09Å; S116-E119 PolarHBondContact N-OE2 3.09Å; S116-E119 WeakPolarHBondContact O-CB 3.3Å; S116-E119 PolarHBondContact O-N 3.44Å; S116-E119 WeakPolarHBondContact OG-CG 3.41Å; S116-E119 PolarHBondContact OG-OE2 3.01Å; G117-E119 VanDerWaalsContact C-N 3.34Å; G117-E119 PolarHBondContact O-N 2.82Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-L123 WeakPolarHBondContact O-CB 3.38Å; E119-L123 PolarHBondContact O-N 3.46Å
120Q93.2Very high90.6Very high45 Ų4593.2 Ų93.221%0.2148%0.478CS..Hα-helixtrans-60.9-47172.6-71.1-177.9-12.500110.8F112 R115 S116 G117 K122 L123 L124F112-Q120 HydrophobicContact CD2-CG 4.12Å; F112-Q120 HydrophobicContact CE1-CB 4.49Å; F112-Q120 HydrophobicContact CE1-CG 4.14Å; F112-Q120 HydrophobicContact CE2-CB 3.68Å; F112-Q120 HydrophobicContact CE2-CG 3.67Å; F112-Q120 HydrophobicContact CZ-CB 3.64Å; F112-Q120 HydrophobicContact CZ-CG 3.68Å; F112-Q120 PolarHBondContact O-NE2 3.05Å; R115-Q120 HydrophobicContact CB-CG 4.07Å; S116-Q120 PolarHBondContact O-N 3.25Å; G117-Q120 PolarHBondContact O-N 2.81Å; Q120-K122 PolarHBondContact O-N 3.38Å; Q120-L123 PolarHBondContact O-N 3.25Å; Q120-L124 WeakPolarHBondContact O-CG 3.27Å; Q120-L124 PolarHBondContact O-N 2.98Å
121E89.8Confident90.2Very high142 Ų14291 Ų9166%0.66447%0.472SS*.Hα-helixtrans-62.2-43.8178.6-171.3175.1-170.400111.9G117 L123 L124 A125G117-E121 PolarHBondContact O-N 3Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 2.93Å; E121-L124 PolarHBondContact O-N 2.79Å; E121-A125 WeakPolarHBondContact O-CB 3.42Å; E121-A125 PolarHBondContact O-N 3.02Å
122K92.9Very high89.8Confident131 Ų13190.8 Ų90.857%0.5747%0.466SS*.Hα-helixtrans-60.3-42.7174.6-74.4168-173.6162.80112.2E118 E119 Q120 A125 L126E118-K122 WeakPolarHBondContact O-CD 3.43Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.37Å; E118-K122 PolarHBondContact O-N 2.88Å; E118-K122 VanDerWaalsContact O-N 3.15Å; E119-K122 PolarHBondContact O-N 2.91Å; Q120-K122 PolarHBondContact O-N 3.38Å; K122-A125 PolarHBondContact O-N 3.05Å; K122-L126 WeakPolarHBondContact O-CG 3.37Å; K122-L126 PolarHBondContact O-N 3.24Å
123L91.3Very high89Confident61 Ų6195.5 Ų95.532%0.31948%0.483SS..Hα-helixtrans-66.8-44179.3-174.368.7000111.6F112 E119 Q120 E121 A125 L126 L127F112-L123 HydrophobicContact CD2-CD2 3.72Å; F112-L123 HydrophobicContact CE2-CD2 4.12Å; E119-L123 WeakPolarHBondContact O-CB 3.38Å; E119-L123 PolarHBondContact O-N 3.46Å; Q120-L123 PolarHBondContact O-N 3.25Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 2.93Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CG 3.49Å; L123-L127 PolarHBondContact O-N 3.06Å
124L92.9Very high87.5Confident97 Ų9793.4 Ų93.451%0.50848%0.477SS..Hα-helixtrans-60.8-43.3176.6-72.6174.1000111.4F112 Q120 E121 L126 L127 E128F112-L124 HydrophobicContact CE2-CG 4.28Å; F112-L124 HydrophobicContact CZ-CD1 4.17Å; F112-L124 HydrophobicContact CZ-CD2 4.37Å; F112-L124 HydrophobicContact CZ-CG 4.15Å; Q120-L124 WeakPolarHBondContact O-CG 3.27Å; Q120-L124 PolarHBondContact O-N 2.98Å; E121-L124 PolarHBondContact O-N 2.79Å; L124-L126 PolarHBondContact O-N 3.15Å; L124-L127 PolarHBondContact O-N 2.76Å; L124-E128 WeakPolarHBondContact O-CB 3.26Å; L124-E128 PolarHBondContact O-N 3.22Å
125A91.9Very high85.7Confident51 Ų5192 Ų9242%0.42147%0.47SS..Hα-helixtrans-61.8-41.5176.200000112.2E121 K122 L123 E128 E129E121-A125 WeakPolarHBondContact O-CB 3.42Å; E121-A125 PolarHBondContact O-N 3.02Å; K122-A125 PolarHBondContact O-N 3.05Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.39Å; A125-E128 PolarHBondContact O-N 3.23Å; A125-E129 WeakPolarHBondContact O-CG 3.47Å; A125-E129 PolarHBondContact O-N 3.46Å
126L90.8Very high84Confident110 Ų11090.5 Ų90.558%0.57648%0.477SS*.Hα-helixtrans-63.2-45175.8-73.6173.8000112.3K122 L123 L124 E128 E129 E130K122-L126 WeakPolarHBondContact O-CG 3.37Å; K122-L126 PolarHBondContact O-N 3.24Å; L123-L126 PolarHBondContact O-N 3.49Å; L124-L126 PolarHBondContact O-N 3.15Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 3.05Å; L126-E129 PolarHBondContact O-N 2.75Å; L126-E130 WeakPolarHBondContact O-CB 3.36Å; L126-E130 PolarHBondContact O-N 2.86Å
127L88.8Confident82Confident90 Ų9094 Ų9447%0.47149%0.492SS..Hα-helixtrans-64.6-36.8177.2-71.5172.6000111.9L123 L124 E130 A131L123-L127 HydrophobicContact CG-CD1 4.23Å; L123-L127 WeakPolarHBondContact O-CG 3.49Å; L123-L127 PolarHBondContact O-N 3.06Å; L124-L127 PolarHBondContact O-N 2.76Å; L127-E130 PolarHBondContact O-N 3.41Å; L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.38Å; L127-A131 PolarHBondContact O-N 2.91Å
128E89Confident79.9Confident108 Ų10898.2 Ų98.251%0.50550%0.495SS..Hα-helixtrans-66.2-43.9175.8-164.9-169.6150.700111.5L124 A125 L126 E130 A131 K132L124-E128 WeakPolarHBondContact O-CB 3.26Å; L124-E128 PolarHBondContact O-N 3.22Å; A125-E128 PolarHBondContact O-N 3.23Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 3.05Å; E128-E130 VanDerWaalsContact C-N 3.33Å; E128-E130 PolarHBondContact O-N 2.84Å; E128-A131 PolarHBondContact O-N 3.4Å; E128-K132 VanDerWaalsContact O-CG 3.29Å; E128-K132 WeakPolarHBondContact O-CG 3.1Å; E128-K132 PolarHBondContact O-N 3.08Å; E128-K132 WeakPolarHBondContact OE1-CE 3.36Å; E128-K132 IonicContact OE1-NZ 2.66Å; E128-K132 PolarHBondContact OE1-NZ 3.33Å
129E87.5Confident77.7Confident90 Ų9097.8 Ų97.842%0.42150%0.496SS..Hα-helixtrans-66.1-34.8175.3-72.5-58.1124.300112.4A125 L126 K132 R133A125-E129 WeakPolarHBondContact O-CG 3.47Å; A125-E129 PolarHBondContact O-N 3.46Å; L126-E129 PolarHBondContact O-N 2.75Å; E129-K132 IonicContact OE1-NZ 2.75Å; E129-K132 PolarHBondContact OE1-NZ 2.84Å; E129-R133 WeakPolarHBondContact O-CB 3.17Å; E129-R133 VanDerWaalsContact O-CG 3.28Å; E129-R133 WeakPolarHBondContact O-CG 3.29Å; E129-R133 PolarHBondContact O-N 3.17Å; E129-R133 VanDerWaalsContact O-N 3.09Å; E129-R133 PolarHBondContact O-NE 3.27Å
130E84.8Confident75.5Confident122 Ų12298.6 Ų98.657%0.5751%0.51SS*.Hα-helixtrans-68.5-41.4171.1-174.5170.1-164.200111.7L126 L127 E128 K132 R133 S134L126-E130 WeakPolarHBondContact O-CB 3.36Å; L126-E130 PolarHBondContact O-N 2.86Å; L127-E130 PolarHBondContact O-N 3.41Å; E128-E130 VanDerWaalsContact C-N 3.33Å; E128-E130 PolarHBondContact O-N 2.84Å; E130-K132 PolarHBondContact O-N 3.49Å; E130-R133 CarbonylContact O-C 3.54Å; E130-R133 PolarHBondContact O-N 2.93Å; E130-S134 WeakPolarHBondContact O-CB 3.42Å; E130-S134 PolarHBondContact O-N 3.18Å
131A81Confident73Confident43 Ų43105 Ų10536%0.35554%0.537SS..Hα-helixtrans-62.3-42176.500000111.5L127 E128 S134 N135L127-A131 VanDerWaalsContact O-CB 3.3Å; L127-A131 WeakPolarHBondContact O-CB 3.38Å; L127-A131 PolarHBondContact O-N 2.91Å; E128-A131 PolarHBondContact O-N 3.4Å; A131-S134 PolarHBondContact O-N 2.89Å; A131-S134 PolarHBondContact O-OG 3.21Å; A131-N135 VanDerWaalsContact O-CB 3.31Å; A131-N135 WeakPolarHBondContact O-CB 3.19Å; A131-N135 PolarHBondContact O-N 3.38Å; A131-N135 PolarHBondContact O-ND2 3.13Å
132K79.8Confident70.6Confident98 Ų98104.2 Ų104.243%0.42654%0.537SS..Hα-helixtrans-62.8-40.9173.6-70.7168.4-172.9161.40112.3E128 E129 E130 N135 S136E128-K132 VanDerWaalsContact O-CG 3.29Å; E128-K132 WeakPolarHBondContact O-CG 3.1Å; E128-K132 PolarHBondContact O-N 3.08Å; E128-K132 WeakPolarHBondContact OE1-CE 3.36Å; E128-K132 IonicContact OE1-NZ 2.66Å; E128-K132 PolarHBondContact OE1-NZ 3.33Å; E129-K132 IonicContact OE1-NZ 2.75Å; E129-K132 PolarHBondContact OE1-NZ 2.84Å; E130-K132 PolarHBondContact O-N 3.49Å; K132-N135 PolarHBondContact O-N 2.95Å; K132-S136 PolarHBondContact O-N 2.94Å; K132-S136 PolarHBondContact O-OG 3.34Å
133R74.5Confident68.3Low143 Ų143103.2 Ų103.254%0.5454%0.535SS..Hα-helixtrans-68.5-36.1174.3-75.9179.9-82.2-175.2-2.8112.9E129 E130 S136 N137E129-R133 WeakPolarHBondContact O-CB 3.17Å; E129-R133 VanDerWaalsContact O-CG 3.28Å; E129-R133 WeakPolarHBondContact O-CG 3.29Å; E129-R133 PolarHBondContact O-N 3.17Å; E129-R133 VanDerWaalsContact O-N 3.09Å; E129-R133 PolarHBondContact O-NE 3.27Å; E130-R133 CarbonylContact O-C 3.54Å; E130-R133 PolarHBondContact O-N 2.93Å; R133-S136 WeakPolarHBondContact CA-OG 3.35Å; R133-S136 PolarHBondContact O-OG 2.85Å; R133-N137 WeakPolarHBondContact O-CB 3.42Å; R133-N137 PolarHBondContact O-N 2.56Å; R133-N137 VanDerWaalsContact O-N 3.15Å; R133-N137 PolarHBondContact O-ND2 2.89Å; R133-N137 VanDerWaalsContact O-ND2 3.15Å
134S59.8Low66.4Low50 Ų50107.9 Ų107.935%0.3555%0.548SS..Hα-helixtrans-70.4-38.5174.182.90000111.3E130 A131 N137 K138E130-S134 WeakPolarHBondContact O-CB 3.42Å; E130-S134 PolarHBondContact O-N 3.18Å; A131-S134 PolarHBondContact O-N 2.89Å; A131-S134 PolarHBondContact O-OG 3.21Å; S134-N137 CarbonylContact O-C 3.54Å; S134-N137 VanDerWaalsContact O-C 3.28Å; S134-N137 PolarHBondContact O-N 3.39Å; S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.15Å
135N56.2Low64Low92 Ų92109.4 Ų109.449%0.49255%0.553SS.*Hα-helixtrans-71-30.9179.6-76.3-21.3000112.4A131 K132 K138A131-N135 VanDerWaalsContact O-CB 3.31Å; A131-N135 WeakPolarHBondContact O-CB 3.19Å; A131-N135 PolarHBondContact O-N 3.38Å; A131-N135 PolarHBondContact O-ND2 3.13Å; K132-N135 PolarHBondContact O-N 2.95Å; N135-K138 PolarHBondContact O-N 3.38Å; N135-K138 WeakPolarHBondContact OD1-CD 3.46Å; N135-K138 WeakPolarHBondContact OD1-CE 3.47Å; N135-K138 PolarHBondContact OD1-NZ 2.89Å
136S55.9Low62.2Low86 Ų86111.6 Ų111.660%0.60157%0.571SS**Hα-helixtrans-72.5-30.6169.244.60000112.7K132 R133 K138K132-S136 PolarHBondContact O-N 2.94Å; K132-S136 PolarHBondContact O-OG 3.34Å; R133-S136 WeakPolarHBondContact CA-OG 3.35Å; R133-S136 PolarHBondContact O-OG 2.85Å; S136-K138 VanDerWaalsContact C-N 3.34Å
