A0A077Z0H2_TRITR Loading...

Zinc finger, C2H2 type family protein

AlphaFold DB , UniProt , Accession A0A077Z0H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 261 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
1M39.7Very low36.9Very low230 Ų230153.2 Ų153.2100%1.13386%0.862SS**  0118.20-71.3166.1130.500107.6
2N41.6Very low36.9Very low167 Ų167156.2 Ų156.289%0.89386%0.864SS**  trans58.3119.2161.4-45.9-20.4000116.2
3G31.5Very low36.5Very low65 Ų65163.6 Ų163.667%0.6787%0.871SS**  cis120.9132.829.200000109
4H41.7Very low36.3Very low193 Ų193157.8 Ų157.889%0.89485%0.85SS**  trans100.684.7160.9-55.5-77.4000121.2
5A35.9Very low36.3Very low82 Ų82156.2 Ų156.268%0.67885%0.848SS**  42.4107.6109.800000123.5
6T36.8Very low36.3Very low140 Ų140155.1 Ų155.186%0.85983%0.833SS**  63.7154.7122.2500000125.3
7P37.4Very low36.4Very low120 Ų120151.9 Ų151.978%0.77983%0.825SS**  trans-103.8167.2-154.141-33.2000115.4
8T37.5Very low36.3Very low150 Ų150147.5 Ų147.592%0.9282%0.821SS**  trans-118.9116.4177430000112.9
9S36.5Very low36.4Very low118 Ų118143.1 Ų143.183%0.82580%0.8SS**  trans-111.8132.9168.8480000111.5
10R33.8Very low36.5Very low250 Ų250144.3 Ų144.394%0.94381%0.805SS**PPolyproline II helixtrans-74.4123.4-169.8-177179-75.6-157.9-4112.9
11L33.4Very low37.1Very low170 Ų170141.3 Ų141.389%0.8981%0.807SS**PPolyproline II helixtrans-83.5121.8179.1-100.9129.2000113.2
12Q36.9Very low37.5Very low189 Ų189135.4 Ų135.488%0.88378%0.775SS**PPolyproline II helixtrans-84.7135.8159.8-77.6-173.8-5800110.4
13R31.2Very low38.3Very low253 Ų253130.8 Ų130.896%0.95576%0.755SS**PPolyproline II helixtrans-79116.7-177.1-117.9172.6-83.5-141.2-4.7110.6
14S34.1Very low39.3Very low82 Ų82130 Ų13057%0.57374%0.736SS**PPolyproline II helixtrans-94.8132.2170.570.30000111.5K16S14-K16 PolarHBondContact O-N 3.06Å
15T36.6Very low39.9Very low134 Ų134125.6 Ų125.682%0.82272%0.718SS**  trans-85.796.6174.148.60000109.4
16K35.5Very low40.8Very low139 Ų139124.3 Ų124.360%0.60471%0.708SS**  trans-78113.5169.8-75.1-179174.4-175.50109.8S14 Y57S14-K16 PolarHBondContact O-N 3.06Å; K16-Y57 HydrophobicContact CD-CE1 4.09Å; K16-Y57 HydrophobicContact CG-CE1 3.69Å
17S38.3Very low41.6Very low100 Ų100119.2 Ų119.270%0.69968%0.675SS**  trans-110.5124.9166.257.70000108.9C19S17-C19 PolarHBondContact O-N 3.35Å
18G35.1Very low42.4Very low73 Ų73114.6 Ų114.675%0.75364%0.644SS**SBendtrans-7184.7-166.200000115.6
19C37.4Very low43.1Very low63 Ų63112.5 Ų112.543%0.42662%0.624SS.*  trans-133.359.2163.8-64.30000108.3S17 G21S17-C19 PolarHBondContact O-N 3.35Å; C19-G21 PolarHBondContact O-N 3.24Å
20D38.6Very low43.9Very low168 Ų168116.8 Ų116.890%0.89862%0.622SS**THydrogen-bonded Turntrans-68.2100.5178.8-62-44.7000108.9
21G48.6Very low44.5Very low82 Ų82108.1 Ų108.185%0.84559%0.591SS**THydrogen-bonded Turntrans122.2-2.3170.600000117.1C19C19-G21 PolarHBondContact O-N 3.24Å
22F48.7Very low45.3Very low106 Ų106104.3 Ų104.347%0.46558%0.575SS.*  trans-99.898.8-178.1-138.1-116.8000110.6I24 L27 I162F22-I24 PolarHBondContact O-N 2.94Å; F22-L27 HydrophobicContact CD1-CD1 3.46Å; F22-L27 VanDerWaalsContact CD1-CD1 3.46Å; F22-L27 HydrophobicContact CE1-CD1 3.03Å; F22-L27 HydrophobicContact CE1-CG 4.36Å; F22-L27 HydrophobicContact CG-CD1 4.46Å; F22-L27 HydrophobicContact CZ-CD1 3.7Å; F22-I162 HydrophobicContact CD1-CG1 4.48Å; F22-I162 HydrophobicContact CE1-CD1 3.74Å; F22-I162 HydrophobicContact CE1-CG1 3.73Å; F22-I162 HydrophobicContact CE1-CG2 4.5Å; F22-I162 HydrophobicContact CZ-CD1 3.81Å; F22-I162 HydrophobicContact CZ-CG1 4.29Å
23S58.5Low45.2Very low69 Ų6999.2 Ų99.248%0.48356%0.56SS.*  trans-73.4107.6171.7179.80000109.1D25 A26S23-D25 PolarHBondContact O-N 2.88Å; S23-A26 PolarHBondContact O-N 3.23Å
24I53.2Low45.5Very low50 Ų5092.6 Ų92.626%0.25655%0.55SS.*Hα-helixtrans-66.2-25.7178.9-48.4168.9000110.6F22 L27 L28 C165F22-I24 PolarHBondContact O-N 2.94Å; I24-L27 WeakPolarHBondContact O-CB 3.39Å; I24-L27 PolarHBondContact O-N 3.28Å; I24-L27 VanDerWaalsContact O-N 3.13Å; I24-L28 PolarHBondContact O-N 3.47Å; I24-C165 HydrophobicContact CD1-CB 4.04Å
25D53.1Low45.6Very low99 Ų9997.9 Ų97.953%0.52957%0.565SS.*Hα-helixtrans-66.5-39.4178.4-58.5-39000111.9S23 L27 L28 E29 Q169S23-D25 PolarHBondContact O-N 2.88Å; D25-L27 PolarHBondContact O-N 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.47Å; D25-L28 PolarHBondContact O-N 3.04Å; D25-E29 PolarHBondContact O-N 3.2Å; D25-E29 VanDerWaalsContact O-N 3.12Å; D25-Q169 PolarHBondContact OD1-NE2 3.4Å
26A55.3Low45.3Very low55 Ų5595.1 Ų95.146%0.45556%0.556SS.*Hα-helixtrans-64.2-23.6173.500000113.2S23S23-A26 PolarHBondContact O-N 3.23Å
27L53.9Low45.1Very low33 Ų3397.8 Ų97.817%0.17357%0.571CS.*Hα-helixtrans-88.1-30.3176.7-64.7166.3000112.1F22 I24 D25 E29 R30 F153F22-L27 HydrophobicContact CD1-CD1 3.46Å; F22-L27 VanDerWaalsContact CD1-CD1 3.46Å; F22-L27 HydrophobicContact CE1-CD1 3.03Å; F22-L27 HydrophobicContact CE1-CG 4.36Å; F22-L27 HydrophobicContact CG-CD1 4.46Å; F22-L27 HydrophobicContact CZ-CD1 3.7Å; I24-L27 WeakPolarHBondContact O-CB 3.39Å; I24-L27 PolarHBondContact O-N 3.28Å; I24-L27 VanDerWaalsContact O-N 3.13Å; D25-L27 PolarHBondContact O-N 3.45Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-R30 PolarHBondContact O-N 3.25Å; L27-F153 HydrophobicContact CB-CZ 4.44Å; L27-F153 HydrophobicContact CD1-CE1 4.33Å; L27-F153 HydrophobicContact CD1-CZ 4.48Å; L27-F153 HydrophobicContact CD2-CE1 4.02Å; L27-F153 HydrophobicContact CD2-CZ 4.27Å
28L53.5Low44.7Very low24 Ų2497.5 Ų97.513%0.12657%0.574CS.*Hα-helixtrans-64.2-38.5172.2-83.8163.8000111.3I24 D25 R30 F31 T32 F166 Q169I24-L28 PolarHBondContact O-N 3.47Å; D25-L28 WeakPolarHBondContact O-CB 3.47Å; D25-L28 PolarHBondContact O-N 3.04Å; L28-R30 PolarHBondContact O-N 3.3Å; L28-F31 CarbonylContact O-C 3.37Å; L28-F31 WeakPolarHBondContact O-CA 3.3Å; L28-F31 PolarHBondContact O-N 3.41Å; L28-T32 PolarHBondContact O-N 3.4Å; L28-T32 PolarHBondContact O-OG1 3.37Å; L28-F166 HydrophobicContact CD2-CD2 4.45Å; L28-F166 HydrophobicContact CD2-CE2 3.58Å; L28-F166 HydrophobicContact CD2-CZ 4.43Å; L28-F166 HydrophobicContact CG-CE2 4.32Å; L28-Q169 VanDerWaalsContact CD1-NE2 3.35Å
29E53.3Low44.4Very low105 Ų10599.8 Ų99.849%0.49158%0.576SS.*Hα-helixtrans-56.4-32.1175.7-72.9-170.6165.800113.1D25 L27 F31 S33 W48D25-E29 PolarHBondContact O-N 3.2Å; D25-E29 VanDerWaalsContact O-N 3.12Å; L27-E29 VanDerWaalsContact C-N 3.32Å; E29-F31 VanDerWaalsContact C-N 3.26Å; E29-F31 PolarHBondContact O-N 3.49Å; E29-S33 PolarHBondContact O-N 3.11Å; E29-W48 WeakPolarHBondContact OE1-CH2 3.45Å
30R53.7Low44.1Very low209 Ų209105.6 Ų105.679%0.78960%0.601SS**Hα-helixtrans-69.6-20.5174.1-72.8-176.9165.8-167.1-4.4113.8L27 L28L27-R30 PolarHBondContact O-N 3.25Å; L28-R30 PolarHBondContact O-N 3.3Å
31F46.6Very low43.7Very low67 Ų67101 Ų10129%0.29459%0.592SS.*Hα-helixtrans-105.4-19.2-179.6-78.7-84.5000113.8L28 E29 K148 F149 A152 F153L28-F31 CarbonylContact O-C 3.37Å; L28-F31 WeakPolarHBondContact O-CA 3.3Å; L28-F31 PolarHBondContact O-N 3.41Å; E29-F31 VanDerWaalsContact C-N 3.26Å; E29-F31 PolarHBondContact O-N 3.49Å; F31-K148 HydrophobicContact CE1-CB 3.95Å; F31-F149 HydrophobicContact CZ-CD2 4.43Å; F31-A152 HydrophobicContact CE2-CB 3.87Å; F31-A152 HydrophobicContact CZ-CB 3.52Å; F31-F153 AromaticContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CZ 4.23Å; F31-F153 HydrophobicContact CZ-CE2 4.27Å
32T48.3Very low43Very low90 Ų90102.7 Ų102.755%0.55259%0.592SS**Hα-helixtrans-100.8-9.9-177.854.40000114.2L28 P34L28-T32 PolarHBondContact O-N 3.4Å; L28-T32 PolarHBondContact O-OG1 3.37Å; T32-P34 WeakPolarHBondContact O-CD 3.49Å
33S36.2Very low42.1Very low83 Ų83104.3 Ų104.358%0.5861%0.605SS**  trans-70.1113.6176.9-156.70000111.5E29 H35E29-S33 PolarHBondContact O-N 3.11Å; S33-H35 PolarHBondContact O-N 3.42Å
34P37.5Very low40.9Very low114 Ų114106.8 Ų106.874%0.7462%0.62SS**  trans-9481.5-176.535-25.4000109.5T32 A36T32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-A36 PolarHBondContact O-N 3.05Å
35H35.4Very low39.9Very low192 Ų192110 Ų11089%0.88964%0.642SS**  trans-83.421.1169.5-110.1-62.9000113.7S33S33-H35 PolarHBondContact O-N 3.42Å
36A30.3Very low39.1Very low76 Ų76112.8 Ų112.863%0.62866%0.655SS**SBendtrans-128.5114176.800000110.6P34P34-A36 PolarHBondContact O-N 3.05Å
37Q31.2Very low37.9Very low196 Ų196115.4 Ų115.492%0.91667%0.668SS**  trans90.172.9167.9-52.5170.8100116.2
38A29.7Very low36.6Very low93 Ų93124 Ų12477%0.76970%0.698SS**  trans-114.2128.2149.600000108.5
39P30.3Very low35.9Very low121 Ų121128.6 Ų128.679%0.78673%0.729SS**  trans-69.6149.5164.530.8-29.1000109.1G41P39-G41 PolarHBondContact O-N 3.13Å
40I29.6Very low34.7Very low186 Ų186133 Ų13395%0.95475%0.747SS**SBendtrans-55.4122.1-175.4-57.6155.7000109.8
41G30.2Very low33.4Very low70 Ų70134.9 Ų134.972%0.72275%0.754SS**  trans116.174.716300000116.5P39P39-G41 PolarHBondContact O-N 3.13Å
42S34.1Very low32.7Very low119 Ų119137 Ų13783%0.83278%0.775SS**  trans-172.5125.8142.453.10000110.5
43N29.1Very low31.7Very low139 Ų139139.1 Ų139.174%0.74379%0.792SS**  trans-57.3127.1-179.5-177.85.3000113.7
44P35Very low31.4Very low122 Ų122142.8 Ų142.879%0.79280%0.803SS**  trans-99.3102.8171.834.5-23.9000110.5
45T32.2Very low31.1Very low117 Ų117141.7 Ų141.772%0.71880%0.798SS**  trans-117.288.7160.2-50.50000107.9
46I34.8Very low31.2Very low157 Ų157137.5 Ų137.581%0.80579%0.788SS**  trans-136115.4165.6-55.5179.7000108
47P30.6Very low31.3Very low111 Ų111140.4 Ų140.472%0.72178%0.784SS**PPolyproline II helixtrans-80.5141.3175.419.8-8.7000111.1
48W26.4Very low31.5Very low212 Ų212142.8 Ų142.880%0.80378%0.784SS**PPolyproline II helixtrans-53134.4174.2-63.367.1000111.5E29E29-W48 WeakPolarHBondContact OE1-CH2 3.45Å
49P39.3Very low31.8Very low122 Ų122143.4 Ų143.479%0.79278%0.779SS**PPolyproline II helixtrans-84.2121164.730.6-23.9000109.5
50F27.9Very low32.1Very low197 Ų197143.2 Ų143.286%0.86478%0.778SS**  trans-26.6131.2152.9-85-113.4000112.9
51W26Very low32.3Very low249 Ų249138.5 Ų138.594%0.94377%0.766SS**  trans-133.8130.9150.6-101.713.6000110.4
52P31.9Very low32.4Very low112 Ų112142.9 Ų142.973%0.72777%0.772SS**  trans-78.4145.1-17332.8-34.1000111.5I54P52-I54 PolarHBondContact O-N 3.24Å; P52-I54 VanDerWaalsContact O-N 3.15Å
53C27Very low32.3Very low133 Ų133145.4 Ų145.490%0.89977%0.773SS**  trans-55.3110.2171.4-68.70000111.9S55C53-S55 PolarHBondContact O-N 3.07Å
54I31.6Very low32.4Very low160 Ų160150.3 Ų150.382%0.82178%0.781SS**  trans-92.392.8161.6-57.8174.1000107.6P52P52-I54 PolarHBondContact O-N 3.24Å; P52-I54 VanDerWaalsContact O-N 3.15Å
55S31.3Very low32.3Very low92 Ų92153.8 Ų153.864%0.64378%0.784SS**  trans-78.8139.8167.1173.80000110.3C53 Y57C53-S55 PolarHBondContact O-N 3.07Å; S55-Y57 PolarHBondContact OG-N 3.45Å
56P36.7Very low32.2Very low104 Ų104156.3 Ų156.368%0.67579%0.788SS**  trans-132.775.6150.637.2-22000110.6
57Y31.7Very low32.2Very low136 Ų136154.4 Ų154.453%0.53379%0.786SS.*  trans-136.298.3157.8-70-68.3000111.3K16 S55K16-Y57 HydrophobicContact CD-CE1 4.09Å; K16-Y57 HydrophobicContact CG-CE1 3.69Å; S55-Y57 PolarHBondContact OG-N 3.45Å
58R36.6Very low32.3Very low246 Ų246157.4 Ų157.493%0.92879%0.792SS**  trans-119.5117.2154.9-167.8177.2-102.5-114.72.8107.1
59T34.6Very low32.7Very low106 Ų106152.5 Ų152.565%0.6579%0.788SS**  trans-65159.7172.1460000110.4
60P37Very low32.5Very low118 Ų118153.4 Ų153.477%0.76679%0.791SS**  -152.1156.687.335.3-14000117.4
61A33.7Very low32.8Very low86 Ų86149.8 Ų149.871%0.71179%0.785SS**  trans60.2114.9140.800000122.1
62L32.7Very low33.1Very low163 Ų163142 Ų14285%0.85377%0.766SS**  trans58.389.8137.5-61.3172000118.9
63M32Very low33.2Very low172 Ų172143.3 Ų143.385%0.84777%0.774SS**  trans-134.1112.4141.5-76.4-158.4174.500110.2F65M63-F65 PolarHBondContact O-N 3.34Å; M63-F65 VanDerWaalsContact O-N 3.16Å
64R32.5Very low33.4Very low242 Ų242141.5 Ų141.591%0.91376%0.763SS**  trans-58.8107169.8-73.8173.3168.7157.5-4.3108.7
65F31.6Very low33.5Very low194 Ų194138.1 Ų138.185%0.85176%0.759SS**  trans-85.5111.1164-88.2-86.6000108.5M63M63-F65 PolarHBondContact O-N 3.34Å; M63-F65 VanDerWaalsContact O-N 3.16Å
66Q30.8Very low33.8Very low170 Ų170143.8 Ų143.879%0.79477%0.773SS**PPolyproline II helixtrans-67.4141.4170.1-64.2-125.3-42.200109.7
67P33.7Very low33.8Very low118 Ų118146.1 Ų146.177%0.76678%0.779SS**PPolyproline II helixtrans-67.8133174.927.9-31.4000109.8
68M32.6Very low33.9Very low173 Ų173147.6 Ų147.685%0.85280%0.796SS**PPolyproline II helixtrans-63.2136.5169.9-69.7-71.5-17900109.4V70M68-V70 PolarHBondContact O-N 2.74Å
69P36Very low33.8Very low109 Ų109139.6 Ų139.671%0.70879%0.789SS**PPolyproline II helixtrans-69.1130.9179.727.6-31.7000110.2V71P69-V71 PolarHBondContact O-N 3.16Å
70V34.2Very low33.9Very low141 Ų141142.1 Ų142.186%0.85580%0.798SS**  trans-73.1104.7167.6-177.90000106.7M68M68-V70 PolarHBondContact O-N 2.74Å
71V34.7Very low34Very low122 Ų122141.9 Ų141.974%0.73980%0.797SS**  trans-78.2122.9176.6-173.70000108.6P69P69-V71 PolarHBondContact O-N 3.16Å
72P32.1Very low34Very low84 Ų84149 Ų14955%0.54581%0.805SS.*  trans-73.2152.9177.530.9-33.8000110.9S74P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.43Å
73P33.4Very low34.1Very low140 Ų140149.9 Ų149.991%0.90981%0.807SS**SBendtrans-7879.1178.732.7-32.4000109.9
74S31.5Very low34.4Very low95 Ų95149.7 Ų149.766%0.66481%0.808SS**  trans-159.270.4177.458.20000112.2P72P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.43Å
75A34.3Very low34.6Very low89 Ų89143.4 Ų143.474%0.73679%0.793SS**  trans178.67215900000111.4
76F36.8Very low34.8Very low212 Ų212140.7 Ų140.793%0.9380%0.795SS**  trans-13957157.6-92.5-79.6000108.6
77L37.1Very low35.1Very low153 Ų153136.8 Ų136.880%0.80179%0.787SS**SBendtrans-99.5129.2152.8-71.5170.5000105
78N34.3Very low35.5Very low167 Ų167138.1 Ų138.189%0.89379%0.786SS**SBendtrans90.189.9175.8-43.8-34.8000115.1
79G33.5Very low35.7Very low77 Ų77134.3 Ų134.379%0.79478%0.775SS**  trans160.634.4169.400000115.9
80L38.2Very low35.7Very low160 Ų160134.2 Ų134.284%0.83878%0.783SS**  trans-97125.9174.7-106.1146000109.5R82L80-R82 PolarHBondContact O-N 2.87Å