137N49.9Very low60.9Low133 Ų133110.7 Ų110.771%0.71156%0.562SS**SBendtrans-85.70.9170.6-70.4-37.2000114.2R133 S134 L139R133-N137 WeakPolarHBondContact O-CB 3.42Å; R133-N137 PolarHBondContact O-N 2.56Å; R133-N137 VanDerWaalsContact O-N 3.15Å; R133-N137 PolarHBondContact O-ND2 2.89Å; R133-N137 VanDerWaalsContact O-ND2 3.15Å; S134-N137 CarbonylContact O-C 3.54Å; S134-N137 VanDerWaalsContact O-C 3.28Å; S134-N137 PolarHBondContact O-N 3.39Å; N137-L139 PolarHBondContact O-N 2.86Å; N137-L139 VanDerWaalsContact O-N 3.11Å
138K46.6Very low60.5Low139 Ų139109.9 Ų109.960%0.60456%0.561SS**  trans-82.951.2163.2-73.8173.3-164169.10109.3S134 N135 S136S134-K138 WeakPolarHBondContact O-CG 3.46Å; S134-K138 PolarHBondContact O-N 3.15Å; N135-K138 PolarHBondContact O-N 3.38Å; N135-K138 WeakPolarHBondContact OD1-CD 3.46Å; N135-K138 WeakPolarHBondContact OD1-CE 3.47Å; N135-K138 PolarHBondContact OD1-NZ 2.89Å; S136-K138 VanDerWaalsContact C-N 3.34Å
139L45.2Very low60.3Low129 Ų129105.7 Ų105.768%0.67555%0.545SS*.SBendtrans-55.2130.7136-16969.9000104.7N137 K141N137-L139 PolarHBondContact O-N 2.86Å; N137-L139 VanDerWaalsContact O-N 3.11Å; L139-K141 PolarHBondContact O-N 3.1Å
140P44.5Very low60.3Low110 Ų110105.4 Ų105.471%0.71454%0.544SS*.  trans-51.6113.8-179.620.1-29.6000106.8D142P140-D142 PolarHBondContact O-N 3.43Å
141K39.5Very low60.5Low181 Ų181102.9 Ų102.979%0.78753%0.534SS*.  trans-46.4119.7173.3-118.6174.5177.5179.70104.8L139 Q143L139-K141 PolarHBondContact O-N 3.1Å; K141-Q143 HydrophobicContact CB-CB 4.39Å; K141-Q143 PolarHBondContact O-N 3.28Å
142D39.4Very low60.9Low125 Ų125103 Ų10367%0.66853%0.525SS*.  trans-67.949.4172.5-156.915.6000108.9P140 R144P140-D142 PolarHBondContact O-N 3.43Å; D142-R144 PolarHBondContact O-N 3.3Å; D142-R144 VanDerWaalsContact O-N 3.09Å; D142-R144 WeakPolarHBondContact OD1-CG 3.5Å; D142-R144 IonicContact OD1-CZ 3.66Å; D142-R144 IonicContact OD1-NE 2.8Å; D142-R144 PolarHBondContact OD1-NE 3.42Å; D142-R144 IonicContact OD1-NH2 3.65Å; D142-R144 IonicContact OD2-NE 3.99Å
143Q44.4Very low61.5Low110 Ų11098.3 Ų98.351%0.51451%0.505SS..  trans-85.570.9170.4-166162.812.100104.8K141 E145K141-Q143 HydrophobicContact CB-CB 4.39Å; K141-Q143 PolarHBondContact O-N 3.28Å; Q143-E145 HydrophobicContact CG-CG 3.94Å; Q143-E145 PolarHBondContact NE2-OE1 3.01Å; Q143-E145 PolarHBondContact O-N 2.78Å
144R51.3Low62.3Low159 Ų15995.5 Ų95.560%0.650%0.498SS*.  trans-68.764.4160.8-58.5178.5-165.1-147.3-4107.8D142D142-R144 PolarHBondContact O-N 3.3Å; D142-R144 VanDerWaalsContact O-N 3.09Å; D142-R144 WeakPolarHBondContact OD1-CG 3.5Å; D142-R144 IonicContact OD1-CZ 3.66Å; D142-R144 IonicContact OD1-NE 2.8Å; D142-R144 PolarHBondContact OD1-NE 3.42Å; D142-R144 IonicContact OD1-NH2 3.65Å; D142-R144 IonicContact OD2-NE 3.99Å
145E44Very low63.8Low129 Ų12997.1 Ų97.160%0.60350%0.496SS*.  trans-57.3135.6147.1-75.1170.1-162.900105.4Q143 F147Q143-E145 HydrophobicContact CG-CG 3.94Å; Q143-E145 PolarHBondContact NE2-OE1 3.01Å; Q143-E145 PolarHBondContact O-N 2.78Å; E145-F147 WeakPolarHBondContact O-CD2 3.5Å; E145-F147 PolarHBondContact O-N 3.33Å
146A52.9Low65.6Low97 Ų9792.7 Ų92.780%0.80247%0.473SS*.  trans-59.188-175.300000109.6T148A146-T148 PolarHBondContact O-N 3.08Å; A146-T148 VanDerWaalsContact O-N 3.08Å
147F64Low67.3Low90 Ų9093 Ų9340%0.39547%0.468SS..  trans-53.7121.1180-81.9-78.1000107.1E145 D151 Y152 R155E145-F147 WeakPolarHBondContact O-CD2 3.5Å; E145-F147 PolarHBondContact O-N 3.33Å; F147-D151 HydrophobicContact CB-CB 4.47Å; F147-D151 HydrophobicContact CD1-CB 3.74Å; F147-Y152 HydrophobicContact CB-CD2 4.21Å; F147-Y152 HydrophobicContact CB-CE1 4.12Å; F147-Y152 HydrophobicContact CB-CE2 3.48Å; F147-Y152 VanDerWaalsContact CB-CE2 3.48Å; F147-Y152 VanDerWaalsContact CB-CZ 3.43Å; F147-Y152 WeakPolarHBondContact CB-OH 3.44Å; F147-Y152 WeakPolarHBondContact O-CE2 3.37Å; F147-R155 VanDerWaalsContact CE1-NH2 3.25Å
148T81.4Confident69.3Low74 Ų7496.5 Ų96.545%0.45447%0.471SS..  trans-75.6157.5177.862.40000108.9A146 Q150 D151 Y152A146-T148 PolarHBondContact O-N 3.08Å; A146-T148 VanDerWaalsContact O-N 3.08Å; T148-Q150 PolarHBondContact O-N 3.4Å; T148-D151 PolarHBondContact N-OD2 2.88Å; T148-D151 WeakPolarHBondContact O-CB 3.44Å; T148-D151 PolarHBondContact O-N 2.76Å; T148-D151 VanDerWaalsContact OG1-CG 3.22Å; T148-D151 PolarHBondContact OG1-N 3.33Å; T148-D151 PolarHBondContact OG1-OD2 3.31Å; T148-Y152 VanDerWaalsContact O-CD2 3.25Å; T148-Y152 WeakPolarHBondContact O-CD2 3.34Å; T148-Y152 PolarHBondContact O-N 2.9Å
149A83.9Confident71.3Confident19 Ų19100.2 Ų100.216%0.15748%0.481CS..Hα-helixtrans-51.6-32.8173.800000112.4F153 P243 Y248A149-F153 WeakPolarHBondContact O-CB 3.16Å; A149-F153 PolarHBondContact O-N 3Å; A149-P243 HydrophobicContact CB-CG 3.63Å; A149-Y248 HydrophobicContact CB-CD2 3.31Å; A149-Y248 HydrophobicContact CB-CE2 3.7Å; A149-Y248 HydrophobicContact CB-CG 4.15Å
150Q86.9Confident73.5Confident85 Ų8594.8 Ų94.840%0.39745%0.453SS..Hα-helixtrans-61.5-42.9174.1-179.568.813.500112.2T148 F153 Q154 Y248T148-Q150 PolarHBondContact O-N 3.4Å; Q150-F153 WeakPolarHBondContact O-CB 3.15Å; Q150-F153 PolarHBondContact O-N 2.61Å; Q150-Q154 WeakPolarHBondContact O-CG 2.81Å; Q150-Q154 PolarHBondContact O-N 3.16Å; Q150-Y248 PolarHBondContact OE1-OH 3.27Å
151D89.2Confident75.8Confident68 Ų6892.1 Ų92.136%0.36443%0.428SS..Hα-helixtrans-66.4-42.8-178.6-59.3-45.5000111.2F147 T148 F153 Q154 R155F147-D151 HydrophobicContact CB-CB 4.47Å; F147-D151 HydrophobicContact CD1-CB 3.74Å; T148-D151 PolarHBondContact N-OD2 2.88Å; T148-D151 WeakPolarHBondContact O-CB 3.44Å; T148-D151 PolarHBondContact O-N 2.76Å; T148-D151 VanDerWaalsContact OG1-CG 3.22Å; T148-D151 PolarHBondContact OG1-N 3.33Å; T148-D151 PolarHBondContact OG1-OD2 3.31Å; D151-F153 VanDerWaalsContact C-N 3.3Å; D151-F153 PolarHBondContact O-N 3.49Å; D151-Q154 PolarHBondContact O-N 3.27Å; D151-R155 PolarHBondContact O-N 2.75Å
152Y90.6Very high78.2Confident45 Ų4586 Ų8618%0.17641%0.411CS..Hα-helixtrans-61.2-40.9172.3-63.9-70.5000111.3F147 T148 Q154 R155 P241F147-Y152 HydrophobicContact CB-CD2 4.21Å; F147-Y152 HydrophobicContact CB-CE1 4.12Å; F147-Y152 HydrophobicContact CB-CE2 3.48Å; F147-Y152 VanDerWaalsContact CB-CE2 3.48Å; F147-Y152 VanDerWaalsContact CB-CZ 3.43Å; F147-Y152 WeakPolarHBondContact CB-OH 3.44Å; F147-Y152 WeakPolarHBondContact O-CE2 3.37Å; T148-Y152 VanDerWaalsContact O-CD2 3.25Å; T148-Y152 WeakPolarHBondContact O-CD2 3.34Å; T148-Y152 PolarHBondContact O-N 2.9Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.87Å; Y152-R155 WeakPolarHBondContact O-CB 3.48Å; Y152-R155 PolarHBondContact O-N 3Å; Y152-P241 HydrophobicContact CD1-CB 4.06Å; Y152-P241 HydrophobicContact CD1-CG 3.81Å; Y152-P241 HydrophobicContact CD2-CB 3.92Å; Y152-P241 HydrophobicContact CE1-CB 4.13Å; Y152-P241 HydrophobicContact CE1-CG 3.99Å; Y152-P241 HydrophobicContact CE2-CB 3.99Å; Y152-P241 HydrophobicContact CG-CB 3.94Å; Y152-P241 HydrophobicContact CG-CG 4.12Å
153F91.9Very high80.5Confident1 Ų181.1 Ų81.10%0.00439%0.386CS..Hα-helixtrans-64.5-37.6177-171.6-106.1000112.3A149 Q150 D151 R155 I156 R161 L164 K165 Y212 L245 Y248 L249A149-F153 WeakPolarHBondContact O-CB 3.16Å; A149-F153 PolarHBondContact O-N 3Å; Q150-F153 WeakPolarHBondContact O-CB 3.15Å; Q150-F153 PolarHBondContact O-N 2.61Å; D151-F153 VanDerWaalsContact C-N 3.3Å; D151-F153 PolarHBondContact O-N 3.49Å; F153-R155 PolarHBondContact O-N 3.05Å; F153-I156 HydrophobicContact CD2-CD1 3.81Å; F153-I156 HydrophobicContact CE2-CD1 4.14Å; F153-I156 WeakPolarHBondContact O-CB 3.45Å; F153-I156 PolarHBondContact O-N 2.75Å; F153-R161 HydrophobicContact CD1-CG 4.41Å; F153-R161 HydrophobicContact CE1-CB 4.03Å; F153-R161 HydrophobicContact CE1-CG 3.91Å; F153-R161 HydrophobicContact CE2-CG 4.42Å; F153-R161 HydrophobicContact CZ-CB 3.91Å; F153-R161 HydrophobicContact CZ-CG 3.92Å; F153-R161 WeakPolarHBondContact O-CD 3.29Å; F153-L164 HydrophobicContact CE2-CB 4.3Å; F153-L164 HydrophobicContact CE2-CD1 3.95Å; F153-L164 HydrophobicContact CZ-CB 4.46Å; F153-K165 HydrophobicContact CZ-CG 4.39Å; F153-Y212 HydrophobicContact CB-CE2 4.28Å; F153-L245 HydrophobicContact CD2-CD1 3.76Å; F153-L245 HydrophobicContact CE2-CD1 4.13Å; F153-Y248 HydrophobicContact CB-CD1 4.24Å; F153-Y248 HydrophobicContact CB-CE1 3.53Å; F153-Y248 AromaticContact CD1-CE1 3.97Å; F153-Y248 HydrophobicContact CD1-CE1 3.97Å; F153-Y248 AromaticContact CD2-CD1 3.9Å; F153-Y248 HydrophobicContact CD2-CD1 3.9Å; F153-Y248 AromaticContact CD2-CE1 3.46Å; F153-Y248 HydrophobicContact CD2-CE1 3.46Å; F153-Y248 VanDerWaalsContact CD2-CE1 3.46Å; F153-Y248 HydrophobicContact CE2-CE1 4.12Å; F153-Y248 HydrophobicContact CG-CD1 4.19Å; F153-Y248 AromaticContact CG-CE1 3.37Å; F153-Y248 HydrophobicContact CG-CE1 3.37Å; F153-L249 HydrophobicContact CE2-CD2 3.83Å; F153-L249 HydrophobicContact CZ-CD2 4.34Å
154Q91.5Very high82.7Confident84 Ų8476.1 Ų76.139%0.39336%0.363SS..Hα-helixtrans-68.5-17.1177-68.4-61.5-21.700113.9Q150 D151 Y152 I156 R161Q150-Q154 WeakPolarHBondContact O-CG 2.81Å; Q150-Q154 PolarHBondContact O-N 3.16Å; D151-Q154 PolarHBondContact O-N 3.27Å; Y152-Q154 VanDerWaalsContact C-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.87Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; Q154-R161 PolarHBondContact O-NH1 2.96Å; Q154-R161 VanDerWaalsContact OE1-CZ 3.24Å; Q154-R161 VanDerWaalsContact OE1-NH2 3.1Å
155R90.8Very high84.3Confident83 Ų8374.9 Ų74.931%0.31336%0.362SS..Hα-helixtrans-70.3-29171.8-63.6176.9-172.1-169.83.6112.8F147 D151 Y152 F153 D214F147-R155 VanDerWaalsContact CE1-NH2 3.25Å; D151-R155 PolarHBondContact O-N 2.75Å; Y152-R155 WeakPolarHBondContact O-CB 3.48Å; Y152-R155 PolarHBondContact O-N 3Å; F153-R155 PolarHBondContact O-N 3.05Å; R155-D214 IonicContact NH1-OD1 2.75Å; R155-D214 PolarHBondContact NH1-OD1 2.95Å
156I93.1Very high86.1Confident0 Ų075.4 Ų75.40%036%0.359CS..SBendtrans-64.4136.8177.8-58.3176.4000109F153 Q154 R158 L160 R161 L164 A208 Q211 Y212 L245F153-I156 HydrophobicContact CD2-CD1 3.81Å; F153-I156 HydrophobicContact CE2-CD1 4.14Å; F153-I156 WeakPolarHBondContact O-CB 3.45Å; F153-I156 PolarHBondContact O-N 2.75Å; Q154-I156 VanDerWaalsContact C-N 3.32Å; I156-R158 PolarHBondContact O-N 3.42Å; I156-L160 HydrophobicContact CG2-CB 3.42Å; I156-L160 VanDerWaalsContact CG2-CB 3.42Å; I156-L160 HydrophobicContact CG2-CD1 4.23Å; I156-L160 HydrophobicContact CG2-CG 4.46Å; I156-R161 HydrophobicContact CB-CG 3.75Å; I156-R161 HydrophobicContact CG2-CG 3.8Å; I156-R161 WeakPolarHBondContact O-CD 3.38Å; I156-R161 WeakPolarHBondContact O-CG 3.43Å; I156-R161 PolarHBondContact O-NH1 2.87Å; I156-L164 HydrophobicContact CD1-CD1 3.78Å; I156-L164 HydrophobicContact CG2-CD1 4.34Å; I156-A208 HydrophobicContact CG2-CB 4.18Å; I156-Q211 VanDerWaalsContact CA-OE1 3.25Å; I156-Q211 HydrophobicContact CG1-CB 4.23Å; I156-Y212 HydrophobicContact CD1-CD2 3.99Å; I156-Y212 HydrophobicContact CD1-CG 4.44Å; I156-Y212 HydrophobicContact CG1-CD2 4.45Å; I156-L245 HydrophobicContact CD1-CD1 3.77Å; I156-L245 HydrophobicContact CD1-CD2 3.93Å
157D92.8Very high86.6Confident91 Ų9180.6 Ų80.649%0.48736%0.363SS..  trans-53141.8179.8-73-38.3000112.3R159 L160 R161 Q211D157-R159 PolarHBondContact O-N 3.19Å; D157-L160 HydrophobicContact CB-CB 4.37Å; D157-L160 HydrophobicContact CB-CD1 4.15Å; D157-L160 HydrophobicContact CB-CG 4.23Å; D157-L160 WeakPolarHBondContact O-CA 3.07Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.27Å; D157-R161 PolarHBondContact O-N 3.09Å; D157-Q211 PolarHBondContact OD2-NE2 3.13Å
158R91.1Very high87.2Confident207 Ų20784.8 Ų84.878%0.78138%0.384SS*.Hα-helixtrans-47.9-40.1-179.7-177.9-178.4173.6-156.9-1.1113.1I156 A162I156-R158 PolarHBondContact O-N 3.42Å; R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 3.05Å
159R89Confident87.3Confident218 Ų21882.5 Ų82.582%0.82337%0.369SS*.Hα-helixtrans-70.1-37.2179.9-65.9177.967-173.20.1112.7D157 T163D157-R159 PolarHBondContact O-N 3.19Å; R159-T163 PolarHBondContact O-N 3.2Å; R159-T163 PolarHBondContact O-OG1 2.9Å
160L90.9Very high87.6Confident15 Ų1584.3 Ų84.38%0.07938%0.379CS..Hα-helixtrans-70.2-45.9175.8-69.6176.3000109.9I156 D157 A162 T163 L164 L204 H207 A208I156-L160 HydrophobicContact CG2-CB 3.42Å; I156-L160 VanDerWaalsContact CG2-CB 3.42Å; I156-L160 HydrophobicContact CG2-CD1 4.23Å; I156-L160 HydrophobicContact CG2-CG 4.46Å; D157-L160 HydrophobicContact CB-CB 4.37Å; D157-L160 HydrophobicContact CB-CD1 4.15Å; D157-L160 HydrophobicContact CB-CG 4.23Å; D157-L160 WeakPolarHBondContact O-CA 3.07Å; D157-L160 WeakPolarHBondContact O-CB 3.36Å; D157-L160 PolarHBondContact O-N 3.27Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.44Å; L160-T163 CarbonylContact O-C 3.45Å; L160-T163 WeakPolarHBondContact O-CA 3.26Å; L160-T163 WeakPolarHBondContact O-CB 3.31Å; L160-T163 PolarHBondContact O-N 3.21Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 2.85Å; L160-L204 HydrophobicContact CD2-CD1 3.27Å; L160-L204 HydrophobicContact CD2-CD2 4.3Å; L160-L204 HydrophobicContact CD2-CG 3.46Å; L160-L204 VanDerWaalsContact CD2-CG 3.46Å; L160-H207 HydrophobicContact CD1-CB 4.39Å; L160-A208 HydrophobicContact CB-CB 4.27Å; L160-A208 HydrophobicContact CD1-CB 4.17Å; L160-A208 HydrophobicContact CD2-CB 4.49Å
161R93.3Very high87.8Confident53 Ų5382.8 Ų82.820%0.237%0.373CS..Hα-helixtrans-55.3-43.7173.7-62.6-168.5-51.9-117.719.4112.6F153 Q154 I156 D157 T163 L164 K165F153-R161 HydrophobicContact CD1-CG 4.41Å; F153-R161 HydrophobicContact CE1-CB 4.03Å; F153-R161 HydrophobicContact CE1-CG 3.91Å; F153-R161 HydrophobicContact CE2-CG 4.42Å; F153-R161 HydrophobicContact CZ-CB 3.91Å; F153-R161 HydrophobicContact CZ-CG 3.92Å; F153-R161 WeakPolarHBondContact O-CD 3.29Å; Q154-R161 PolarHBondContact O-NH1 2.96Å; Q154-R161 VanDerWaalsContact OE1-CZ 3.24Å; Q154-R161 VanDerWaalsContact OE1-NH2 3.1Å; I156-R161 HydrophobicContact CB-CG 3.75Å; I156-R161 HydrophobicContact CG2-CG 3.8Å; I156-R161 WeakPolarHBondContact O-CD 3.38Å; I156-R161 WeakPolarHBondContact O-CG 3.43Å; I156-R161 PolarHBondContact O-NH1 2.87Å; D157-R161 PolarHBondContact O-N 3.09Å; R161-T163 PolarHBondContact O-N 3.26Å; R161-L164 CarbonylContact O-C 3.5Å; R161-L164 PolarHBondContact O-N 3.33Å; R161-L164 VanDerWaalsContact O-N 3.16Å; R161-K165 WeakPolarHBondContact O-CG 3.41Å; R161-K165 PolarHBondContact O-N 3.25Å
162A89.4Confident87.9Confident52 Ų5281.4 Ų81.443%0.4337%0.374SS..Hα-helixtrans-62.5-30176.300000112.8R158 L160R158-A162 WeakPolarHBondContact O-CB 3.23Å; R158-A162 PolarHBondContact O-N 3.05Å; L160-A162 VanDerWaalsContact C-N 3.3Å; L160-A162 PolarHBondContact O-N 3.44Å
163T88.8Confident88Confident23 Ų2381.2 Ų81.214%0.14138%0.378CS..Hα-helixtrans-76.3-39.2174.2-53.40000111R159 L160 R161 K165 R166 F201 L204R159-T163 PolarHBondContact O-N 3.2Å; R159-T163 PolarHBondContact O-OG1 2.9Å; L160-T163 CarbonylContact O-C 3.45Å; L160-T163 WeakPolarHBondContact O-CA 3.26Å; L160-T163 WeakPolarHBondContact O-CB 3.31Å; L160-T163 PolarHBondContact O-N 3.21Å; R161-T163 PolarHBondContact O-N 3.26Å; T163-K165 VanDerWaalsContact C-N 3.29Å; T163-K165 PolarHBondContact O-N 2.9Å; T163-R166 WeakPolarHBondContact O-CB 3.49Å; T163-R166 PolarHBondContact O-N 3.37Å; T163-F201 HydrophobicContact CG2-CE2 4.3Å; T163-L204 HydrophobicContact CG2-CD2 3.91Å
164L89.2Confident88.1Confident6 Ų681.2 Ų81.23%0.03138%0.378CS..Hα-helixtrans-72-12.3177.7-66.7178.1000114.9F153 I156 L160 R161 I169 L205 A208 L245 L249F153-L164 HydrophobicContact CE2-CB 4.3Å; F153-L164 HydrophobicContact CE2-CD1 3.95Å; F153-L164 HydrophobicContact CZ-CB 4.46Å; I156-L164 HydrophobicContact CD1-CD1 3.78Å; I156-L164 HydrophobicContact CG2-CD1 4.34Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 2.85Å; R161-L164 CarbonylContact O-C 3.5Å; R161-L164 PolarHBondContact O-N 3.33Å; R161-L164 VanDerWaalsContact O-N 3.16Å; L164-I169 HydrophobicContact CB-CD1 4.39Å; L164-I169 WeakPolarHBondContact O-CD1 3.41Å; L164-L205 HydrophobicContact CD2-CD2 3.96Å; L164-A208 HydrophobicContact CD1-CB 3.96Å; L164-L245 HydrophobicContact CD1-CD1 4.35Å; L164-L245 HydrophobicContact CD1-CD2 3.99Å; L164-L249 HydrophobicContact CB-CD1 4.15Å; L164-L249 HydrophobicContact CB-CD2 4.2Å; L164-L249 HydrophobicContact CD1-CD1 4.42Å; L164-L249 HydrophobicContact CD2-CD1 3.95Å; L164-L249 HydrophobicContact CG-CD1 4.4Å
165K86.1Confident88.3Confident132 Ų13280.8 Ų80.857%0.57438%0.376SS*.THydrogen-bonded Turntrans-92.50.6173.5-71.3-174.3178.2-164.50113.7F153 R161 T163F153-K165 HydrophobicContact CZ-CG 4.39Å; R161-K165 WeakPolarHBondContact O-CG 3.41Å; R161-K165 PolarHBondContact O-N 3.25Å; T163-K165 VanDerWaalsContact C-N 3.29Å; T163-K165 PolarHBondContact O-N 2.9Å
166R81.5Confident88.6Confident141 Ų14180.5 Ų80.553%0.53238%0.383SS..SBendtrans-81.6137.8-179.4-65.9-179.8178.5149.40.9110T163 Q168 I169T163-R166 WeakPolarHBondContact O-CB 3.49Å; T163-R166 PolarHBondContact O-N 3.37Å; R166-Q168 PolarHBondContact O-N 3.07Å; R166-I169 WeakPolarHBondContact O-CD1 3.49Å
167K63.1Low88.7Confident206 Ų20681.1 Ų81.190%0.89639%0.386SS*.THydrogen-bonded Turntrans-58.78.1-177.6-62.6-168.2175-167.70117.1
168Q76.2Confident88.9Confident177 Ų17776.8 Ų76.883%0.82736%0.363SS*.THydrogen-bonded Turntrans-134.939.5-174.3-63.9-173.715.800112.7R166 P170R166-Q168 PolarHBondContact O-N 3.07Å; Q168-P170 WeakPolarHBondContact O-CD 3.5Å
169I83.9Confident89.2Confident27 Ų2772.7 Ų72.714%0.13835%0.353CS..  trans-84.6126.7173.6-63.1137.8000108.4L164 R166 I171 L205L164-I169 HydrophobicContact CB-CD1 4.39Å; L164-I169 WeakPolarHBondContact O-CD1 3.41Å; R166-I169 WeakPolarHBondContact O-CD1 3.49Å; I169-I171 VanDerWaalsContact C-N 3.32Å; I169-I171 PolarHBondContact O-N 3.39Å; I169-L205 HydrophobicContact CG2-CD2 4.39Å
170P89.3Confident89.5Confident57 Ų5765.5 Ų65.537%0.3733%0.331SS..  trans-67.690.8171.1-17.732.8000109.8Q168 G172 T173 L174 F201Q168-P170 WeakPolarHBondContact O-CD 3.5Å; P170-G172 VanDerWaalsContact C-N 3.28Å; P170-G172 PolarHBondContact O-N 3.14Å; P170-T173 WeakPolarHBondContact CB-OG1 3.44Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 2.89Å; P170-L174 PolarHBondContact O-N 2.84Å; P170-F201 HydrophobicContact CG-CE1 4.02Å
171I91.4Very high89.8Confident53 Ų5364.8 Ų64.827%0.27233%0.327SS..Hα-helixtrans-56.1-43.1-178.4-69.2152.2000110.9I169 T173 L174 E175 E250I169-I171 VanDerWaalsContact C-N 3.32Å; I169-I171 PolarHBondContact O-N 3.39Å; I171-T173 PolarHBondContact O-N 3.44Å; I171-L174 WeakPolarHBondContact O-CA 3.41Å; I171-L174 WeakPolarHBondContact O-CB 3.48Å; I171-L174 PolarHBondContact O-N 3.33Å; I171-E175 HydrophobicContact CG2-CG 4.3Å; I171-E175 PolarHBondContact O-N 2.8Å; I171-E250 HydrophobicContact CD1-CG 3.89Å; I171-E250 HydrophobicContact CG1-CG 4.49Å; I171-E250 HydrophobicContact CG2-CG 4.2Å
172G92.3Very high89.9Confident38 Ų3865.6 Ų65.639%0.39234%0.335SS..Hα-helixtrans-61.1-29.1177.300000114.3P170 L174 V176P170-G172 VanDerWaalsContact C-N 3.28Å; P170-G172 PolarHBondContact O-N 3.14Å; G172-L174 VanDerWaalsContact C-N 3.32Å; G172-V176 VanDerWaalsContact O-CG2 3.31Å; G172-V176 WeakPolarHBondContact O-CG2 3.34Å; G172-V176 PolarHBondContact O-N 2.97Å
173T92.3Very high90.2Very high42 Ų4266.5 Ų66.526%0.25834%0.338SS..Hα-helixtrans-69.4-35.5171.7-560000111.1P170 I171 L177 E202 L205P170-T173 WeakPolarHBondContact CB-OG1 3.44Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 2.89Å; I171-T173 PolarHBondContact O-N 3.44Å; T173-L177 HydrophobicContact CG2-CD1 4.41Å; T173-L177 VanDerWaalsContact O-CG 3.28Å; T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 2.8Å; T173-E202 HydrophobicContact CG2-CG 3.99Å; T173-L205 HydrophobicContact CG2-CD1 4.16Å