81P38.2Very low35.7Very low112 Ų112135.9 Ų135.973%0.72778%0.779SS**  trans-64.2117.2161.8-8.423.6000107.8M83P81-M83 PolarHBondContact O-N 3.39Å
82R32.9Very low35.8Very low237 Ų237135.7 Ų135.789%0.89478%0.78SS**  trans-61.7100.6173.2-81.6-179.8168.4-160.1-2.8109.7L80L80-R82 PolarHBondContact O-N 2.87Å
83M35Very low36.2Very low180 Ų180139.3 Ų139.389%0.88779%0.794SS**  trans-142.569.3160.9-72.9-68.1154.600108.6P81P81-M83 PolarHBondContact O-N 3.39Å
84L38.4Very low36.6Very low168 Ų168137.7 Ų137.788%0.8878%0.784SS**  trans-128.2110.4165.3-88.5163000108.3
85N36.5Very low36.9Very low111 Ų111138.3 Ų138.359%0.59479%0.786SS**  trans-53.4120.9174.9-177.3-2000110.6S87N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.28Å; N85-S87 VanDerWaalsContact O-N 3.16Å; N85-S87 PolarHBondContact OD1-OG 2.89Å
86P36.3Very low37.4Very low137 Ų137138.1 Ų138.189%0.8978%0.778SS**THydrogen-bonded Turntrans-80.719.8-173.693.1000115.8
87S38.5Very low38.1Very low88 Ų88133.5 Ų133.562%0.61577%0.767SS**THydrogen-bonded Turntrans-118.812.8-168.557.10000116.8N85N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.28Å; N85-S87 VanDerWaalsContact O-N 3.16Å; N85-S87 PolarHBondContact OD1-OG 2.89Å
88L40.6Very low38.4Very low145 Ų145131.1 Ų131.176%0.75975%0.753SS**SBendtrans-104.4126.6178.1-78.8161.6000112.1A90L88-A90 PolarHBondContact O-N 3.37Å
89P36.9Very low38.8Very low94 Ų94130.6 Ų130.661%0.6174%0.739SS**  trans-63.4133.7177.525.9-31.6000110.1F91P89-F91 HydrophobicContact CG-CE2 4.29Å; P89-F91 PolarHBondContact O-N 2.99Å
90A36.1Very low38.9Very low107 Ų107130.1 Ų130.188%0.88472%0.723SS**  trans-63.891.1177.500000110.4L88L88-A90 PolarHBondContact O-N 3.37Å
91F34.4Very low39.1Very low176 Ų176128.7 Ų128.777%0.77272%0.723SS**  trans-68.1135.2165.2-86.7-85.9000109.1P89 L93P89-F91 HydrophobicContact CG-CE2 4.29Å; P89-F91 PolarHBondContact O-N 2.99Å; F91-L93 PolarHBondContact O-N 3.18Å; F91-L93 VanDerWaalsContact O-N 3.07Å
92P36.1Very low38.9Very low118 Ų118132.3 Ų132.377%0.76673%0.728SS**  trans-65.8114-179.727.6-32.4000108.8
93L41.1Very low38.7Very low159 Ų159126.1 Ų126.183%0.83272%0.72SS**  trans-59.6128.6169.2-70.6167.2000108F91F91-L93 PolarHBondContact O-N 3.18Å; F91-L93 VanDerWaalsContact O-N 3.07Å
94P41.8Very low38.7Very low106 Ų106121.7 Ų121.769%0.68871%0.712SS**  trans-62.1140.2174.826.5-31.9000108.7C96P94-C96 PolarHBondContact O-N 2.84Å; P94-C96 VanDerWaalsContact O-N 3.09Å
95P38.8Very low38.6Very low109 Ų109119.7 Ų119.771%0.70871%0.707SS**  trans-70.1114.1-170.928.6-33.5000109.6T97P95-T97 HydrophobicContact CB-CG2 4.23Å; P95-T97 PolarHBondContact O-N 3.41Å
96C44.6Very low38.9Very low84 Ų84119.5 Ų119.557%0.56871%0.71SS**  trans-69.573167.5-90.30000110.1P94 M98P94-C96 PolarHBondContact O-N 2.84Å; P94-C96 VanDerWaalsContact O-N 3.09Å; C96-M98 VanDerWaalsContact C-N 3.28Å
97T50Low38.9Very low115 Ų115118.3 Ų118.371%0.70671%0.705SS**  trans-82.1-2.2173.248.30000113.4P95 W99P95-T97 HydrophobicContact CB-CG2 4.23Å; P95-T97 PolarHBondContact O-N 3.41Å; T97-W99 VanDerWaalsContact C-N 3.33Å; T97-W99 PolarHBondContact O-N 3.48Å
98M45Very low38.7Very low104 Ų104117.3 Ų117.351%0.51271%0.709SS.*THydrogen-bonded Turntrans-90.616.1-171.8-62.9-141.7-72.100115.4C96 M225C96-M98 VanDerWaalsContact C-N 3.28Å; M98-M225 HydrophobicContact CE-CE 3.22Å; M98-M225 HydrophobicContact SD-CE 4.35Å
99W41.7Very low38.4Very low155 Ų155117.7 Ų117.759%0.58771%0.706SS**THydrogen-bonded Turntrans-107.610.4-173.5-72.852.9000113.7T97 P101 F231T97-W99 VanDerWaalsContact C-N 3.33Å; T97-W99 PolarHBondContact O-N 3.48Å; W99-P101 WeakPolarHBondContact O-CD 3.5Å; W99-F231 AromaticContact CH2-CD1 3.3Å; W99-F231 HydrophobicContact CH2-CD1 3.3Å; W99-F231 AromaticContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CG 4.44Å; W99-F231 HydrophobicContact CH2-CZ 4.41Å; W99-F231 AromaticContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CE1 4.08Å; W99-F231 HydrophobicContact CZ2-CG 4.48Å; W99-F231 HydrophobicContact CZ3-CD1 4.33Å; W99-F231 AromaticContact CZ3-CE1 3.93Å; W99-F231 HydrophobicContact CZ3-CE1 3.93Å
100S36.3Very low38.4Very low67 Ų67120.8 Ų120.847%0.46971%0.713SS.*  trans-84.1120.9171.5-165.40000110.1F102S100-F102 PolarHBondContact O-N 3.34Å
101P41.1Very low38.4Very low130 Ų130124.6 Ų124.684%0.84471%0.71SS**THydrogen-bonded Turntrans-68.44.3175.9-13.228.3000113.8W99W99-P101 WeakPolarHBondContact O-CD 3.5Å
102F34.8Very low38.6Very low189 Ų189120.7 Ų120.783%0.82970%0.7SS**THydrogen-bonded Turntrans-136.2-4-163.8-112.2-98.8000116.2S100S100-F102 PolarHBondContact O-N 3.34Å
103C28.9Very low39Very low107 Ų107119.8 Ų119.872%0.72369%0.693SS**  trans-126.973-179.6-75.50000112.1
104A34.9Very low39.3Very low87 Ų87119.9 Ų119.972%0.71969%0.686SS**  trans-147.357.6156.500000108T106A104-T106 PolarHBondContact O-N 3.49Å
105T35.7Very low38.8Very low125 Ų125121.9 Ų121.977%0.76769%0.686SS**  trans-56.7100.8150.9-36.80000104.7S107T105-S107 PolarHBondContact O-N 3.27Å
106T42.5Very low38.7Very low108 Ų108119.9 Ų119.966%0.66368%0.679SS**  trans-68.972.8168.350.50000107.9A104 G108A104-T106 PolarHBondContact O-N 3.49Å; T106-G108 PolarHBondContact O-N 2.88Å
107S36.9Very low38.4Very low111 Ų111119.4 Ų119.478%0.77668%0.681SS**THydrogen-bonded Turntrans-63.784.3151.956.20000106.2T105T105-S107 PolarHBondContact O-N 3.27Å
108G34.5Very low37.9Very low68 Ų68120 Ų12070%0.70168%0.68SS**THydrogen-bonded Turntrans175-23.6-17800000118T106T106-G108 PolarHBondContact O-N 2.88Å
109Q34.5Very low37.6Very low152 Ų152123.1 Ų123.171%0.7169%0.693SS**  trans-139.435.9177.1-71.6-148.5-25.700114.5K111Q109-K111 VanDerWaalsContact C-N 3.28Å; Q109-K111 PolarHBondContact O-N 2.89Å
110E36.8Very low37.5Very low159 Ų159121.4 Ų121.474%0.74370%0.7SS**THydrogen-bonded Turntrans-82.96.7175.4-109.5-176.9149.800114.8
111K37Very low38Very low188 Ų188122.2 Ų122.282%0.81771%0.705SS**THydrogen-bonded Turntrans-119.57.5-170.4-82.2-173.9177.5-178.60118.5Q109Q109-K111 VanDerWaalsContact C-N 3.28Å; Q109-K111 PolarHBondContact O-N 2.89Å
112T38Very low38.1Very low94 Ų94125.8 Ų125.858%0.57771%0.707SS**SBendtrans-138.43.7178.855.80000117.4A116T112-A116 WeakPolarHBondContact O-CB 3.47Å
113T45Very low38.6Very low99 Ų99120.1 Ų120.161%0.60769%0.691SS**SBendtrans-108.3-14177.955.80000115.4A117T113-A117 PolarHBondContact O-N 3.31Å
114K45.8Very low39.8Very low161 Ų161122.7 Ų122.770%0.770%0.696SS**Hα-helixtrans-72.9-34.5168.6-78.8177.4174.91670111.5
115E32.9Very low40.9Very low147 Ų147122.5 Ų122.569%0.68769%0.686SS**Hα-helixtrans-84.5-26.9179.9-65174.8153.400112.9D118 H119E115-D118 PolarHBondContact O-N 3.02Å; E115-H119 PolarHBondContact O-N 3.18Å
116A35.7Very low42.3Very low67 Ų67121.7 Ų121.755%0.55468%0.681SS**Hα-helixtrans-79.3-17.6175.700000114.1T112T112-A116 WeakPolarHBondContact O-CB 3.47Å
117A39.2Very low43.8Very low74 Ų74123 Ų12361%0.61268%0.677SS**Hα-helixtrans-82.5-21171.200000112.6T113T113-A117 PolarHBondContact O-N 3.31Å
118D39.2Very low46Very low129 Ų129125 Ų12569%0.6967%0.672SS**Hα-helixtrans-94.7-10.3-178-74.9-24.5000113.6E115E115-D118 PolarHBondContact O-N 3.02Å