174L94Very high90.6Very high0 Ų067.8 Ų67.80%034%0.342CS..Hα-helixtrans-67.3-46.9177.3-157.268.6000110.9P170 I171 G172 V176 L177 E178 L205 V209 L245 L249P170-L174 PolarHBondContact O-N 2.84Å; I171-L174 WeakPolarHBondContact O-CA 3.41Å; I171-L174 WeakPolarHBondContact O-CB 3.48Å; I171-L174 PolarHBondContact O-N 3.33Å; G172-L174 VanDerWaalsContact C-N 3.32Å; L174-V176 VanDerWaalsContact C-N 3.34Å; L174-V176 PolarHBondContact O-N 3.16Å; L174-L177 PolarHBondContact O-N 3.02Å; L174-L177 VanDerWaalsContact O-N 3.13Å; L174-E178 WeakPolarHBondContact O-CB 3.36Å; L174-E178 VanDerWaalsContact O-CG 3.29Å; L174-E178 WeakPolarHBondContact O-CG 3.48Å; L174-E178 PolarHBondContact O-N 3.03Å; L174-L205 HydrophobicContact CD1-CB 4.07Å; L174-L205 HydrophobicContact CD1-CD2 4.4Å; L174-V209 HydrophobicContact CD1-CG2 3.36Å; L174-V209 HydrophobicContact CG-CG2 3.99Å; L174-L245 HydrophobicContact CD1-CD2 4.37Å; L174-L245 HydrophobicContact CD2-CB 4.31Å; L174-L245 HydrophobicContact CD2-CD2 4.06Å; L174-L245 HydrophobicContact CD2-CG 3.9Å; L174-L249 HydrophobicContact CD2-CD1 3.79Å
175E95.8Very high90.9Very high75 Ų7567.5 Ų67.535%0.3534%0.34SS..Hα-helixtrans-54.6-48176.3-68.7172.1168.400111.7I171 L177 E178 E179I171-E175 HydrophobicContact CG2-CG 4.3Å; I171-E175 PolarHBondContact O-N 2.8Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.49Å; E175-E178 WeakPolarHBondContact O-CB 3.4Å; E175-E178 PolarHBondContact O-N 2.92Å; E175-E179 WeakPolarHBondContact O-CB 3.5Å; E175-E179 WeakPolarHBondContact O-CG 3.35Å; E175-E179 PolarHBondContact O-N 3.31Å
176V96.5Very high91.1Very high78 Ų7863.9 Ų63.947%0.47334%0.341SS..Hα-helixtrans-61.8-41.6178.4171.10000111.6G172 L174 E178 N180G172-V176 VanDerWaalsContact O-CG2 3.31Å; G172-V176 WeakPolarHBondContact O-CG2 3.34Å; G172-V176 PolarHBondContact O-N 2.97Å; L174-V176 VanDerWaalsContact C-N 3.34Å; L174-V176 PolarHBondContact O-N 3.16Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-N180 WeakPolarHBondContact O-CB 3.29Å; V176-N180 PolarHBondContact O-N 3.49Å; V176-N180 VanDerWaalsContact O-N 3.09Å; V176-N180 PolarHBondContact O-ND2 3.03Å
177L96.4Very high91.7Very high12 Ų1261 Ų616%0.06335%0.347CS..Hα-helixtrans-65.1-40.5176.9-69171.8000111.5T173 L174 E175 L181 L205 L206T173-L177 HydrophobicContact CG2-CD1 4.41Å; T173-L177 VanDerWaalsContact O-CG 3.28Å; T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 2.8Å; L174-L177 PolarHBondContact O-N 3.02Å; L174-L177 VanDerWaalsContact O-N 3.13Å; E175-L177 VanDerWaalsContact C-N 3.34Å; E175-L177 PolarHBondContact O-N 3.49Å; L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 3.14Å; L177-L205 HydrophobicContact CD1-CB 3.86Å; L177-L206 HydrophobicContact CD1-CB 4.24Å; L177-L206 HydrophobicContact CD2-CB 4.44Å; L177-L206 HydrophobicContact CD2-CD1 4.35Å
178E96.4Very high93.1Very high0 Ų055.9 Ų55.90%033%0.326CS..Hα-helixtrans-63.8-48177.2-75-172.512700112.5L174 E175 V176 N180 L181 L182 V209 M213 M244 L245 S246L174-E178 WeakPolarHBondContact O-CB 3.36Å; L174-E178 VanDerWaalsContact O-CG 3.29Å; L174-E178 WeakPolarHBondContact O-CG 3.48Å; L174-E178 PolarHBondContact O-N 3.03Å; E175-E178 WeakPolarHBondContact O-CB 3.4Å; E175-E178 PolarHBondContact O-N 2.92Å; V176-E178 VanDerWaalsContact C-N 3.33Å; E178-N180 VanDerWaalsContact C-N 3.33Å; E178-N180 PolarHBondContact O-N 2.9Å; E178-L181 PolarHBondContact O-N 2.86Å; E178-L182 VanDerWaalsContact O-CB 3.26Å; E178-L182 WeakPolarHBondContact O-CB 3.27Å; E178-L182 PolarHBondContact O-N 2.83Å; E178-V209 HydrophobicContact CB-CG1 4.49Å; E178-V209 HydrophobicContact CG-CB 4.44Å; E178-V209 HydrophobicContact CG-CG1 3.59Å; E178-V209 HydrophobicContact CG-CG2 3.91Å; E178-M213 HydrophobicContact CB-CE 3.8Å; E178-M213 HydrophobicContact CG-CE 3.75Å; E178-M244 HydrophobicContact CB-CE 3.62Å; E178-M244 HydrophobicContact CG-CE 4.3Å; E178-L245 WeakPolarHBondContact OE1-CA 3.41Å; E178-L245 WeakPolarHBondContact OE1-CB 3.42Å; E178-L245 PolarHBondContact OE1-N 3.09Å; E178-S246 WeakPolarHBondContact OE2-CB 3.41Å; E178-S246 PolarHBondContact OE2-N 3.28Å; E178-S246 PolarHBondContact OE2-OG 3.3Å
179E96.5Very high93.9Very high122 Ų12248.5 Ų48.557%0.5729%0.294SS*.Hα-helixtrans-61.3-40.5177.5-74.1179.8176.400112.1E175 L181 L182 S183E175-E179 WeakPolarHBondContact O-CB 3.5Å; E175-E179 WeakPolarHBondContact O-CG 3.35Å; E175-E179 PolarHBondContact O-N 3.31Å; E179-L181 PolarHBondContact O-N 3.39Å; E179-L182 PolarHBondContact O-N 2.9Å; E179-S183 VanDerWaalsContact O-CB 3.27Å; E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 2.76Å; E179-S183 PolarHBondContact O-OG 3.08Å
180N96.7Very high94.2Very high66 Ų6653.5 Ų53.535%0.35332%0.316SS..Hα-helixtrans-61.7-43.9176.7-74.5-36.7000111.7V176 E178 S183 F184V176-N180 WeakPolarHBondContact O-CB 3.29Å; V176-N180 PolarHBondContact O-N 3.49Å; V176-N180 VanDerWaalsContact O-N 3.09Å; V176-N180 PolarHBondContact O-ND2 3.03Å; E178-N180 VanDerWaalsContact C-N 3.33Å; E178-N180 PolarHBondContact O-N 2.9Å; N180-S183 PolarHBondContact O-OG 3.35Å; N180-S183 VanDerWaalsContact O-OG 3.06Å; N180-F184 VanDerWaalsContact O-CB 3.23Å; N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3.18Å; N180-F184 VanDerWaalsContact O-N 3.08Å
181L96.2Very high94.5Very high0 Ų053 Ų530%031%0.314CS..Hα-helixtrans-70.6-42.3177.6-66.7174.3000111.5L177 E178 E179 F184 F185 Y193 L206 V209 M213 L215 V230L177-L181 WeakPolarHBondContact O-CG 3.3Å; L177-L181 PolarHBondContact O-N 3.14Å; E178-L181 PolarHBondContact O-N 2.86Å; E179-L181 PolarHBondContact O-N 3.39Å; L181-F184 PolarHBondContact O-N 3.44Å; L181-F185 HydrophobicContact CB-CD2 4.41Å; L181-F185 HydrophobicContact CD2-CD2 4.39Å; L181-F185 HydrophobicContact CD2-CE2 3.93Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 WeakPolarHBondContact O-CD2 3.44Å; L181-F185 PolarHBondContact O-N 2.86Å; L181-Y193 HydrophobicContact CD2-CD1 3.6Å; L181-Y193 HydrophobicContact CD2-CE1 3.91Å; L181-Y193 HydrophobicContact CD2-CG 4.04Å; L181-L206 HydrophobicContact CD1-CD1 3.78Å; L181-L206 HydrophobicContact CD2-CD1 4.31Å; L181-L206 HydrophobicContact CG-CD1 4.27Å; L181-V209 HydrophobicContact CD1-CB 4.4Å; L181-V209 HydrophobicContact CD1-CG1 3.66Å; L181-M213 HydrophobicContact CB-SD 4.2Å; L181-M213 HydrophobicContact CD1-SD 4.34Å; L181-L215 HydrophobicContact CB-CD1 4.44Å; L181-L215 HydrophobicContact CD1-CD1 4.19Å; L181-L215 HydrophobicContact CD2-CD1 4.47Å; L181-V230 HydrophobicContact CD2-CB 4.3Å; L181-V230 HydrophobicContact CD2-CG1 4.09Å; L181-V230 HydrophobicContact CD2-CG2 4.34Å
182L95.4Very high94.7Very high70 Ų7054.4 Ų54.437%0.36633%0.325SS..Hα-helixtrans-63.8-44.4-179.3-172.8148000111.5E178 E179 G186 P240 M244E178-L182 VanDerWaalsContact O-CB 3.26Å; E178-L182 WeakPolarHBondContact O-CB 3.27Å; E178-L182 PolarHBondContact O-N 2.83Å; E179-L182 PolarHBondContact O-N 2.9Å; L182-G186 WeakPolarHBondContact O-CA 3.45Å; L182-G186 PolarHBondContact O-N 3.11Å; L182-P240 HydrophobicContact CD1-CB 4.07Å; L182-P240 HydrophobicContact CD1-CG 3.94Å; L182-P240 HydrophobicContact CG-CG 4.42Å; L182-M244 HydrophobicContact CD1-CE 3.62Å
183S95.7Very high94.9Very high71 Ų7154.2 Ų54.250%0.49731%0.313SS..Hα-helixtrans-66-44.3175.9580000112.2E179 N180 A187E179-S183 VanDerWaalsContact O-CB 3.27Å; E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 2.76Å; E179-S183 PolarHBondContact O-OG 3.08Å; N180-S183 PolarHBondContact O-OG 3.35Å; N180-S183 VanDerWaalsContact O-OG 3.06Å; S183-A187 PolarHBondContact O-N 3.02Å
184F96.8Very high95.1Very high50 Ų5055.5 Ų55.522%0.21932%0.321CS..Hα-helixtrans-64.5-54.9-179.9-178-90.7000112.3N180 L181 G186 A187 Q188 V192 Y193N180-F184 VanDerWaalsContact O-CB 3.23Å; N180-F184 WeakPolarHBondContact O-CB 3.47Å; N180-F184 PolarHBondContact O-N 3.18Å; N180-F184 VanDerWaalsContact O-N 3.08Å; L181-F184 PolarHBondContact O-N 3.44Å; F184-G186 VanDerWaalsContact C-N 3.32Å; F184-G186 PolarHBondContact O-N 3.42Å; F184-A187 PolarHBondContact O-N 3.01Å; F184-Q188 PolarHBondContact O-N 3.3Å; F184-V192 WeakPolarHBondContact CZ-O 3.44Å; F184-Y193 HydrophobicContact CB-CD2 4Å; F184-Y193 HydrophobicContact CD1-CD2 4.11Å; F184-Y193 HydrophobicContact CD1-CG 4.32Å; F184-Y193 AromaticContact CD2-CD2 3.8Å; F184-Y193 HydrophobicContact CD2-CD2 3.8Å; F184-Y193 HydrophobicContact CE2-CD2 4.28Å; F184-Y193 AromaticContact CG-CD2 3.69Å; F184-Y193 HydrophobicContact CG-CD2 3.69Å; F184-Y193 HydrophobicContact CG-CG 4.35Å
185F95.5Very high95.2Very high0 Ų056.8 Ų56.80%033%0.328CS..Hα-helixtrans-75.6-21-177.6-72.5-69.2000113.1L181 A187 P189 S191 L215 V230 N232 F238L181-F185 HydrophobicContact CB-CD2 4.41Å; L181-F185 HydrophobicContact CD2-CD2 4.39Å; L181-F185 HydrophobicContact CD2-CE2 3.93Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 WeakPolarHBondContact O-CD2 3.44Å; L181-F185 PolarHBondContact O-N 2.86Å; F185-A187 VanDerWaalsContact C-N 3.33Å; F185-P189 WeakPolarHBondContact O-CA 3.42Å; F185-P189 WeakPolarHBondContact O-CG 3.41Å; F185-S191 VanDerWaalsContact CE1-O 3.26Å; F185-S191 WeakPolarHBondContact CE1-O 3.38Å; F185-L215 HydrophobicContact CD2-CD1 3.83Å; F185-L215 HydrophobicContact CD2-CD2 4.21Å; F185-L215 HydrophobicContact CE2-CD1 3.71Å; F185-L215 HydrophobicContact CE2-CD2 4.15Å; F185-L215 HydrophobicContact CZ-CD2 4.35Å; F185-V230 HydrophobicContact CE2-CB 4.45Å; F185-V230 HydrophobicContact CE2-CG1 3.9Å; F185-V230 HydrophobicContact CZ-CB 4.42Å; F185-V230 HydrophobicContact CZ-CG1 4.05Å; F185-N232 HydrophobicContact CD1-CB 3.98Å; F185-N232 HydrophobicContact CE1-CB 3.91Å; F185-F238 HydrophobicContact CB-CB 3.91Å; F185-F238 HydrophobicContact CB-CD1 3.57Å; F185-F238 HydrophobicContact CB-CD2 3.89Å; F185-F238 HydrophobicContact CB-CE1 4.01Å; F185-F238 HydrophobicContact CB-CE2 4.31Å; F185-F238 HydrophobicContact CB-CG 3.5Å; F185-F238 VanDerWaalsContact CB-CG 3.5Å; F185-F238 HydrophobicContact CB-CZ 4.35Å; F185-F238 HydrophobicContact CG-CD2 4.47Å; F185-F238 HydrophobicContact CG-CG 4.5Å