119H39.3Very low48.2Very low169 Ų169125.2 Ų125.278%0.78265%0.652SS**SBendtrans-101.73.7-178.7-146.1-72.2000115.3E115E115-H119 PolarHBondContact O-N 3.18Å
120V39.3Very low50.6Low119 Ų119125.3 Ų125.372%0.72165%0.65SS**SBendtrans-128.675.5173.8-176.30000109.4
121S45.9Very low52.9Low84 Ų84117.9 Ų117.959%0.58762%0.616SS**  trans135.557.8162.5-61.10000113.6S123S121-S123 WeakPolarHBondContact CB-OG 3.38Å; S121-S123 PolarHBondContact O-N 3.44Å
122K42.7Very low55.1Low204 Ų204114.4 Ų114.489%0.88761%0.606SS**  trans-72.121.4136.1-80.4-178.7-176.9171.20111.5I124K122-I124 PolarHBondContact O-N 2.86Å
123S46.4Very low57.2Low71 Ų71115.3 Ų115.350%0.49761%0.612SS.*SBendtrans-57.3122.7156.2610000105.6S121 T125S121-S123 WeakPolarHBondContact CB-OG 3.38Å; S121-S123 PolarHBondContact O-N 3.44Å; S123-T125 WeakPolarHBondContact O-CG2 3.05Å; S123-T125 PolarHBondContact O-N 2.73Å
124I53.5Low59.3Low161 Ų161112.7 Ų112.783%0.82660%0.597SS**  trans-50.290.2178.8-61.7160.8000108.4K122 V126K122-I124 PolarHBondContact O-N 2.86Å; I124-V126 VanDerWaalsContact C-N 3.28Å; I124-V126 HydrophobicContact CG2-CG2 4.28Å; I124-V126 PolarHBondContact O-N 3.37Å
125T58.9Low61.1Low82 Ų82113 Ų11350%0.50360%0.601SS.*  trans-79.492.5176.157.70000104.7S123 K127S123-T125 WeakPolarHBondContact O-CG2 3.05Å; S123-T125 PolarHBondContact O-N 2.73Å; T125-K127 PolarHBondContact O-N 3.3Å
126V64.4Low63.7Low109 Ų109111.8 Ų111.866%0.66159%0.593SS**  trans-50.3115.6172.2-179.80000106.7I124 K128I124-V126 VanDerWaalsContact C-N 3.28Å; I124-V126 HydrophobicContact CG2-CG2 4.28Å; I124-V126 PolarHBondContact O-N 3.37Å; V126-K128 PolarHBondContact O-N 3.17Å
127K74.6Confident66.1Low134 Ų134110.2 Ų110.258%0.58358%0.58SS**  trans-71.277.2175.6-66-179.8175.9-179.10108.1T125 Y129 A137 F138T125-K127 PolarHBondContact O-N 3.3Å; K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.47Å; K127-A137 HydrophobicContact CB-CB 3.57Å; K127-A137 HydrophobicContact CD-CB 3.83Å; K127-A137 WeakPolarHBondContact CD-O 3.44Å; K127-A137 HydrophobicContact CG-CB 4.32Å; K127-F138 CarbonylContact C-O 3.34Å; K127-F138 WeakPolarHBondContact CA-O 3.27Å
128K82.2Confident68.3Low155 Ų155108.6 Ų108.667%0.67456%0.559SS**  trans-66.3-29.6-172.1-176.9177-180178.60112.6V126 F138V126-K128 PolarHBondContact O-N 3.17Å; K128-F138 PolarHBondContact N-O 3.07Å
129Y81.6Confident70.4Confident72 Ų72105 Ų10528%0.28254%0.544SS..EExtended strand (participates in β ladder)trans-106.8113.1-170-59.4-82.2000110.5K127 A137 F138 S141K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.47Å; Y129-A137 CarbonylContact O-C 3.55Å; Y129-A137 WeakPolarHBondContact O-CA 3.24Å; Y129-F138 PolarHBondContact N-O 3.28Å; Y129-F138 VanDerWaalsContact N-O 3.13Å; Y129-F138 PolarHBondContact O-N 3.17Å; Y129-S141 VanDerWaalsContact CD2-N 3.33Å
130K83.5Confident72.3Confident153 Ų153101 Ų10167%0.66552%0.522SS*.EExtended strand (participates in β ladder)trans-102.5143179-63.3-177.4179.8-177.70111A137 L144K130-A137 HydrophobicContact CG-CB 4.09Å; K130-L144 WeakPolarHBondContact O-CD2 3.44Å
131C85.3Confident74.4Confident3 Ų397.2 Ų97.22%0.0250%0.501CS..  trans-78.4130.7168.1-175.60000109.8V133 E135 K136 F138 L144 L151C131-V133 VanDerWaalsContact C-N 3.35Å; C131-V133 PolarHBondContact SG-N 2.72Å; C131-V133 VanDerWaalsContact SG-N 3.4Å; C131-E135 WeakPolarHBondContact O-CA 3.49Å; C131-E135 PolarHBondContact O-N 3.33Å; C131-K136 PolarHBondContact N-O 3.02Å; C131-F138 HydrophobicContact CB-CE2 4.3Å; C131-L144 HydrophobicContact CB-CD1 3.71Å; C131-L151 VanDerWaalsContact SG-CD1 3.59Å
132D84.2Confident76.1Confident115 Ų11593.9 Ų93.962%0.61548%0.476SS*.THydrogen-bonded Turntrans-67.9-27.217343.6-8.9000114K148D132-K148 WeakPolarHBondContact OD1-CE 3.35Å; D132-K148 IonicContact OD1-NZ 3.37Å; D132-K148 PolarHBondContact OD1-NZ 3.4Å; D132-K148 IonicContact OD2-NZ 2.93Å; D132-K148 PolarHBondContact OD2-NZ 3.34Å
133V82.4Confident78.1Confident114 Ų11486.7 Ų86.769%0.69145%0.45SS*.THydrogen-bonded Turntrans-90.6-38.7-175.5-179.50000113.1C131 L151C131-V133 VanDerWaalsContact C-N 3.35Å; C131-V133 PolarHBondContact SG-N 2.72Å; C131-V133 VanDerWaalsContact SG-N 3.4Å; V133-L151 HydrophobicContact CB-CD1 4.14Å; V133-L151 HydrophobicContact CG1-CD1 4.39Å
134C87.8Confident80Confident44 Ų4484.3 Ų84.330%0.29743%0.431SS..THydrogen-bonded Turntrans-129.69.9-174.875.20000114.2K136 H147 L151C134-K136 PolarHBondContact O-N 3.46Å; C134-K136 VanDerWaalsContact SG-CG 3.51Å; C134-H147 VanDerWaalsContact SG-CE1 3.55Å; C134-H147 PolarHBondContact SG-NE2 3.09Å; C134-L151 HydrophobicContact CB-CD1 4.45Å
135E83.6Confident81.5Confident167 Ų16779 Ų7978%0.7840%0.404SS*.  trans612.6176-55.6-172.4165.300116.1C131 A137C131-E135 WeakPolarHBondContact O-CA 3.49Å; C131-E135 PolarHBondContact O-N 3.33Å; E135-A137 PolarHBondContact O-N 3.44Å
136K87.9Confident82.7Confident122 Ų12277.1 Ų77.153%0.5339%0.393SS..  trans-60.9129.9176.5-71.2180-172.1179.60110.6C131 C134 F138C131-K136 PolarHBondContact N-O 3.02Å; C134-K136 PolarHBondContact O-N 3.46Å; C134-K136 VanDerWaalsContact SG-CG 3.51Å; K136-F138 HydrophobicContact CB-CE2 3.82Å; K136-F138 HydrophobicContact CB-CZ 4Å; K136-F138 WeakPolarHBondContact O-CD2 3.19Å; K136-F138 VanDerWaalsContact O-CE2 3.26Å; K136-F138 WeakPolarHBondContact O-CE2 3.34Å
137A86.1Confident83.7Confident33 Ų3373.3 Ų73.327%0.27337%0.368SS..EExtended strand (participates in β ladder)trans-99.8137.5-179.700000111.4K127 Y129 K130 E135K127-A137 HydrophobicContact CB-CB 3.57Å; K127-A137 HydrophobicContact CD-CB 3.83Å; K127-A137 WeakPolarHBondContact CD-O 3.44Å; K127-A137 HydrophobicContact CG-CB 4.32Å; Y129-A137 CarbonylContact O-C 3.55Å; Y129-A137 WeakPolarHBondContact O-CA 3.24Å; K130-A137 HydrophobicContact CG-CB 4.09Å; E135-A137 PolarHBondContact O-N 3.44Å
138F86.3Confident84.2Confident41 Ų4169.6 Ų69.618%0.1835%0.352CS..EExtended strand (participates in β ladder)trans-123.5146.9-175.2-62-88.4000110.1K127 K128 Y129 C131 K136 R140 L144 H147K127-F138 CarbonylContact C-O 3.34Å; K127-F138 WeakPolarHBondContact CA-O 3.27Å; K128-F138 PolarHBondContact N-O 3.07Å; Y129-F138 PolarHBondContact N-O 3.28Å; Y129-F138 VanDerWaalsContact N-O 3.13Å; Y129-F138 PolarHBondContact O-N 3.17Å; C131-F138 HydrophobicContact CB-CE2 4.3Å; K136-F138 HydrophobicContact CB-CE2 3.82Å; K136-F138 HydrophobicContact CB-CZ 4Å; K136-F138 WeakPolarHBondContact O-CD2 3.19Å; K136-F138 VanDerWaalsContact O-CE2 3.26Å; K136-F138 WeakPolarHBondContact O-CE2 3.34Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-L144 HydrophobicContact CB-CB 4.32Å; F138-L144 HydrophobicContact CD2-CB 3.94Å; F138-L144 HydrophobicContact CD2-CD1 3.76Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.89Å; F138-L144 HydrophobicContact CG-CB 4.22Å; F138-H147 HydrophobicContact CE1-CB 3.92Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.38Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.42Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.94Å; F138-H147 HydrophobicContact CZ-CB 3.47Å; F138-H147 VanDerWaalsContact CZ-CB 3.47Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.2Å; F138-H147 AromaticContact CZ-CG 3.21Å; F138-H147 AromaticContact CZ-ND1 3.68Å; F138-H147 AromaticContact CZ-NE2 3.84Å