186G92Very high95.1Very high57 Ų5757.8 Ų57.859%0.58834%0.336SS*.Hα-helixtrans-65.6-35.2168.400000112.8L182 F184L182-G186 WeakPolarHBondContact O-CA 3.45Å; L182-G186 PolarHBondContact O-N 3.11Å; F184-G186 VanDerWaalsContact C-N 3.32Å; F184-G186 PolarHBondContact O-N 3.42Å
187A93.4Very high94.8Very high79 Ų7955 Ų5565%0.65332%0.319SS*.Hα-helixtrans-86.1-37.9175.800000112.8S183 F184 F185S183-A187 PolarHBondContact O-N 3.02Å; F184-A187 PolarHBondContact O-N 3.01Å; F185-A187 VanDerWaalsContact C-N 3.33Å
188Q93.1Very high94.3Very high100 Ų10058.3 Ų58.347%0.46736%0.355SS..  trans-137.578.6-172.5-63.7-176.6-1600111.6F184 H190 S191F184-Q188 PolarHBondContact O-N 3.3Å; Q188-H190 VanDerWaalsContact C-N 3.27Å; Q188-H190 PolarHBondContact O-N 3.41Å; Q188-H190 VanDerWaalsContact O-N 3.17Å; Q188-S191 PolarHBondContact O-N 3.2Å
189P91.8Very high94.1Very high22 Ų2260.3 Ų60.314%0.14337%0.369CS..THydrogen-bonded Turntrans-60.7-29.8-172.8-24.332.9000115F185 N232 L237 F238F185-P189 WeakPolarHBondContact O-CA 3.42Å; F185-P189 WeakPolarHBondContact O-CG 3.41Å; P189-N232 WeakPolarHBondContact O-CB 3.32Å; P189-N232 PolarHBondContact O-ND2 2.94Å; P189-L237 HydrophobicContact CG-CD2 4.41Å; P189-F238 HydrophobicContact CB-CB 4.31Å
190H91.6Very high93.9Very high131 Ų13158.8 Ų58.861%0.60637%0.372SS*.THydrogen-bonded Turntrans-103.54.5-175.5-53.390.4000114Q188 E235Q188-H190 VanDerWaalsContact C-N 3.27Å; Q188-H190 PolarHBondContact O-N 3.41Å; Q188-H190 VanDerWaalsContact O-N 3.17Å; H190-E235 PolarHBondContact NE2-O 3.17Å
191S93.9Very high93.7Very high46 Ų4659.2 Ų59.232%0.32237%0.371SS..SBendtrans-86.2162.3179.2-66.20000111.6F185 Q188F185-S191 VanDerWaalsContact CE1-O 3.26Å; F185-S191 WeakPolarHBondContact CE1-O 3.38Å; Q188-S191 PolarHBondContact O-N 3.2Å
192V96.6Very high93.6Very high84 Ų8462.6 Ų62.651%0.50939%0.387SS..EExtended strand (participates in β ladder)trans-94.8121.8176.1-179.20000108.9F184 D229 V230F184-V192 WeakPolarHBondContact CZ-O 3.44Å; V192-D229 HydrophobicContact CG1-CB 3.96Å; V192-V230 WeakPolarHBondContact CA-O 3.26Å
193Y97Very high93.6Very high34 Ų3461.3 Ų61.313%0.13338%0.377CS..EExtended strand (participates in β ladder)trans-84.4120172175.4-99.3000109.3L181 F184 T195 D229 V230L181-Y193 HydrophobicContact CD2-CD1 3.6Å; L181-Y193 HydrophobicContact CD2-CE1 3.91Å; L181-Y193 HydrophobicContact CD2-CG 4.04Å; F184-Y193 HydrophobicContact CB-CD2 4Å; F184-Y193 HydrophobicContact CD1-CD2 4.11Å; F184-Y193 HydrophobicContact CD1-CG 4.32Å; F184-Y193 AromaticContact CD2-CD2 3.8Å; F184-Y193 HydrophobicContact CD2-CD2 3.8Å; F184-Y193 HydrophobicContact CE2-CD2 4.28Å; F184-Y193 AromaticContact CG-CD2 3.69Å; F184-Y193 HydrophobicContact CG-CD2 3.69Å; F184-Y193 HydrophobicContact CG-CG 4.35Å; Y193-T195 HydrophobicContact CD1-CG2 4.41Å; Y193-T195 HydrophobicContact CE1-CG2 3.67Å; Y193-D229 CarbonylContact O-C 3.51Å; Y193-D229 WeakPolarHBondContact O-CA 3.33Å; Y193-V230 HydrophobicContact CD1-CB 4.19Å; Y193-V230 HydrophobicContact CD1-CG2 4.06Å; Y193-V230 PolarHBondContact N-O 3.36Å; Y193-V230 PolarHBondContact O-N 2.9Å
194T96.4Very high93.5Very high69 Ų6960.9 Ų60.942%0.42337%0.369SS..EExtended strand (participates in β ladder)trans-116.2128.3-178.9-69.70000110.2Q227 D229T194-Q227 HydrophobicContact CG2-CG 3.55Å; T194-D229 WeakPolarHBondContact CB-OD1 3.43Å; T194-D229 WeakPolarHBondContact CG2-OD1 3.33Å; T194-D229 PolarHBondContact OG1-OD1 2.94Å
195T95.7Very high93.5Very high26 Ų2658.6 Ų58.616%0.1636%0.359CS..EExtended strand (participates in β ladder)trans-139.1148.6178.2-173.10000112.8Y193 L197 L206 T228Y193-T195 HydrophobicContact CD1-CG2 4.41Å; Y193-T195 HydrophobicContact CE1-CG2 3.67Å; T195-L197 HydrophobicContact CG2-CD1 4.34Å; T195-L197 HydrophobicContact CG2-CG 4.1Å; T195-L206 HydrophobicContact CG2-CD2 3.58Å; T195-T228 PolarHBondContact N-O 3.45Å; T195-T228 PolarHBondContact O-N 3.47Å
196N94.1Very high93.5Very high97 Ų9758.6 Ų58.652%0.51936%0.359SS..  trans-111.888178-71.8-29.7000109.6Q227N196-Q227 VanDerWaalsContact OD1-CA 3.26Å; N196-Q227 WeakPolarHBondContact OD1-CA 3.4Å; N196-Q227 WeakPolarHBondContact OD1-CB 3.34Å; N196-Q227 WeakPolarHBondContact OD1-CG 3.17Å
197L89.9Confident93.8Very high20 Ų2057.8 Ų57.811%0.10534%0.34CS..  trans-83.7120.1178.5-65.2174.8000110.4T195 S199 E202 R203 L206T195-L197 HydrophobicContact CG2-CD1 4.34Å; T195-L197 HydrophobicContact CG2-CG 4.1Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-E202 HydrophobicContact CD1-CB 4.25Å; L197-E202 HydrophobicContact CD2-CB 4.39Å; L197-R203 HydrophobicContact CB-CB 4.38Å; L197-R203 HydrophobicContact CD1-CB 4.19Å; L197-R203 PolarHBondContact O-NH2 2.99Å; L197-L206 HydrophobicContact CD1-CB 3.94Å; L197-L206 HydrophobicContact CD1-CD2 3.65Å; L197-L206 HydrophobicContact CD1-CG 4.43Å
198G86.5Confident93.9Very high80 Ų8054.1 Ų54.183%0.82531%0.309SS*.SBendtrans-70.3-30.5177.400000113
199S91.4Very high94.1Very high42 Ų4249.3 Ų49.329%0.29429%0.287SS..  trans-89.9127178.9178.40000111.6L197 F201 E202 R203L197-S199 VanDerWaalsContact C-N 3.33Å; S199-F201 PolarHBondContact O-N 2.71Å; S199-F201 PolarHBondContact OG-N 2.81Å; S199-E202 PolarHBondContact O-N 2.86Å; S199-E202 PolarHBondContact OG-N 3.23Å; S199-R203 PolarHBondContact O-N 2.78Å; S199-R203 VanDerWaalsContact O-N 3.08Å
200S91.9Very high94.3Very high91 Ų9148.3 Ų48.364%0.63628%0.28SS*.Hα-helixtrans-64.3-26.4170.757.90000112.2L204S200-L204 WeakPolarHBondContact O-CB 3.48Å; S200-L204 PolarHBondContact O-N 2.88Å
201F92.3Very high94.4Very high75 Ų7544.1 Ų44.133%0.32926%0.261SS..Hα-helixtrans-73.7-45.3176.9-178.4-107.9000111.6T163 P170 S199 R203 L204 L205T163-F201 HydrophobicContact CG2-CE2 4.3Å; P170-F201 HydrophobicContact CG-CE1 4.02Å; S199-F201 PolarHBondContact O-N 2.71Å; S199-F201 PolarHBondContact OG-N 2.81Å; F201-R203 PolarHBondContact O-N 2.84Å; F201-L204 HydrophobicContact CD2-CD2 4.44Å; F201-L204 VanDerWaalsContact O-CB 3.27Å; F201-L204 WeakPolarHBondContact O-CB 3.47Å; F201-L204 PolarHBondContact O-N 3.46Å; F201-L204 VanDerWaalsContact O-N 3.11Å; F201-L205 HydrophobicContact CD1-CD1 4.19Å; F201-L205 HydrophobicContact CE1-CD1 3.7Å; F201-L205 HydrophobicContact CE1-CG 4.18Å; F201-L205 HydrophobicContact CE2-CD2 4.45Å; F201-L205 HydrophobicContact CZ-CD1 4.13Å; F201-L205 HydrophobicContact CZ-CD2 4.12Å; F201-L205 HydrophobicContact CZ-CG 4.25Å; F201-L205 WeakPolarHBondContact O-CG 3.34Å; F201-L205 PolarHBondContact O-N 3.32Å
202E93.6Very high94.5Very high71 Ų7142 Ų4233%0.33225%0.246SC..Hα-helixtrans-60.3-39.4173.1-68.2170.417800111.1T173 L197 S199 L204 L205 L206T173-E202 HydrophobicContact CG2-CG 3.99Å; L197-E202 HydrophobicContact CD1-CB 4.25Å; L197-E202 HydrophobicContact CD2-CB 4.39Å; S199-E202 PolarHBondContact O-N 2.86Å; S199-E202 PolarHBondContact OG-N 3.23Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 3.33Å; E202-L205 PolarHBondContact O-N 2.72Å; E202-L206 PolarHBondContact O-N 3.47Å
203R95.4Very high94.3Very high42 Ų4238.1 Ų38.116%0.15822%0.222CC..Hα-helixtrans-62.1-39.7175.2-161.5-178.7-54129.910.1112.5L197 S199 F201 L206 H207 S219 R226 T228L197-R203 HydrophobicContact CB-CB 4.38Å; L197-R203 HydrophobicContact CD1-CB 4.19Å; L197-R203 PolarHBondContact O-NH2 2.99Å; S199-R203 PolarHBondContact O-N 2.78Å; S199-R203 VanDerWaalsContact O-N 3.08Å; F201-R203 PolarHBondContact O-N 2.84Å; R203-L206 PolarHBondContact O-N 2.82Å; R203-H207 PolarHBondContact O-CD2 2.91Å; R203-H207 PolarHBondContact O-N 2.88Å; R203-S219 WeakPolarHBondContact CD-OG 3.19Å; R203-R226 VanDerWaalsContact CZ-CB 3.41Å; R203-R226 VanDerWaalsContact CZ-CG 3.42Å; R203-T228 WeakPolarHBondContact CD-OG1 3.26Å; R203-T228 WeakPolarHBondContact CG-OG1 3.38Å
204L95Very high94.1Very high62 Ų6237.9 Ų37.933%0.32522%0.224SC..Hα-helixtrans-61.8-44.2173.7-171.779.8000111.3L160 T163 S200 F201 E202 H207 A208L160-L204 HydrophobicContact CD2-CD1 3.27Å; L160-L204 HydrophobicContact CD2-CD2 4.3Å; L160-L204 HydrophobicContact CD2-CG 3.46Å; L160-L204 VanDerWaalsContact CD2-CG 3.46Å; T163-L204 HydrophobicContact CG2-CD2 3.91Å; S200-L204 WeakPolarHBondContact O-CB 3.48Å; S200-L204 PolarHBondContact O-N 2.88Å; F201-L204 HydrophobicContact CD2-CD2 4.44Å; F201-L204 VanDerWaalsContact O-CB 3.27Å; F201-L204 WeakPolarHBondContact O-CB 3.47Å; F201-L204 PolarHBondContact O-N 3.46Å; F201-L204 VanDerWaalsContact O-N 3.11Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 3.33Å; L204-H207 PolarHBondContact O-N 3.44Å; L204-A208 PolarHBondContact O-N 3.16Å; L204-A208 VanDerWaalsContact O-N 3.16Å
205L95.2Very high94Very high2 Ų235 Ų351%0.0121%0.205CC..Hα-helixtrans-63.9-44.1177-64.7-177.1000111.2L164 I169 T173 L174 L177 F201 E202 H207 A208 V209L164-L205 HydrophobicContact CD2-CD2 3.96Å; I169-L205 HydrophobicContact CG2-CD2 4.39Å; T173-L205 HydrophobicContact CG2-CD1 4.16Å; L174-L205 HydrophobicContact CD1-CB 4.07Å; L174-L205 HydrophobicContact CD1-CD2 4.4Å; L177-L205 HydrophobicContact CD1-CB 3.86Å; F201-L205 HydrophobicContact CD1-CD1 4.19Å; F201-L205 HydrophobicContact CE1-CD1 3.7Å; F201-L205 HydrophobicContact CE1-CG 4.18Å; F201-L205 HydrophobicContact CE2-CD2 4.45Å; F201-L205 HydrophobicContact CZ-CD1 4.13Å; F201-L205 HydrophobicContact CZ-CD2 4.12Å; F201-L205 HydrophobicContact CZ-CG 4.25Å; F201-L205 WeakPolarHBondContact O-CG 3.34Å; F201-L205 PolarHBondContact O-N 3.32Å; E202-L205 PolarHBondContact O-N 2.72Å; L205-H207 VanDerWaalsContact C-N 3.31Å; L205-H207 PolarHBondContact O-N 3.32Å; L205-A208 WeakPolarHBondContact O-CA 3.48Å; L205-A208 WeakPolarHBondContact O-CB 3.35Å; L205-A208 PolarHBondContact O-N 2.75Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 2.86Å