139S82.4Confident84.3Confident52 Ų5262.9 Ų62.936%0.36432%0.323SS..SBendtrans-73-23.6175.653.40000112.8
140R80.1Confident84.4Confident85 Ų8562 Ų6232%0.32133%0.326SS..SBendtrans-133.6152-176-61.2-176.4174.4107.55.6113.1F138 T143 L144 D181 R197F138-R140 VanDerWaalsContact C-N 3.31Å; R140-T143 PolarHBondContact N-OG1 3.2Å; R140-T143 PolarHBondContact O-N 2.97Å; R140-T143 PolarHBondContact O-OG1 3.24Å; R140-L144 PolarHBondContact O-N 3.14Å; R140-D181 VanDerWaalsContact CD-OD2 3.26Å; R140-D181 WeakPolarHBondContact CD-OD2 3.23Å; R140-D181 IonicContact NE-OD2 2.75Å; R140-D181 PolarHBondContact NE-OD2 3.36Å; R140-R197 VanDerWaalsContact NH1-CZ 3.29Å; R140-R197 VanDerWaalsContact NH1-NH1 3.1Å; R140-R197 VanDerWaalsContact NH2-NH2 3.14Å
141S82.3Confident84.5Confident41 Ų4157.4 Ų57.429%0.28731%0.309SS..Hα-helixtrans-62.9-42.2176.656.70000112Y129 T143 L144 L145Y129-S141 VanDerWaalsContact CD2-N 3.33Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 2.87Å; S141-L144 WeakPolarHBondContact O-CB 3.38Å; S141-L144 PolarHBondContact O-N 3.16Å; S141-L145 PolarHBondContact O-N 3.25Å
142N81.6Confident84.3Confident13 Ų1359.8 Ų59.87%0.0733%0.329CS..Hα-helixtrans-62.9-38.1-178.9-59.8-47.4000113L145 T146 P177 F178 K179 L193N142-L145 PolarHBondContact O-N 3.33Å; N142-T146 PolarHBondContact O-N 3.22Å; N142-T146 PolarHBondContact O-OG1 3.43Å; N142-P177 PolarHBondContact OD1-O 3.35Å; N142-F178 HydrophobicContact CB-CD1 4.02Å; N142-F178 VanDerWaalsContact OD1-CA 3.26Å; N142-F178 WeakPolarHBondContact OD1-CA 3.47Å; N142-K179 PolarHBondContact ND2-O 2.89Å; N142-K179 PolarHBondContact OD1-N 3Å; N142-K179 VanDerWaalsContact OD1-N 3.07Å; N142-L193 HydrophobicContact CB-CD2 3.93Å; N142-L193 WeakPolarHBondContact ND2-CD2 3.36Å
143T84.9Confident84.2Confident53 Ų5355 Ų5533%0.32530%0.303SS..Hα-helixtrans-69.1-37.4176.742.60000111.6R140 S141 L145 T146 H147R140-T143 PolarHBondContact N-OG1 3.2Å; R140-T143 PolarHBondContact O-N 2.97Å; R140-T143 PolarHBondContact O-OG1 3.24Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 2.87Å; T143-L145 VanDerWaalsContact C-N 3.34Å; T143-T146 WeakPolarHBondContact CA-OG1 3.18Å; T143-T146 PolarHBondContact O-OG1 3.48Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.48Å; T143-H147 PolarHBondContact O-N 3.3Å
144L86.7Confident83.9Confident21 Ų2157.1 Ų57.111%0.1130%0.303CS..Hα-helixtrans-63-43.3170.8172.762.3000110.4K130 C131 F138 R140 S141 H147 K148K130-L144 WeakPolarHBondContact O-CD2 3.44Å; C131-L144 HydrophobicContact CB-CD1 3.71Å; F138-L144 HydrophobicContact CB-CB 4.32Å; F138-L144 HydrophobicContact CD2-CB 3.94Å; F138-L144 HydrophobicContact CD2-CD1 3.76Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.89Å; F138-L144 HydrophobicContact CG-CB 4.22Å; R140-L144 PolarHBondContact O-N 3.14Å; S141-L144 WeakPolarHBondContact O-CB 3.38Å; S141-L144 PolarHBondContact O-N 3.16Å; L144-H147 CarbonylContact O-C 3.59Å; L144-H147 WeakPolarHBondContact O-CB 3.45Å; L144-H147 PolarHBondContact O-N 3.35Å; L144-H147 VanDerWaalsContact O-N 3.14Å; L144-K148 HydrophobicContact CD1-CG 4Å; L144-K148 HydrophobicContact CG-CG 4.36Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.81Å
145L84Confident83.4Confident49 Ų4962.3 Ų62.326%0.25733%0.327SS..Hα-helixtrans-63-45.5179.7-173.470.2000112.5S141 N142 T143 H147 K148 F149 P177 F178S141-L145 PolarHBondContact O-N 3.25Å; N142-L145 PolarHBondContact O-N 3.33Å; T143-L145 VanDerWaalsContact C-N 3.34Å; L145-H147 PolarHBondContact O-N 2.73Å; L145-K148 PolarHBondContact O-N 3.38Å; L145-F149 PolarHBondContact O-N 2.81Å; L145-P177 HydrophobicContact CD2-CB 3.47Å; L145-P177 VanDerWaalsContact CD2-CB 3.47Å; L145-P177 HydrophobicContact CD2-CG 4.18Å; L145-F178 HydrophobicContact CB-CE1 4.47Å; L145-F178 HydrophobicContact CD2-CD1 4.31Å; L145-F178 HydrophobicContact CD2-CE1 3.88Å; L145-F178 HydrophobicContact CD2-CZ 4.31Å; L145-F178 HydrophobicContact CG-CE1 4.41Å
146T84.7Confident83.3Confident43 Ų4356.5 Ų56.526%0.26431%0.305SS..Hα-helixtrans-60.5-38173.548.30000111.6N142 T143 F149 S150 F178 P190N142-T146 PolarHBondContact O-N 3.22Å; N142-T146 PolarHBondContact O-OG1 3.43Å; T143-T146 WeakPolarHBondContact CA-OG1 3.18Å; T143-T146 PolarHBondContact O-OG1 3.48Å; T146-F149 PolarHBondContact O-N 3.05Å; T146-S150 PolarHBondContact O-N 3.46Å; T146-S150 PolarHBondContact O-OG 2.82Å; T146-F178 HydrophobicContact CG2-CE1 3.54Å; T146-F178 HydrophobicContact CG2-CZ 3.93Å; T146-P190 HydrophobicContact CG2-CB 3.56Å; T146-P190 HydrophobicContact CG2-CG 3.83Å
147H85.9Confident83.1Confident29 Ų2961.4 Ų61.413%0.13432%0.321CS..Hα-helixtrans-67.4-45.8178.8170.370.7000112.3C134 F138 T143 L144 L145 F149 S150 L151C134-H147 VanDerWaalsContact SG-CE1 3.55Å; C134-H147 PolarHBondContact SG-NE2 3.09Å; F138-H147 HydrophobicContact CE1-CB 3.92Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.38Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.42Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.94Å; F138-H147 HydrophobicContact CZ-CB 3.47Å; F138-H147 VanDerWaalsContact CZ-CB 3.47Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.2Å; F138-H147 AromaticContact CZ-CG 3.21Å; F138-H147 AromaticContact CZ-ND1 3.68Å; F138-H147 AromaticContact CZ-NE2 3.84Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.48Å; T143-H147 PolarHBondContact O-N 3.3Å; L144-H147 CarbonylContact O-C 3.59Å; L144-H147 WeakPolarHBondContact O-CB 3.45Å; L144-H147 PolarHBondContact O-N 3.35Å; L144-H147 VanDerWaalsContact O-N 3.14Å; L145-H147 PolarHBondContact O-N 2.73Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.09Å; H147-S150 PolarHBondContact O-N 3.15Å; H147-L151 WeakPolarHBondContact NE2-CD1 3.24Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.26Å
148K86.1Confident83Confident57 Ų5764.2 Ų64.225%0.24833%0.328CS..Hα-helixtrans-59.4-41.7174.2-70.3-164.9179.7-1530111.2F31 D132 L144 L145 L151 A152F31-K148 HydrophobicContact CE1-CB 3.95Å; D132-K148 WeakPolarHBondContact OD1-CE 3.35Å; D132-K148 IonicContact OD1-NZ 3.37Å; D132-K148 PolarHBondContact OD1-NZ 3.4Å; D132-K148 IonicContact OD2-NZ 2.93Å; D132-K148 PolarHBondContact OD2-NZ 3.34Å; L144-K148 HydrophobicContact CD1-CG 4Å; L144-K148 HydrophobicContact CG-CG 4.36Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.81Å; L145-K148 PolarHBondContact O-N 3.38Å; K148-L151 PolarHBondContact O-N 2.73Å; K148-A152 WeakPolarHBondContact O-CB 3.28Å; K148-A152 PolarHBondContact O-N 3.47Å
149F83Confident82.8Confident14 Ų1465.5 Ų65.56%0.06133%0.333CS..Hα-helixtrans-61-47.3174.4-168.5-84.6000111.6F31 L145 T146 H147 L151 A152 F153 F159 I162 Y163 F166F31-F149 HydrophobicContact CZ-CD2 4.43Å; L145-F149 PolarHBondContact O-N 2.81Å; T146-F149 PolarHBondContact O-N 3.05Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.09Å; F149-L151 PolarHBondContact O-N 3.26Å; F149-A152 PolarHBondContact O-N 3.04Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 HydrophobicContact CD2-CD2 4.27Å; F149-F153 HydrophobicContact CD2-CE2 4.07Å; F149-F153 AromaticContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CE2 4.4Å; F149-F153 AromaticContact CE2-CD2 3.97Å; F149-F153 HydrophobicContact CE2-CD2 3.97Å; F149-F153 AromaticContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CG-CD2 4.38Å; F149-F153 AromaticContact CZ-CD2 3.76Å; F149-F153 HydrophobicContact CZ-CD2 3.76Å; F149-F153 AromaticContact CZ-CE2 3.87Å; F149-F153 HydrophobicContact CZ-CE2 3.87Å; F149-F153 VanDerWaalsContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CD2 3.29Å; F149-F153 PolarHBondContact O-N 2.72Å; F149-F159 HydrophobicContact CD1-CE2 4.19Å; F149-F159 HydrophobicContact CD1-CZ 4.47Å; F149-F159 HydrophobicContact CE1-CE2 4.12Å; F149-F159 HydrophobicContact CE1-CZ 4.49Å; F149-I162 HydrophobicContact CZ-CG2 4.27Å; F149-Y163 AromaticContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CE2 4.49Å; F149-Y163 AromaticContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CD2 3.45Å; F149-Y163 VanDerWaalsContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CE2 4.45Å; F149-Y163 HydrophobicContact CE1-CG 4.14Å; F149-Y163 HydrophobicContact CZ-CD2 4.13Å; F149-F166 AromaticContact CD2-CD1 3.91Å; F149-F166 HydrophobicContact CD2-CD1 3.91Å; F149-F166 AromaticContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CZ 4.35Å; F149-F166 HydrophobicContact CE2-CB 4.14Å; F149-F166 AromaticContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD2 4.37Å; F149-F166 AromaticContact CE2-CE1 3.48Å; F149-F166 HydrophobicContact CE2-CE1 3.48Å; F149-F166 VanDerWaalsContact CE2-CE1 3.48Å; F149-F166 AromaticContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CZ 4.19Å; F149-F166 HydrophobicContact CZ-CB 4.2Å; F149-F166 AromaticContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CG 4.28Å
150S84.5Confident82.8Confident52 Ų5266.4 Ų66.436%0.36434%0.344SS..Hα-helixtrans-60.7-44.9175.6-690000112.1T146 H147 A152 F153 K154T146-S150 PolarHBondContact O-N 3.46Å; T146-S150 PolarHBondContact O-OG 2.82Å; H147-S150 PolarHBondContact O-N 3.15Å; S150-A152 VanDerWaalsContact C-N 3.35Å; S150-A152 PolarHBondContact O-N 3.15Å; S150-F153 PolarHBondContact O-N 2.86Å; S150-K154 VanDerWaalsContact O-CA 3.32Å; S150-K154 WeakPolarHBondContact O-CA 3.4Å; S150-K154 WeakPolarHBondContact O-CB 3.32Å; S150-K154 PolarHBondContact O-N 3.39Å
151L84.7Confident83Confident58 Ų5865.6 Ų65.630%0.30435%0.351SS..Hα-helixtrans-60.2-42.5178.3-76.4179.8000112.6C131 V133 C134 H147 K148 F149 F153C131-L151 VanDerWaalsContact SG-CD1 3.59Å; V133-L151 HydrophobicContact CB-CD1 4.14Å; V133-L151 HydrophobicContact CG1-CD1 4.39Å; C134-L151 HydrophobicContact CB-CD1 4.45Å; H147-L151 WeakPolarHBondContact NE2-CD1 3.24Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.26Å; K148-L151 PolarHBondContact O-N 2.73Å; F149-L151 PolarHBondContact O-N 3.26Å; L151-F153 PolarHBondContact O-N 3.03Å
152A82Confident82.9Confident53 Ų5364.3 Ų64.344%0.43834%0.341SS..Hα-helixtrans-65.3-23.4-177.500000113.8F31 K148 F149 S150F31-A152 HydrophobicContact CE2-CB 3.87Å; F31-A152 HydrophobicContact CZ-CB 3.52Å; K148-A152 WeakPolarHBondContact O-CB 3.28Å; K148-A152 PolarHBondContact O-N 3.47Å; F149-A152 PolarHBondContact O-N 3.04Å; S150-A152 VanDerWaalsContact C-N 3.35Å; S150-A152 PolarHBondContact O-N 3.15Å
153F80.5Confident82.8Confident15 Ų1567.1 Ų67.17%0.06635%0.351CS..Hα-helixtrans-1315.6-171.3-57.9-67.9000114.1L27 F31 F149 S150 L151 D155 S156 F159 I162L27-F153 HydrophobicContact CB-CZ 4.44Å; L27-F153 HydrophobicContact CD1-CE1 4.33Å; L27-F153 HydrophobicContact CD1-CZ 4.48Å; L27-F153 HydrophobicContact CD2-CE1 4.02Å; L27-F153 HydrophobicContact CD2-CZ 4.27Å; F31-F153 AromaticContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CZ 4.23Å; F31-F153 HydrophobicContact CZ-CE2 4.27Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 HydrophobicContact CD2-CD2 4.27Å; F149-F153 HydrophobicContact CD2-CE2 4.07Å; F149-F153 AromaticContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CE2 4.4Å; F149-F153 AromaticContact CE2-CD2 3.97Å; F149-F153 HydrophobicContact CE2-CD2 3.97Å; F149-F153 AromaticContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CG-CD2 4.38Å; F149-F153 AromaticContact CZ-CD2 3.76Å; F149-F153 HydrophobicContact CZ-CD2 3.76Å; F149-F153 AromaticContact CZ-CE2 3.87Å; F149-F153 HydrophobicContact CZ-CE2 3.87Å; F149-F153 VanDerWaalsContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CD2 3.29Å; F149-F153 PolarHBondContact O-N 2.72Å; S150-F153 PolarHBondContact O-N 2.86Å; L151-F153 PolarHBondContact O-N 3.03Å; F153-D155 PolarHBondContact O-N 3.34Å; F153-S156 VanDerWaalsContact O-CB 3.3Å; F153-S156 WeakPolarHBondContact O-CB 3.38Å; F153-S156 PolarHBondContact O-N 3.13Å; F153-F159 HydrophobicContact CB-CD2 3.58Å; F153-F159 HydrophobicContact CB-CE2 4.05Å; F153-F159 WeakPolarHBondContact O-CD2 3.23Å; F153-I162 HydrophobicContact CD1-CD1 3.83Å; F153-I162 HydrophobicContact CD1-CG2 3.87Å; F153-I162 HydrophobicContact CD2-CG2 4.14Å; F153-I162 HydrophobicContact CE1-CD1 4.33Å; F153-I162 HydrophobicContact CE1-CG2 3.84Å; F153-I162 HydrophobicContact CE2-CG2 4.13Å; F153-I162 HydrophobicContact CG-CD1 4.49Å; F153-I162 HydrophobicContact CG-CG2 4.02Å; F153-I162 HydrophobicContact CZ-CG2 3.98Å
154K77.4Confident82.8Confident157 Ų15769.3 Ų69.368%0.68336%0.36SS*.THydrogen-bonded Turntrans-56.3-38.8-173.5-165.6-178.8172.8-164.30112.3S150 S156S150-K154 VanDerWaalsContact O-CA 3.32Å; S150-K154 WeakPolarHBondContact O-CA 3.4Å; S150-K154 WeakPolarHBondContact O-CB 3.32Å; S150-K154 PolarHBondContact O-N 3.39Å; K154-S156 VanDerWaalsContact C-N 3.29Å
155D77Confident82.6Confident153 Ų15370 Ų7082%0.81837%0.366SS*.THydrogen-bonded Turntrans-87.3-4.2-175.4-52-37.3000112.2F153 R157F153-D155 PolarHBondContact O-N 3.34Å; D155-R157 PolarHBondContact O-N 2.87Å
156S80.8Confident82.3Confident45 Ų4568.6 Ų68.632%0.31536%0.358SS..  trans-79120.2176.8-65.30000110.2F153 K154 H158 F159F153-S156 VanDerWaalsContact O-CB 3.3Å; F153-S156 WeakPolarHBondContact O-CB 3.38Å; F153-S156 PolarHBondContact O-N 3.13Å; K154-S156 VanDerWaalsContact C-N 3.29Å; S156-H158 PolarHBondContact O-N 3.31Å; S156-F159 WeakPolarHBondContact O-CB 3.49Å; S156-F159 PolarHBondContact O-N 3.25Å
157R85Confident82Confident226 Ų22666.9 Ų66.985%0.85335%0.347SS*.THydrogen-bonded Turntrans-51.8-22.3165.158.2177.5-93.2168.1-3.6113.5D155D155-R157 PolarHBondContact O-N 2.87Å
158H84.1Confident81.9Confident91 Ų9169.7 Ų69.742%0.42136%0.363SS..THydrogen-bonded Turntrans-9614.9177.7-55.5128.9000113.7S156 A160 C161 I162S156-H158 PolarHBondContact O-N 3.31Å; H158-A160 VanDerWaalsContact C-N 3.25Å; H158-A160 PolarHBondContact O-N 2.79Å; H158-A160 VanDerWaalsContact O-N 3.15Å; H158-C161 HydrophobicContact CB-CB 4.46Å; H158-C161 PolarHBondContact O-N 2.86Å; H158-I162 HydrophobicContact CB-CD1 4.1Å; H158-I162 HydrophobicContact CB-CG1 4.18Å; H158-I162 VanDerWaalsContact O-CG1 3.31Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.8Å