206L96.8Very high94Very high1 Ų136.8 Ų36.81%0.00522%0.216CC..Hα-helixtrans-56.5-46.2175.9177.262.6000111.1L177 L181 T195 L197 E202 R203 A208 V209 C210 T228 V230L177-L206 HydrophobicContact CD1-CB 4.24Å; L177-L206 HydrophobicContact CD2-CB 4.44Å; L177-L206 HydrophobicContact CD2-CD1 4.35Å; L181-L206 HydrophobicContact CD1-CD1 3.78Å; L181-L206 HydrophobicContact CD2-CD1 4.31Å; L181-L206 HydrophobicContact CG-CD1 4.27Å; T195-L206 HydrophobicContact CG2-CD2 3.58Å; L197-L206 HydrophobicContact CD1-CB 3.94Å; L197-L206 HydrophobicContact CD1-CD2 3.65Å; L197-L206 HydrophobicContact CD1-CG 4.43Å; E202-L206 PolarHBondContact O-N 3.47Å; R203-L206 PolarHBondContact O-N 2.82Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.25Å; L206-V209 PolarHBondContact O-N 2.8Å; L206-C210 WeakPolarHBondContact O-CB 3.32Å; L206-C210 PolarHBondContact O-N 3.32Å; L206-C210 PolarHBondContact O-SG 2.87Å; L206-T228 HydrophobicContact CD2-CG2 3.67Å; L206-V230 HydrophobicContact CD2-CG2 4.38Å
207H97.4Very high94.1Very high40 Ų4033.5 Ų33.519%0.18520%0.201CC..Hα-helixtrans-59-38.5175.6-74.8-58000112.6L160 R203 L204 L205 C210 Q211 S217 S219L160-H207 HydrophobicContact CD1-CB 4.39Å; R203-H207 PolarHBondContact O-CD2 2.91Å; R203-H207 PolarHBondContact O-N 2.88Å; L204-H207 PolarHBondContact O-N 3.44Å; L205-H207 VanDerWaalsContact C-N 3.31Å; L205-H207 PolarHBondContact O-N 3.32Å; H207-C210 PolarHBondContact O-N 2.83Å; H207-Q211 WeakPolarHBondContact O-CG 3.29Å; H207-Q211 PolarHBondContact O-N 3.24Å; H207-Q211 VanDerWaalsContact O-N 3.08Å; H207-S217 WeakPolarHBondContact ND1-CB 3.41Å; H207-S217 PolarHBondContact ND1-OG 3.05Å; H207-S219 PolarHBondContact CE1-OG 3.47Å; H207-S219 VanDerWaalsContact CE1-OG 3.32Å; H207-S219 PolarHBondContact NE2-OG 2.71Å
208A96.1Very high94.5Very high1 Ų135.4 Ų35.41%0.00822%0.219CC..Hα-helixtrans-68.6-42.2177.200000112.5I156 L160 L164 L204 L205 L206 C210 Q211 Y212I156-A208 HydrophobicContact CG2-CB 4.18Å; L160-A208 HydrophobicContact CB-CB 4.27Å; L160-A208 HydrophobicContact CD1-CB 4.17Å; L160-A208 HydrophobicContact CD2-CB 4.49Å; L164-A208 HydrophobicContact CD1-CB 3.96Å; L204-A208 PolarHBondContact O-N 3.16Å; L204-A208 VanDerWaalsContact O-N 3.16Å; L205-A208 WeakPolarHBondContact O-CA 3.48Å; L205-A208 WeakPolarHBondContact O-CB 3.35Å; L205-A208 PolarHBondContact O-N 2.75Å; L206-A208 VanDerWaalsContact C-N 3.27Å; L206-A208 PolarHBondContact O-N 3.25Å; A208-C210 VanDerWaalsContact C-N 3.35Å; A208-Q211 PolarHBondContact O-N 3.47Å; A208-Y212 PolarHBondContact O-N 2.83Å
209V96.3Very high94.9Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-60.1-46.2173.7175.10000110.6L174 E178 L181 L205 L206 Q211 Y212 M213 L245L174-V209 HydrophobicContact CD1-CG2 3.36Å; L174-V209 HydrophobicContact CG-CG2 3.99Å; E178-V209 HydrophobicContact CB-CG1 4.49Å; E178-V209 HydrophobicContact CG-CB 4.44Å; E178-V209 HydrophobicContact CG-CG1 3.59Å; E178-V209 HydrophobicContact CG-CG2 3.91Å; L181-V209 HydrophobicContact CD1-CB 4.4Å; L181-V209 HydrophobicContact CD1-CG1 3.66Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 2.86Å; L206-V209 PolarHBondContact O-N 2.8Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 2.77Å; V209-Y212 WeakPolarHBondContact O-CB 3.19Å; V209-Y212 PolarHBondContact O-N 2.92Å; V209-Y212 VanDerWaalsContact O-N 3.15Å; V209-M213 HydrophobicContact CG1-CE 3.92Å; V209-M213 HydrophobicContact CG1-CG 4.23Å; V209-M213 HydrophobicContact CG1-SD 3.81Å; V209-M213 WeakPolarHBondContact O-CB 3.21Å; V209-M213 WeakPolarHBondContact O-CG 3.46Å; V209-M213 PolarHBondContact O-N 2.87Å; V209-L245 HydrophobicContact CG2-CD2 4.27Å
210C96.3Very high95Very high0 Ų033.3 Ų33.30%019%0.192CC..Hα-helixtrans-57.9-46.2178.1-67.60000111.5L206 H207 A208 Y212 M213 D214 L215 V230L206-C210 WeakPolarHBondContact O-CB 3.32Å; L206-C210 PolarHBondContact O-N 3.32Å; L206-C210 PolarHBondContact O-SG 2.87Å; H207-C210 PolarHBondContact O-N 2.83Å; A208-C210 VanDerWaalsContact C-N 3.35Å; C210-Y212 VanDerWaalsContact C-N 3.32Å; C210-Y212 PolarHBondContact O-N 2.99Å; C210-M213 CarbonylContact O-C 3.55Å; C210-M213 PolarHBondContact O-N 2.95Å; C210-D214 PolarHBondContact O-N 2.88Å; C210-D214 VanDerWaalsContact O-N 3.1Å; C210-L215 CarbonylContact C-O 3.58Å; C210-L215 HydrophobicContact CB-CB 4.03Å; C210-L215 WeakPolarHBondContact O-CA 2.87Å; C210-L215 PolarHBondContact O-N 3.12Å; C210-V230 HydrophobicContact CB-CG1 4.47Å; C210-V230 WeakPolarHBondContact SG-CG1 3.22Å
211Q95.3Very high95.1Very high44 Ų4434.7 Ų34.721%0.20619%0.193CC..Hα-helixtrans-64.3-36.4178-70.8175.42.800112.7I156 D157 H207 A208 V209 D214I156-Q211 VanDerWaalsContact CA-OE1 3.25Å; I156-Q211 HydrophobicContact CG1-CB 4.23Å; D157-Q211 PolarHBondContact OD2-NE2 3.13Å; H207-Q211 WeakPolarHBondContact O-CG 3.29Å; H207-Q211 PolarHBondContact O-N 3.24Å; H207-Q211 VanDerWaalsContact O-N 3.08Å; A208-Q211 PolarHBondContact O-N 3.47Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 2.77Å; Q211-D214 PolarHBondContact O-N 2.99Å
212Y94.8Very high94.8Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-64.7-45.6174.8-170-103000111.9F153 I156 A208 V209 C210 D214 P241 P243 L245F153-Y212 HydrophobicContact CB-CE2 4.28Å; I156-Y212 HydrophobicContact CD1-CD2 3.99Å; I156-Y212 HydrophobicContact CD1-CG 4.44Å; I156-Y212 HydrophobicContact CG1-CD2 4.45Å; A208-Y212 PolarHBondContact O-N 2.83Å; V209-Y212 WeakPolarHBondContact O-CB 3.19Å; V209-Y212 PolarHBondContact O-N 2.92Å; V209-Y212 VanDerWaalsContact O-N 3.15Å; C210-Y212 VanDerWaalsContact C-N 3.32Å; C210-Y212 PolarHBondContact O-N 2.99Å; Y212-D214 PolarHBondContact O-N 3.36Å; Y212-P241 HydrophobicContact CD1-CB 4.17Å; Y212-P241 HydrophobicContact CD1-CG 3.89Å; Y212-P241 HydrophobicContact CE1-CB 3.63Å; Y212-P241 HydrophobicContact CE1-CG 3.89Å; Y212-P241 VanDerWaalsContact O-CG 3.32Å; Y212-P241 WeakPolarHBondContact O-CG 3.24Å; Y212-P243 WeakPolarHBondContact CE1-O 3.39Å; Y212-P243 PolarHBondContact OH-O 3.3Å; Y212-L245 HydrophobicContact CD1-CB 3.72Å; Y212-L245 HydrophobicContact CD2-CB 4.35Å; Y212-L245 HydrophobicContact CD2-CD1 3.72Å; Y212-L245 HydrophobicContact CD2-CG 4.48Å; Y212-L245 HydrophobicContact CE1-CB 3.99Å; Y212-L245 HydrophobicContact CE2-CD1 3.93Å; Y212-L245 HydrophobicContact CG-CB 3.91Å; Y212-L245 HydrophobicContact CG-CD1 4.08Å; Y212-L245 HydrophobicContact CG-CD2 4.44Å; Y212-L245 HydrophobicContact CG-CG 4.35Å
213M93.4Very high94.3Very high3 Ų337.5 Ų37.52%0.01522%0.215CC..THydrogen-bonded Turntrans-79.67.8179.3-65.1-174.2171.600114.2E178 L181 V209 C210 L215 F238 M244E178-M213 HydrophobicContact CB-CE 3.8Å; E178-M213 HydrophobicContact CG-CE 3.75Å; L181-M213 HydrophobicContact CB-SD 4.2Å; L181-M213 HydrophobicContact CD1-SD 4.34Å; V209-M213 HydrophobicContact CG1-CE 3.92Å; V209-M213 HydrophobicContact CG1-CG 4.23Å; V209-M213 HydrophobicContact CG1-SD 3.81Å; V209-M213 WeakPolarHBondContact O-CB 3.21Å; V209-M213 WeakPolarHBondContact O-CG 3.46Å; V209-M213 PolarHBondContact O-N 2.87Å; C210-M213 CarbonylContact O-C 3.55Å; C210-M213 PolarHBondContact O-N 2.95Å; M213-L215 HydrophobicContact CB-CD1 4.04Å; M213-L215 HydrophobicContact CB-CG 4.05Å; M213-L215 PolarHBondContact O-N 3.38Å; M213-F238 HydrophobicContact SD-CZ 4.2Å; M213-M244 HydrophobicContact CE-CE 3.52Å
214D92.5Very high93.8Very high30 Ų3039.8 Ų39.816%0.1625%0.252CS..THydrogen-bonded Turntrans62.524.5-178.8-155.148.1000114.7R155 C210 Q211 Y212 K233 Q234R155-D214 IonicContact NH1-OD1 2.75Å; R155-D214 PolarHBondContact NH1-OD1 2.95Å; C210-D214 PolarHBondContact O-N 2.88Å; C210-D214 VanDerWaalsContact O-N 3.1Å; Q211-D214 PolarHBondContact O-N 2.99Å; Y212-D214 PolarHBondContact O-N 3.36Å; D214-K233 VanDerWaalsContact CG-NZ 3.31Å; D214-K233 WeakPolarHBondContact O-CE 3.43Å; D214-K233 WeakPolarHBondContact OD1-CE 3.17Å; D214-K233 IonicContact OD1-NZ 2.79Å; D214-K233 PolarHBondContact OD1-NZ 3.1Å; D214-K233 WeakPolarHBondContact OD2-CE 3.49Å; D214-K233 IonicContact OD2-NZ 3.01Å; D214-Q234 PolarHBondContact OD2-NE2 3.32Å
215L94.9Very high93.4Very high8 Ų839 Ų394%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-91.8153.1175.8-58.9172.7000111.5L181 F185 C210 M213 V230 N232 F238L181-L215 HydrophobicContact CB-CD1 4.44Å; L181-L215 HydrophobicContact CD1-CD1 4.19Å; L181-L215 HydrophobicContact CD2-CD1 4.47Å; F185-L215 HydrophobicContact CD2-CD1 3.83Å; F185-L215 HydrophobicContact CD2-CD2 4.21Å; F185-L215 HydrophobicContact CE2-CD1 3.71Å; F185-L215 HydrophobicContact CE2-CD2 4.15Å; F185-L215 HydrophobicContact CZ-CD2 4.35Å; C210-L215 CarbonylContact C-O 3.58Å; C210-L215 HydrophobicContact CB-CB 4.03Å; C210-L215 WeakPolarHBondContact O-CA 2.87Å; C210-L215 PolarHBondContact O-N 3.12Å; M213-L215 HydrophobicContact CB-CD1 4.04Å; M213-L215 HydrophobicContact CB-CG 4.05Å; M213-L215 PolarHBondContact O-N 3.38Å; L215-V230 HydrophobicContact CB-CG1 3.85Å; L215-V230 HydrophobicContact CD1-CG1 3.96Å; L215-V230 HydrophobicContact CG-CG1 4.45Å; L215-N232 HydrophobicContact CD2-CB 3.85Å; L215-F238 HydrophobicContact CD1-CE2 4.21Å; L215-F238 HydrophobicContact CD2-CD2 4.11Å; L215-F238 HydrophobicContact CD2-CE2 3.85Å; L215-F238 HydrophobicContact CG-CE2 4.19Å
216V95.2Very high93.2Very high63 Ų6343.1 Ų43.138%0.38227%0.269SS..EExtended strand (participates in β ladder)trans-98133.6173.6178.80000108.6V230 M231 K233V216-V230 CarbonylContact O-C 3.58Å; V216-V230 VanDerWaalsContact O-CA 3.29Å; V216-V230 WeakPolarHBondContact O-CA 3.2Å; V216-M231 HydrophobicContact CB-CG 3.75Å; V216-M231 HydrophobicContact CB-SD 4.45Å; V216-M231 HydrophobicContact CG1-CG 4.25Å; V216-M231 HydrophobicContact CG1-SD 4.44Å; V216-M231 PolarHBondContact N-O 2.87Å; V216-M231 PolarHBondContact O-N 3.05Å; V216-K233 HydrophobicContact CG2-CB 3.97Å; V216-K233 HydrophobicContact CG2-CD 3.93Å; V216-K233 HydrophobicContact CG2-CG 4.37Å
217S96.8Very high93.2Very high28 Ų2845 Ų4520%0.19628%0.278CS..EExtended strand (participates in β ladder)trans-131.8138.5-179.754.20000111.5H207 D229H207-S217 WeakPolarHBondContact ND1-CB 3.41Å; H207-S217 PolarHBondContact ND1-OG 3.05Å; S217-D229 CarbonylContact C-O 3.28Å; S217-D229 VanDerWaalsContact CA-O 3.3Å; S217-D229 WeakPolarHBondContact CA-O 3.49Å