159F81.5Confident81.6Confident68 Ų6868.6 Ų68.630%0.29836%0.359SS..Hα-helixtrans-47.4-47.3-178.4178.1-100.4000112.8F149 F153 S156 I162 Y163F149-F159 HydrophobicContact CD1-CE2 4.19Å; F149-F159 HydrophobicContact CD1-CZ 4.47Å; F149-F159 HydrophobicContact CE1-CE2 4.12Å; F149-F159 HydrophobicContact CE1-CZ 4.49Å; F153-F159 HydrophobicContact CB-CD2 3.58Å; F153-F159 HydrophobicContact CB-CE2 4.05Å; F153-F159 WeakPolarHBondContact O-CD2 3.23Å; S156-F159 WeakPolarHBondContact O-CB 3.49Å; S156-F159 PolarHBondContact O-N 3.25Å; F159-I162 PolarHBondContact O-N 3.38Å; F159-Y163 VanDerWaalsContact O-CB 3.27Å; F159-Y163 WeakPolarHBondContact O-CB 3.23Å; F159-Y163 PolarHBondContact O-N 3.23Å
160A82.3Confident81.6Confident72 Ų7268.6 Ų68.660%0.59536%0.358SS*.Hα-helixtrans-63.1-44.8179.300000112.6H158 L164H158-A160 VanDerWaalsContact C-N 3.25Å; H158-A160 PolarHBondContact O-N 2.79Å; H158-A160 VanDerWaalsContact O-N 3.15Å; A160-L164 WeakPolarHBondContact O-CB 3.46Å; A160-L164 PolarHBondContact O-N 3.01Å
161C83.6Confident81.4Confident67 Ų6770.2 Ų70.245%0.45336%0.362SS..Hα-helixtrans-65.3-46.3177.3-66.40000111.2H158 Y163 L164 C165H158-C161 HydrophobicContact CB-CB 4.46Å; H158-C161 PolarHBondContact O-N 2.86Å; C161-Y163 PolarHBondContact O-N 3.27Å; C161-L164 PolarHBondContact O-N 3.13Å; C161-C165 WeakPolarHBondContact O-CB 3.35Å; C161-C165 PolarHBondContact O-N 3.28Å; C161-C165 PolarHBondContact O-SG 3.18Å
162I79.9Confident80.9Confident15 Ų1575.6 Ų75.68%0.07739%0.385CS..Hα-helixtrans-60.4-46.6178.6-64169000110.2F22 F149 F153 H158 F159 L164 C165 F166F22-I162 HydrophobicContact CD1-CG1 4.48Å; F22-I162 HydrophobicContact CE1-CD1 3.74Å; F22-I162 HydrophobicContact CE1-CG1 3.73Å; F22-I162 HydrophobicContact CE1-CG2 4.5Å; F22-I162 HydrophobicContact CZ-CD1 3.81Å; F22-I162 HydrophobicContact CZ-CG1 4.29Å; F149-I162 HydrophobicContact CZ-CG2 4.27Å; F153-I162 HydrophobicContact CD1-CD1 3.83Å; F153-I162 HydrophobicContact CD1-CG2 3.87Å; F153-I162 HydrophobicContact CD2-CG2 4.14Å; F153-I162 HydrophobicContact CE1-CD1 4.33Å; F153-I162 HydrophobicContact CE1-CG2 3.84Å; F153-I162 HydrophobicContact CE2-CG2 4.13Å; F153-I162 HydrophobicContact CG-CD1 4.49Å; F153-I162 HydrophobicContact CG-CG2 4.02Å; F153-I162 HydrophobicContact CZ-CG2 3.98Å; H158-I162 HydrophobicContact CB-CD1 4.1Å; H158-I162 HydrophobicContact CB-CG1 4.18Å; H158-I162 VanDerWaalsContact O-CG1 3.31Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.8Å; F159-I162 PolarHBondContact O-N 3.38Å; I162-L164 VanDerWaalsContact C-N 3.32Å; I162-L164 PolarHBondContact O-N 3.42Å; I162-C165 PolarHBondContact O-N 3.48Å; I162-F166 VanDerWaalsContact O-CB 3.27Å; I162-F166 WeakPolarHBondContact O-CB 3.37Å; I162-F166 PolarHBondContact O-N 3.29Å
163Y80.9Confident80.9Confident72 Ų7276.5 Ų76.528%0.28239%0.386SS..Hα-helixtrans-59.8-42.2176.4-178-89.4000112.2F149 F159 C161 S167 P190F149-Y163 AromaticContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CE2 4.49Å; F149-Y163 AromaticContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CD2 3.45Å; F149-Y163 VanDerWaalsContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CE2 4.45Å; F149-Y163 HydrophobicContact CE1-CG 4.14Å; F149-Y163 HydrophobicContact CZ-CD2 4.13Å; F159-Y163 VanDerWaalsContact O-CB 3.27Å; F159-Y163 WeakPolarHBondContact O-CB 3.23Å; F159-Y163 PolarHBondContact O-N 3.23Å; C161-Y163 PolarHBondContact O-N 3.27Å; Y163-S167 VanDerWaalsContact O-CB 3.28Å; Y163-S167 WeakPolarHBondContact O-CB 3.21Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 PolarHBondContact O-OG 2.91Å; Y163-P190 WeakPolarHBondContact OH-CD 3.37Å; Y163-P190 WeakPolarHBondContact OH-CG 3.43Å
164L83.9Confident81Confident99 Ų9977.5 Ų77.552%0.51840%0.4SS..Hα-helixtrans-67-48.5177.9-177.961000111.6A160 C161 I162 F166 S167 L168A160-L164 WeakPolarHBondContact O-CB 3.46Å; A160-L164 PolarHBondContact O-N 3.01Å; C161-L164 PolarHBondContact O-N 3.13Å; I162-L164 VanDerWaalsContact C-N 3.32Å; I162-L164 PolarHBondContact O-N 3.42Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 3.01Å; L164-S167 WeakPolarHBondContact O-CB 3.27Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.16Å; L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 4.08Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.23Å
165C81.9Confident81.1Confident34 Ų3474 Ų7423%0.2339%0.386CS..Hα-helixtrans-55.8-48.8176.5-73.60000111.2I24 C161 I162 S167 L168 Q169I24-C165 HydrophobicContact CD1-CB 4.04Å; C161-C165 WeakPolarHBondContact O-CB 3.35Å; C161-C165 PolarHBondContact O-N 3.28Å; C161-C165 PolarHBondContact O-SG 3.18Å; I162-C165 PolarHBondContact O-N 3.48Å; C165-S167 VanDerWaalsContact C-N 3.34Å; C165-S167 PolarHBondContact O-N 3.44Å; C165-L168 PolarHBondContact O-N 3.43Å; C165-Q169 PolarHBondContact O-N 3.15Å
166F78.2Confident81.6Confident20 Ų2072.1 Ų72.19%0.08837%0.371CS..Hα-helixtrans-62.4-41.2176.9-174-116.5000112.4L28 F149 I162 L164 L168 Q169 R170L28-F166 HydrophobicContact CD2-CD2 4.45Å; L28-F166 HydrophobicContact CD2-CE2 3.58Å; L28-F166 HydrophobicContact CD2-CZ 4.43Å; L28-F166 HydrophobicContact CG-CE2 4.32Å; F149-F166 AromaticContact CD2-CD1 3.91Å; F149-F166 HydrophobicContact CD2-CD1 3.91Å; F149-F166 AromaticContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CZ 4.35Å; F149-F166 HydrophobicContact CE2-CB 4.14Å; F149-F166 AromaticContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD2 4.37Å; F149-F166 AromaticContact CE2-CE1 3.48Å; F149-F166 HydrophobicContact CE2-CE1 3.48Å; F149-F166 VanDerWaalsContact CE2-CE1 3.48Å; F149-F166 AromaticContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CZ 4.19Å; F149-F166 HydrophobicContact CZ-CB 4.2Å; F149-F166 AromaticContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CG 4.28Å; I162-F166 VanDerWaalsContact O-CB 3.27Å; I162-F166 WeakPolarHBondContact O-CB 3.37Å; I162-F166 PolarHBondContact O-N 3.29Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 3.01Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-L168 PolarHBondContact O-N 2.95Å; F166-Q169 PolarHBondContact O-N 2.92Å; F166-R170 WeakPolarHBondContact O-CG 3.31Å; F166-R170 PolarHBondContact O-N 3.46Å
167S79.6Confident81.6Confident7 Ų771.9 Ų71.95%0.04937%0.368CS..Hα-helixtrans-62.9-37.3174.9-66.60000112.7Y163 L164 C165Y163-S167 VanDerWaalsContact O-CB 3.28Å; Y163-S167 WeakPolarHBondContact O-CB 3.21Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 PolarHBondContact O-OG 2.91Å; L164-S167 WeakPolarHBondContact O-CB 3.27Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.16Å; C165-S167 VanDerWaalsContact C-N 3.34Å; C165-S167 PolarHBondContact O-N 3.44Å
168L82.3Confident81.7Confident88 Ų8861.4 Ų61.446%0.46133%0.329SS..Hα-helixtrans-73.5-41.3177.1-72.3172.8000111.6L164 C165 F166 R170 I171L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 4.08Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.23Å; C165-L168 PolarHBondContact O-N 3.43Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-L168 PolarHBondContact O-N 2.95Å; L168-R170 PolarHBondContact O-N 3.42Å; L168-I171 HydrophobicContact CD2-CD1 3.9Å; L168-I171 WeakPolarHBondContact O-CA 3.49Å; L168-I171 WeakPolarHBondContact O-CB 3.47Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.16Å