218A96.8Very high93.2Very high60 Ų6043.1 Ų43.150%0.49627%0.269SS..EExtended strand (participates in β ladder)trans-137.9135.1-179.500000110T228 D229A218-T228 CarbonylContact O-C 3.58Å; A218-T228 WeakPolarHBondContact O-CA 3.41Å; A218-D229 PolarHBondContact N-O 2.89Å; A218-D229 PolarHBondContact O-N 3.27Å
219S95.6Very high93.2Very high28 Ų2845.2 Ų45.220%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-112.3128.6178.7-68.20000110.6R203 H207 R226 Q227 T228R203-S219 WeakPolarHBondContact CD-OG 3.19Å; H207-S219 PolarHBondContact CE1-OG 3.47Å; H207-S219 VanDerWaalsContact CE1-OG 3.32Å; H207-S219 PolarHBondContact NE2-OG 2.71Å; S219-R226 PolarHBondContact O-NE 2.76Å; S219-R226 PolarHBondContact O-NH2 3.05Å; S219-Q227 CarbonylContact C-O 3.57Å; S219-Q227 WeakPolarHBondContact CA-O 3.41Å; S219-T228 WeakPolarHBondContact OG-CG2 3.33Å; S219-T228 PolarHBondContact OG-OG1 3.3Å
220S94.4Very high93.3Very high51 Ų5145.2 Ų45.236%0.35728%0.281SS..EExtended strand (participates in β ladder)trans-129.9156.1-178.464.20000111.2R226 Q227S220-R226 CarbonylContact O-C 3.5Å; S220-R226 WeakPolarHBondContact O-CA 3.26Å; S220-R226 VanDerWaalsContact O-CD 3.29Å; S220-R226 WeakPolarHBondContact O-CD 3.43Å; S220-Q227 PolarHBondContact N-O 3.48Å; S220-Q227 PolarHBondContact O-N 3.24Å
221D93.1Very high93.3Very high120 Ų12049.7 Ų49.764%0.64230%0.303SS*.EExtended strand (participates in β ladder)trans-87.6118.9171.9-64.9-41.3000108.7R226D221-R226 WeakPolarHBondContact OD1-CD 3.49Å; D221-R226 IonicContact OD1-CZ 2.8Å; D221-R226 IonicContact OD1-NE 2.77Å; D221-R226 IonicContact OD1-NH1 3.68Å; D221-R226 PolarHBondContact OD1-NH1 3.12Å; D221-R226 IonicContact OD2-NH1 3.31Å; D221-R226 PolarHBondContact OD2-NH1 3.23Å
222C86.2Confident93.3Very high33 Ų3348.4 Ų48.422%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-128.5131.7173.475.40000109.6G224 A225 Q227C222-G224 PolarHBondContact O-N 3.48Å; C222-A225 CarbonylContact C-O 3.6Å; C222-A225 PolarHBondContact N-O 3.16Å; C222-A225 CarbonylContact O-C 3.54Å; C222-A225 PolarHBondContact O-N 3.03Å; C222-Q227 WeakPolarHBondContact SG-CB 3.12Å; C222-Q227 PolarHBondContact SG-OE1 2.81Å
223N83.6Confident92.9Very high172 Ų17253.8 Ų53.892%0.9232%0.32SS*.THydrogen-bonded Turntrans51.831.5176.6-57.3-29.8000115.1A225N223-A225 VanDerWaalsContact C-N 3.25Å; N223-A225 PolarHBondContact O-N 3.34Å
224G83.8Confident92.5Very high89 Ų8956.4 Ų56.492%0.91833%0.333SS*.THydrogen-bonded Turntrans77.92.3-178.400000115.2C222C222-G224 PolarHBondContact O-N 3.48Å
225A86.9Confident91.6Very high45 Ų4563.2 Ų63.237%0.37236%0.364SS..EExtended strand (participates in β ladder)trans-113.1148.5171.100000110.2C222 N223 Q227C222-A225 CarbonylContact C-O 3.6Å; C222-A225 PolarHBondContact N-O 3.16Å; C222-A225 CarbonylContact O-C 3.54Å; C222-A225 PolarHBondContact O-N 3.03Å; N223-A225 VanDerWaalsContact C-N 3.25Å; N223-A225 PolarHBondContact O-N 3.34Å; A225-Q227 PolarHBondContact O-N 3.35Å
226R91.9Very high90.8Very high89 Ų8964.9 Ų64.934%0.33638%0.383SS..EExtended strand (participates in β ladder)trans-84.9117.4173.1-165.783.7176-174.84.2109.2R203 S219 S220 D221R203-R226 VanDerWaalsContact CZ-CB 3.41Å; R203-R226 VanDerWaalsContact CZ-CG 3.42Å; S219-R226 PolarHBondContact O-NE 2.76Å; S219-R226 PolarHBondContact O-NH2 3.05Å; S220-R226 CarbonylContact O-C 3.5Å; S220-R226 WeakPolarHBondContact O-CA 3.26Å; S220-R226 VanDerWaalsContact O-CD 3.29Å; S220-R226 WeakPolarHBondContact O-CD 3.43Å; D221-R226 WeakPolarHBondContact OD1-CD 3.49Å; D221-R226 IonicContact OD1-CZ 2.8Å; D221-R226 IonicContact OD1-NE 2.77Å; D221-R226 IonicContact OD1-NH1 3.68Å; D221-R226 PolarHBondContact OD1-NH1 3.12Å; D221-R226 IonicContact OD2-NH1 3.31Å; D221-R226 PolarHBondContact OD2-NH1 3.23Å
227Q95.6Very high90.3Very high41 Ų4168.3 Ų68.319%0.19240%0.398CS..EExtended strand (participates in β ladder)trans-95.6146.8173.5-176.6175.2-59.700110T194 N196 S219 S220 C222 A225 D229T194-Q227 HydrophobicContact CG2-CG 3.55Å; N196-Q227 VanDerWaalsContact OD1-CA 3.26Å; N196-Q227 WeakPolarHBondContact OD1-CA 3.4Å; N196-Q227 WeakPolarHBondContact OD1-CB 3.34Å; N196-Q227 WeakPolarHBondContact OD1-CG 3.17Å; S219-Q227 CarbonylContact C-O 3.57Å; S219-Q227 WeakPolarHBondContact CA-O 3.41Å; S220-Q227 PolarHBondContact N-O 3.48Å; S220-Q227 PolarHBondContact O-N 3.24Å; C222-Q227 WeakPolarHBondContact SG-CB 3.12Å; C222-Q227 PolarHBondContact SG-OE1 2.81Å; A225-Q227 PolarHBondContact O-N 3.35Å; Q227-D229 PolarHBondContact NE2-OD1 2.85Å; Q227-D229 PolarHBondContact NE2-OD2 3.24Å
228T97.3Very high89.9Confident0 Ų068 Ų680%039%0.393CS..EExtended strand (participates in β ladder)trans-123.7121.7172.7-56.70000109.1T195 R203 L206 A218 S219 V230T195-T228 PolarHBondContact N-O 3.45Å; T195-T228 PolarHBondContact O-N 3.47Å; R203-T228 WeakPolarHBondContact CD-OG1 3.26Å; R203-T228 WeakPolarHBondContact CG-OG1 3.38Å; L206-T228 HydrophobicContact CD2-CG2 3.67Å; A218-T228 CarbonylContact O-C 3.58Å; A218-T228 WeakPolarHBondContact O-CA 3.41Å; S219-T228 WeakPolarHBondContact OG-CG2 3.33Å; S219-T228 PolarHBondContact OG-OG1 3.3Å; T228-V230 HydrophobicContact CG2-CG2 4.4Å
229D97.4Very high89.4Confident45 Ų4570 Ų7024%0.24139%0.392CS..EExtended strand (participates in β ladder)trans-103.8137.8175.6-60.3-33.4000109V192 Y193 T194 S217 A218 Q227V192-D229 HydrophobicContact CG1-CB 3.96Å; Y193-D229 CarbonylContact O-C 3.51Å; Y193-D229 WeakPolarHBondContact O-CA 3.33Å; T194-D229 WeakPolarHBondContact CB-OD1 3.43Å; T194-D229 WeakPolarHBondContact CG2-OD1 3.33Å; T194-D229 PolarHBondContact OG1-OD1 2.94Å; S217-D229 CarbonylContact C-O 3.28Å; S217-D229 VanDerWaalsContact CA-O 3.3Å; S217-D229 WeakPolarHBondContact CA-O 3.49Å; A218-D229 PolarHBondContact N-O 2.89Å; A218-D229 PolarHBondContact O-N 3.27Å; Q227-D229 PolarHBondContact NE2-OD1 2.85Å; Q227-D229 PolarHBondContact NE2-OD2 3.24Å
230V97.8Very high89Confident0 Ų071.3 Ų71.30%040%0.4CS..EExtended strand (participates in β ladder)trans-127.3135.4179.4-174.40000108.4L181 F185 V192 Y193 L206 C210 L215 V216 T228L181-V230 HydrophobicContact CD2-CB 4.3Å; L181-V230 HydrophobicContact CD2-CG1 4.09Å; L181-V230 HydrophobicContact CD2-CG2 4.34Å; F185-V230 HydrophobicContact CE2-CB 4.45Å; F185-V230 HydrophobicContact CE2-CG1 3.9Å; F185-V230 HydrophobicContact CZ-CB 4.42Å; F185-V230 HydrophobicContact CZ-CG1 4.05Å; V192-V230 WeakPolarHBondContact CA-O 3.26Å; Y193-V230 HydrophobicContact CD1-CB 4.19Å; Y193-V230 HydrophobicContact CD1-CG2 4.06Å; Y193-V230 PolarHBondContact N-O 3.36Å; Y193-V230 PolarHBondContact O-N 2.9Å; L206-V230 HydrophobicContact CD2-CG2 4.38Å; C210-V230 HydrophobicContact CB-CG1 4.47Å; C210-V230 WeakPolarHBondContact SG-CG1 3.22Å; L215-V230 HydrophobicContact CB-CG1 3.85Å; L215-V230 HydrophobicContact CD1-CG1 3.96Å; L215-V230 HydrophobicContact CG-CG1 4.45Å; V216-V230 CarbonylContact O-C 3.58Å; V216-V230 VanDerWaalsContact O-CA 3.29Å; V216-V230 WeakPolarHBondContact O-CA 3.2Å; T228-V230 HydrophobicContact CG2-CG2 4.4Å
231M96.4Very high88.7Confident95 Ų9569.3 Ų69.347%0.46839%0.386SS..EExtended strand (participates in β ladder)trans-134.8144.1-179.962.3-176.3-74.200110.4V216V216-M231 HydrophobicContact CB-CG 3.75Å; V216-M231 HydrophobicContact CB-SD 4.45Å; V216-M231 HydrophobicContact CG1-CG 4.25Å; V216-M231 HydrophobicContact CG1-SD 4.44Å; V216-M231 PolarHBondContact N-O 2.87Å; V216-M231 PolarHBondContact O-N 3.05Å
232N94.2Very high88.4Confident16 Ų1668.9 Ų68.99%0.08639%0.392CS..EExtended strand (participates in β ladder)trans-80.2123.4168.6-1746.8000109.1F185 P189 L215 Q234F185-N232 HydrophobicContact CD1-CB 3.98Å; F185-N232 HydrophobicContact CE1-CB 3.91Å; P189-N232 WeakPolarHBondContact O-CB 3.32Å; P189-N232 PolarHBondContact O-ND2 2.94Å; L215-N232 HydrophobicContact CD2-CB 3.85Å; N232-Q234 VanDerWaalsContact C-N 3.33Å; N232-Q234 VanDerWaalsContact OD1-CB 3.29Å; N232-Q234 WeakPolarHBondContact OD1-CB 3.44Å; N232-Q234 WeakPolarHBondContact OD1-CG 3.32Å; N232-Q234 PolarHBondContact OD1-N 3.31Å
233K88.1Confident88.7Confident113 Ų11369.6 Ų69.649%0.49140%0.397SS..  trans-84.4-11.7176.267.5-174.9-176.3-164.20112.9D214 V216D214-K233 VanDerWaalsContact CG-NZ 3.31Å; D214-K233 WeakPolarHBondContact O-CE 3.43Å; D214-K233 WeakPolarHBondContact OD1-CE 3.17Å; D214-K233 IonicContact OD1-NZ 2.79Å; D214-K233 PolarHBondContact OD1-NZ 3.1Å; D214-K233 WeakPolarHBondContact OD2-CE 3.49Å; D214-K233 IonicContact OD2-NZ 3.01Å; V216-K233 HydrophobicContact CG2-CB 3.97Å; V216-K233 HydrophobicContact CG2-CD 3.93Å; V216-K233 HydrophobicContact CG2-CG 4.37Å
234Q84.3Confident89.2Confident58 Ų5863.9 Ų63.927%0.27137%0.365SS..  trans-79.8132.1-179.8-56.9179.1-5.800109.1D214 N232 G236D214-Q234 PolarHBondContact OD2-NE2 3.32Å; N232-Q234 VanDerWaalsContact C-N 3.33Å; N232-Q234 VanDerWaalsContact OD1-CB 3.29Å; N232-Q234 WeakPolarHBondContact OD1-CB 3.44Å; N232-Q234 WeakPolarHBondContact OD1-CG 3.32Å; N232-Q234 PolarHBondContact OD1-N 3.31Å; Q234-G236 PolarHBondContact O-N 2.85Å
235E74.4Confident89.6Confident174 Ų17459.6 Ų59.681%0.81332%0.321SS*.SBendtrans-71.2-20.1177.3-63-176174.800112.2H190H190-E235 PolarHBondContact NE2-O 3.17Å
236G77.1Confident90Very high43 Ų4357.9 Ų57.944%0.44331%0.306SS..SBendtrans-89.3-166.7-179.400000115Q234Q234-G236 PolarHBondContact O-N 2.85Å
237L84.2Confident90Very high135 Ų13555 Ų5571%0.70730%0.302SS*.  trans-62.2143.1172.4-69166000110.4P189 Q239P189-L237 HydrophobicContact CG-CD2 4.41Å; L237-Q239 PolarHBondContact O-N 2.91Å
238F88.7Confident89.9Confident21 Ų2154.2 Ų54.29%0.09230%0.297CS..  trans-63.4124.3173.5174.1-114000110.4F185 P189 M213 L215 P240F185-F238 HydrophobicContact CB-CB 3.91Å; F185-F238 HydrophobicContact CB-CD1 3.57Å; F185-F238 HydrophobicContact CB-CD2 3.89Å; F185-F238 HydrophobicContact CB-CE1 4.01Å; F185-F238 HydrophobicContact CB-CE2 4.31Å; F185-F238 HydrophobicContact CB-CG 3.5Å; F185-F238 VanDerWaalsContact CB-CG 3.5Å; F185-F238 HydrophobicContact CB-CZ 4.35Å; F185-F238 HydrophobicContact CG-CD2 4.47Å; F185-F238 HydrophobicContact CG-CG 4.5Å; P189-F238 HydrophobicContact CB-CB 4.31Å; M213-F238 HydrophobicContact SD-CZ 4.2Å; L215-F238 HydrophobicContact CD1-CE2 4.21Å; L215-F238 HydrophobicContact CD2-CD2 4.11Å; L215-F238 HydrophobicContact CD2-CE2 3.85Å; L215-F238 HydrophobicContact CG-CE2 4.19Å; F238-P240 HydrophobicContact CE1-CB 3.82Å; F238-P240 HydrophobicContact CE1-CG 3.99Å; F238-P240 HydrophobicContact CZ-CB 3.84Å; F238-P240 HydrophobicContact CZ-CG 4.49Å
239Q86.7Confident89.6Confident102 Ų10254.8 Ų54.848%0.47730%0.3SS..  trans-120.699.5176.9-62.8-157.8-45.400110L237L237-Q239 PolarHBondContact O-N 2.91Å
240P86.6Confident89.1Confident55 Ų5557.3 Ų57.336%0.35731%0.31SS..  trans-70.2147.9178.428-32.6000111.1L182 F238L182-P240 HydrophobicContact CD1-CB 4.07Å; L182-P240 HydrophobicContact CD1-CG 3.94Å; L182-P240 HydrophobicContact CG-CG 4.42Å; F238-P240 HydrophobicContact CE1-CB 3.82Å; F238-P240 HydrophobicContact CE1-CG 3.99Å; F238-P240 HydrophobicContact CZ-CB 3.84Å; F238-P240 HydrophobicContact CZ-CG 4.49Å
241P88.9Confident88.5Confident10 Ų1064.9 Ų64.97%0.06535%0.346CS..  trans-60.9149.1170.6-19.931.3000112.3Y152 Y212 P243Y152-P241 HydrophobicContact CD1-CB 4.06Å; Y152-P241 HydrophobicContact CD1-CG 3.81Å; Y152-P241 HydrophobicContact CD2-CB 3.92Å; Y152-P241 HydrophobicContact CE1-CB 4.13Å; Y152-P241 HydrophobicContact CE1-CG 3.99Å; Y152-P241 HydrophobicContact CE2-CB 3.99Å; Y152-P241 HydrophobicContact CG-CB 3.94Å; Y152-P241 HydrophobicContact CG-CG 4.12Å; Y212-P241 HydrophobicContact CD1-CB 4.17Å; Y212-P241 HydrophobicContact CD1-CG 3.89Å; Y212-P241 HydrophobicContact CE1-CB 3.63Å; Y212-P241 HydrophobicContact CE1-CG 3.89Å; Y212-P241 VanDerWaalsContact O-CG 3.32Å; Y212-P241 WeakPolarHBondContact O-CG 3.24Å; P241-P243 CarbonylContact C-O 3.6Å
242S86.8Confident87.6Confident110 Ų11064.4 Ų64.477%0.76934%0.343SS*.SBendtrans-129.9117.4169.8173.30000108.3
243P91.4Very high86.1Confident49 Ų4970.4 Ų70.432%0.31839%0.387SS..SBendcis-73167.65.832.3-37.5000114.1A149 Y212 P241 A247A149-P243 HydrophobicContact CB-CG 3.63Å; Y212-P243 WeakPolarHBondContact CE1-O 3.39Å; Y212-P243 PolarHBondContact OH-O 3.3Å; P241-P243 CarbonylContact C-O 3.6Å; P243-A247 HydrophobicContact CB-CB 4.21Å
244M94.1Very high86Confident51 Ų5168.3 Ų68.325%0.25138%0.381SS..  trans-70.9163.3169.7-55.5-162.488.500110.9E178 L182 M213 S246 A247 Y248E178-M244 HydrophobicContact CB-CE 3.62Å; E178-M244 HydrophobicContact CG-CE 4.3Å; L182-M244 HydrophobicContact CD1-CE 3.62Å; M213-M244 HydrophobicContact CE-CE 3.52Å; M244-S246 PolarHBondContact O-N 3.25Å; M244-A247 PolarHBondContact O-N 2.86Å; M244-Y248 WeakPolarHBondContact O-CB 3.11Å; M244-Y248 PolarHBondContact O-N 3.36Å
245L93.9Very high86.1Confident0 Ų068.8 Ų68.80%039%0.387CS..Hα-helixtrans-64.9-40.3-178.6-177.460.2000111.5F153 I156 L164 L174 E178 V209 Y212 Y248 L249F153-L245 HydrophobicContact CD2-CD1 3.76Å; F153-L245 HydrophobicContact CE2-CD1 4.13Å; I156-L245 HydrophobicContact CD1-CD1 3.77Å; I156-L245 HydrophobicContact CD1-CD2 3.93Å; L164-L245 HydrophobicContact CD1-CD1 4.35Å; L164-L245 HydrophobicContact CD1-CD2 3.99Å; L174-L245 HydrophobicContact CD1-CD2 4.37Å; L174-L245 HydrophobicContact CD2-CB 4.31Å; L174-L245 HydrophobicContact CD2-CD2 4.06Å; L174-L245 HydrophobicContact CD2-CG 3.9Å; E178-L245 WeakPolarHBondContact OE1-CA 3.41Å; E178-L245 WeakPolarHBondContact OE1-CB 3.42Å; E178-L245 PolarHBondContact OE1-N 3.09Å; V209-L245 HydrophobicContact CG2-CD2 4.27Å; Y212-L245 HydrophobicContact CD1-CB 3.72Å; Y212-L245 HydrophobicContact CD2-CB 4.35Å; Y212-L245 HydrophobicContact CD2-CD1 3.72Å; Y212-L245 HydrophobicContact CD2-CG 4.48Å; Y212-L245 HydrophobicContact CE1-CB 3.99Å; Y212-L245 HydrophobicContact CE2-CD1 3.93Å; Y212-L245 HydrophobicContact CG-CB 3.91Å; Y212-L245 HydrophobicContact CG-CD1 4.08Å; Y212-L245 HydrophobicContact CG-CD2 4.44Å; Y212-L245 HydrophobicContact CG-CG 4.35Å; L245-Y248 HydrophobicContact CD1-CD1 4.37Å; L245-Y248 PolarHBondContact O-N 2.98Å; L245-L249 HydrophobicContact CD1-CD1 4.2Å; L245-L249 HydrophobicContact CD1-CG 4.14Å; L245-L249 HydrophobicContact CG-CD1 4.07Å; L245-L249 HydrophobicContact CG-CG 4.41Å; L245-L249 WeakPolarHBondContact O-CB 3.39Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.36Å
246S93.8Very high86.8Confident8 Ų863 Ų636%0.05636%0.364CS..Hα-helixtrans-53.4-59.4172.747.80000111.5E178 M244 Y248 L249 E250E178-S246 WeakPolarHBondContact OE2-CB 3.41Å; E178-S246 PolarHBondContact OE2-N 3.28Å; E178-S246 PolarHBondContact OE2-OG 3.3Å; M244-S246 PolarHBondContact O-N 3.25Å; S246-Y248 VanDerWaalsContact C-N 3.32Å; S246-Y248 PolarHBondContact O-N 2.94Å; S246-L249 PolarHBondContact O-N 2.89Å; S246-L249 VanDerWaalsContact O-N 3.12Å; S246-E250 PolarHBondContact O-N 3.44Å
247A92.8Very high87.4Confident29 Ų2964.2 Ų64.224%0.2436%0.359CS..Hα-helixtrans-56.7-44.7177.800000111.7P243 M244 L249 E250 H251P243-A247 HydrophobicContact CB-CB 4.21Å; M244-A247 PolarHBondContact O-N 2.86Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.47Å; A247-E250 PolarHBondContact O-N 2.85Å; A247-H251 PolarHBondContact O-N 3.04Å; A247-H251 PolarHBondContact O-ND1 3.26Å
248Y92.3Very high87.6Confident24 Ų2459.8 Ų59.89%0.09434%0.337CS..Hα-helixtrans-60.5-41.4178.1173.4-101.1000112.4A149 Q150 F153 M244 L245 S246 H251 M252A149-Y248 HydrophobicContact CB-CD2 3.31Å; A149-Y248 HydrophobicContact CB-CE2 3.7Å; A149-Y248 HydrophobicContact CB-CG 4.15Å; Q150-Y248 PolarHBondContact OE1-OH 3.27Å; F153-Y248 HydrophobicContact CB-CD1 4.24Å; F153-Y248 HydrophobicContact CB-CE1 3.53Å; F153-Y248 AromaticContact CD1-CE1 3.97Å; F153-Y248 HydrophobicContact CD1-CE1 3.97Å; F153-Y248 AromaticContact CD2-CD1 3.9Å; F153-Y248 HydrophobicContact CD2-CD1 3.9Å; F153-Y248 AromaticContact CD2-CE1 3.46Å; F153-Y248 HydrophobicContact CD2-CE1 3.46Å; F153-Y248 VanDerWaalsContact CD2-CE1 3.46Å; F153-Y248 HydrophobicContact CE2-CE1 4.12Å; F153-Y248 HydrophobicContact CG-CD1 4.19Å; F153-Y248 AromaticContact CG-CE1 3.37Å; F153-Y248 HydrophobicContact CG-CE1 3.37Å; M244-Y248 WeakPolarHBondContact O-CB 3.11Å; M244-Y248 PolarHBondContact O-N 3.36Å; L245-Y248 HydrophobicContact CD1-CD1 4.37Å; L245-Y248 PolarHBondContact O-N 2.98Å; S246-Y248 VanDerWaalsContact C-N 3.32Å; S246-Y248 PolarHBondContact O-N 2.94Å; Y248-H251 PolarHBondContact O-N 2.89Å; Y248-M252 HydrophobicContact CD1-SD 4Å; Y248-M252 HydrophobicContact CE1-CG 4.22Å; Y248-M252 HydrophobicContact CE1-SD 3.21Å; Y248-M252 WeakPolarHBondContact CE1-SD 3.46Å; Y248-M252 HydrophobicContact CE2-SD 4.37Å; Y248-M252 WeakPolarHBondContact O-CG 3.38Å; Y248-M252 PolarHBondContact O-N 3.39Å; Y248-M252 PolarHBondContact OH-SD 2.77Å
249L91Very high87.5Confident13 Ų1362.3 Ų62.37%0.06835%0.354CS..Hα-helixtrans-70-32.7178.4-70.9175.5000113.1F153 L164 L174 L245 S246 A247 H251 M252 S253F153-L249 HydrophobicContact CE2-CD2 3.83Å; F153-L249 HydrophobicContact CZ-CD2 4.34Å; L164-L249 HydrophobicContact CB-CD1 4.15Å; L164-L249 HydrophobicContact CB-CD2 4.2Å; L164-L249 HydrophobicContact CD1-CD1 4.42Å; L164-L249 HydrophobicContact CD2-CD1 3.95Å; L164-L249 HydrophobicContact CG-CD1 4.4Å; L174-L249 HydrophobicContact CD2-CD1 3.79Å; L245-L249 HydrophobicContact CD1-CD1 4.2Å; L245-L249 HydrophobicContact CD1-CG 4.14Å; L245-L249 HydrophobicContact CG-CD1 4.07Å; L245-L249 HydrophobicContact CG-CG 4.41Å; L245-L249 WeakPolarHBondContact O-CB 3.39Å; L245-L249 VanDerWaalsContact O-CG 3.26Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.36Å; S246-L249 PolarHBondContact O-N 2.89Å; S246-L249 VanDerWaalsContact O-N 3.12Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.47Å; L249-H251 VanDerWaalsContact C-N 3.28Å; L249-H251 PolarHBondContact O-N 3.22Å; L249-M252 HydrophobicContact CD2-SD 4.29Å; L249-M252 PolarHBondContact O-N 2.91Å; L249-M252 VanDerWaalsContact O-N 3.12Å; L249-S253 PolarHBondContact O-N 2.75Å
250E88.6Confident87.5Confident97 Ų9759.5 Ų59.545%0.45335%0.345SS..Hα-helixtrans-61.1-37.5173.5-72.3-173.7152.900112.3I171 S246 A247 M252 S253I171-E250 HydrophobicContact CD1-CG 3.89Å; I171-E250 HydrophobicContact CG1-CG 4.49Å; I171-E250 HydrophobicContact CG2-CG 4.2Å; S246-E250 PolarHBondContact O-N 3.44Å; A247-E250 PolarHBondContact O-N 2.85Å; E250-M252 PolarHBondContact O-N 3.37Å; E250-S253 PolarHBondContact O-N 2.84Å
251H84.2Confident87.6Confident160 Ų16059.8 Ų59.874%0.74134%0.344SS*.Hα-helixtrans-72.8-16.7176.7-67.476.7000113.2A247 Y248 L249A247-H251 PolarHBondContact O-N 3.04Å; A247-H251 PolarHBondContact O-ND1 3.26Å; Y248-H251 PolarHBondContact O-N 2.89Å; L249-H251 VanDerWaalsContact C-N 3.28Å; L249-H251 PolarHBondContact O-N 3.22Å
252M77.4Confident87.5Confident84 Ų8464 Ų6441%0.41437%0.367SS..Hα-helixtrans-92.9-15178.3-67.3-172.878.600113.9Y248 L249 E250Y248-M252 HydrophobicContact CD1-SD 4Å; Y248-M252 HydrophobicContact CE1-CG 4.22Å; Y248-M252 HydrophobicContact CE1-SD 3.21Å; Y248-M252 WeakPolarHBondContact CE1-SD 3.46Å; Y248-M252 HydrophobicContact CE2-SD 4.37Å; Y248-M252 WeakPolarHBondContact O-CG 3.38Å; Y248-M252 PolarHBondContact O-N 3.39Å; Y248-M252 PolarHBondContact OH-SD 2.77Å; L249-M252 HydrophobicContact CD2-SD 4.29Å; L249-M252 PolarHBondContact O-N 2.91Å; L249-M252 VanDerWaalsContact O-N 3.12Å; E250-M252 PolarHBondContact O-N 3.37Å
253S63.8Low87.6Confident143 Ų14359.8 Ų59.8100%133%0.33SS*.  trans-85.40-175.5-174.60000113.2L249 E250L249-S253 PolarHBondContact O-N 2.75Å; E250-S253 PolarHBondContact O-N 2.84Å

Retrieved 253 of 253 residues in 904.9 ms (Link to these results)