169Q79.6Confident81.7Confident35 Ų3563 Ų6316%0.16434%0.335CS..Hα-helixtrans-59.1-37.3177-171.7178.22.300111.7D25 L28 C165 F166 I171 H172 T173D25-Q169 PolarHBondContact OD1-NE2 3.4Å; L28-Q169 VanDerWaalsContact CD1-NE2 3.35Å; C165-Q169 PolarHBondContact O-N 3.15Å; F166-Q169 PolarHBondContact O-N 2.92Å; Q169-I171 PolarHBondContact O-N 2.77Å; Q169-I171 VanDerWaalsContact O-N 3.08Å; Q169-H172 WeakPolarHBondContact O-CA 3.45Å; Q169-H172 WeakPolarHBondContact O-CB 3.48Å; Q169-H172 PolarHBondContact O-N 3.36Å; Q169-T173 HydrophobicContact CG-CG2 4.16Å; Q169-T173 PolarHBondContact O-N 3.46Å; Q169-T173 PolarHBondContact O-OG1 3.09Å
170R83.2Confident82Confident14 Ų1460 Ų605%0.05332%0.321CS..Hα-helixtrans-59.9-18172.4-70.6174170.3178.9-2.7114.5F166 L168 T173 G174 E175 R188F166-R170 WeakPolarHBondContact O-CG 3.31Å; F166-R170 PolarHBondContact O-N 3.46Å; L168-R170 PolarHBondContact O-N 3.42Å; R170-T173 WeakPolarHBondContact CA-OG1 3.33Å; R170-G174 WeakPolarHBondContact O-CA 3.17Å; R170-G174 PolarHBondContact O-N 3.12Å; R170-E175 HydrophobicContact CG-CB 4.15Å; R170-R188 HydrophobicContact CB-CB 4.45Å; R170-R188 HydrophobicContact CB-CG 4.37Å; R170-R188 PolarHBondContact NH1-O 2.77Å; R170-R188 PolarHBondContact O-NE 3.09Å
171I80.3Confident82.1Confident86 Ų8661.1 Ų61.144%0.44132%0.318SS..Hα-helixtrans-70.9-42.9171.6-57.1177.3000110L168 Q169 R188L168-I171 HydrophobicContact CD2-CD1 3.9Å; L168-I171 WeakPolarHBondContact O-CA 3.49Å; L168-I171 WeakPolarHBondContact O-CB 3.47Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.16Å; Q169-I171 PolarHBondContact O-N 2.77Å; Q169-I171 VanDerWaalsContact O-N 3.08Å; I171-R188 PolarHBondContact O-NH2 3.4Å
172H75.6Confident82.1Confident170 Ų17061.8 Ų61.879%0.78732%0.323SS*.Hα-helixtrans-74.7-45.5179.4-66.7-73.7000112.6Q169 G174Q169-H172 WeakPolarHBondContact O-CA 3.45Å; Q169-H172 WeakPolarHBondContact O-CB 3.48Å; Q169-H172 PolarHBondContact O-N 3.36Å; H172-G174 VanDerWaalsContact C-N 3.29Å; H172-G174 PolarHBondContact O-N 3.13Å
173T81.1Confident82.5Confident73 Ų7364.1 Ų64.145%0.44834%0.34SS..Hα-helixtrans-77-17.4-179.1620000113.1Q169 R170 E175Q169-T173 HydrophobicContact CG-CG2 4.16Å; Q169-T173 PolarHBondContact O-N 3.46Å; Q169-T173 PolarHBondContact O-OG1 3.09Å; R170-T173 WeakPolarHBondContact CA-OG1 3.33Å; T173-E175 PolarHBondContact O-N 3.26Å; T173-E175 WeakPolarHBondContact OG1-CG 3.47Å; T173-E175 PolarHBondContact OG1-N 3.44Å
174G82.4Confident82.8Confident36 Ų3663.2 Ų63.237%0.37135%0.352SS..  trans75.12-176.200000114.4R170 H172 K176R170-G174 WeakPolarHBondContact O-CA 3.17Å; R170-G174 PolarHBondContact O-N 3.12Å; H172-G174 VanDerWaalsContact C-N 3.29Å; H172-G174 PolarHBondContact O-N 3.13Å; G174-K176 PolarHBondContact O-N 3.46Å
175E80.5Confident83Confident83 Ų8366.1 Ų66.139%0.38836%0.356SS..  trans-59131.3-179.1-75.4-177.4178.500112.9R170 T173 R188R170-E175 HydrophobicContact CG-CB 4.15Å; T173-E175 PolarHBondContact O-N 3.26Å; T173-E175 WeakPolarHBondContact OG1-CG 3.47Å; T173-E175 PolarHBondContact OG1-N 3.44Å; E175-R188 WeakPolarHBondContact O-CG 3.49Å
176K86.2Confident83.3Confident113 Ų11365.8 Ų65.849%0.49136%0.356SS..  trans-130.176.4178.8-67.5167.1-174.81730110.4G174 F178 A186 F187 R188G174-K176 PolarHBondContact O-N 3.46Å; K176-F178 VanDerWaalsContact C-N 3.28Å; K176-F178 PolarHBondContact O-N 3.37Å; K176-A186 HydrophobicContact CB-CB 3.46Å; K176-A186 VanDerWaalsContact CB-CB 3.46Å; K176-A186 HydrophobicContact CD-CB 4.11Å; K176-A186 HydrophobicContact CG-CB 4.4Å; K176-A186 WeakPolarHBondContact O-CB 3.44Å; K176-F187 CarbonylContact C-O 3.47Å; K176-F187 WeakPolarHBondContact CA-O 3.32Å; K176-R188 HydrophobicContact CG-CG 4.13Å
177P82.4Confident83.7Confident40 Ų4066.4 Ų66.426%0.2636%0.359SS..  trans-74.1-18.7-173.414.3-14.7000113.8N142 L145 K179N142-P177 PolarHBondContact OD1-O 3.35Å; L145-P177 HydrophobicContact CD2-CB 3.47Å; L145-P177 VanDerWaalsContact CD2-CB 3.47Å; L145-P177 HydrophobicContact CD2-CG 4.18Å; P177-K179 PolarHBondContact O-N 3.22Å
178F85.2Confident84Confident7 Ų770.2 Ų70.23%0.03137%0.372CS..EExtended strand (participates in β ladder)trans-90.394.8-178.2-57.2-69.1000111.3N142 L145 T146 K176 A186 F187 R188 P190 L193N142-F178 HydrophobicContact CB-CD1 4.02Å; N142-F178 VanDerWaalsContact OD1-CA 3.26Å; N142-F178 WeakPolarHBondContact OD1-CA 3.47Å; L145-F178 HydrophobicContact CB-CE1 4.47Å; L145-F178 HydrophobicContact CD2-CD1 4.31Å; L145-F178 HydrophobicContact CD2-CE1 3.88Å; L145-F178 HydrophobicContact CD2-CZ 4.31Å; L145-F178 HydrophobicContact CG-CE1 4.41Å; T146-F178 HydrophobicContact CG2-CE1 3.54Å; T146-F178 HydrophobicContact CG2-CZ 3.93Å; K176-F178 VanDerWaalsContact C-N 3.28Å; K176-F178 PolarHBondContact O-N 3.37Å; F178-A186 CarbonylContact O-C 3.57Å; F178-A186 WeakPolarHBondContact O-CA 3.36Å; F178-F187 HydrophobicContact CB-CB 4.31Å; F178-F187 WeakPolarHBondContact CB-O 3.36Å; F178-F187 WeakPolarHBondContact CD2-O 3.43Å; F178-F187 PolarHBondContact N-O 2.92Å; F178-F187 VanDerWaalsContact N-O 3.1Å; F178-F187 PolarHBondContact O-N 3.45Å; F178-R188 WeakPolarHBondContact CE2-O 3.38Å; F178-P190 HydrophobicContact CD1-CB 4.24Å; F178-P190 HydrophobicContact CE1-CB 3.99Å; F178-P190 HydrophobicContact CE2-CB 4.29Å; F178-P190 HydrophobicContact CE2-CG 4.29Å; F178-P190 HydrophobicContact CZ-CB 4Å; F178-P190 HydrophobicContact CZ-CG 4.07Å; F178-L193 HydrophobicContact CB-CB 4.17Å; F178-L193 HydrophobicContact CB-CD2 3.99Å
179K85.8Confident84.1Confident125 Ų12569.3 Ų69.354%0.54337%0.366SS..EExtended strand (participates in β ladder)trans-95.7138.9-176.1-67.3-179.2-178.9179.90112.1N142 P177 D181 R185 A186N142-K179 PolarHBondContact ND2-O 2.89Å; N142-K179 PolarHBondContact OD1-N 3Å; N142-K179 VanDerWaalsContact OD1-N 3.07Å; P177-K179 PolarHBondContact O-N 3.22Å; K179-D181 PolarHBondContact O-N 3.2Å; K179-R185 CarbonylContact C-O 3.49Å; K179-A186 HydrophobicContact CG-CB 3.89Å
180C86.8Confident84.3Confident3 Ų369 Ų692%0.0237%0.366CS..  trans-77.6120.3174.7-169.60000110.3S182 C183 G184 R185 L193C180-S182 PolarHBondContact O-N 2.78Å; C180-S182 PolarHBondContact SG-OG 2.78Å; C180-C183 VanDerWaalsContact CB-SG 3.59Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 VanDerWaalsContact SG-SG 3.65Å; C180-G184 VanDerWaalsContact O-CA 3.23Å; C180-G184 WeakPolarHBondContact O-CA 3.38Å; C180-G184 PolarHBondContact O-N 3.13Å; C180-R185 HydrophobicContact CB-CB 4.48Å; C180-R185 WeakPolarHBondContact CB-O 3.37Å; C180-R185 PolarHBondContact N-O 3.17Å; C180-L193 HydrophobicContact CB-CD1 3.79Å
181D84.3Confident84.4Confident97 Ų9770.5 Ų70.552%0.51939%0.387SS..THydrogen-bonded Turntrans-64.2-26.1-179.8-55.2-36000112.5R140 K179R140-D181 VanDerWaalsContact CD-OD2 3.26Å; R140-D181 WeakPolarHBondContact CD-OD2 3.23Å; R140-D181 IonicContact NE-OD2 2.75Å; R140-D181 PolarHBondContact NE-OD2 3.36Å; K179-D181 PolarHBondContact O-N 3.2Å
182S84.9Confident84.8Confident81 Ų8168.6 Ų68.657%0.56638%0.377SS*.THydrogen-bonded Turntrans-87.4-23.3-177.550.90000115C180 H200C180-S182 PolarHBondContact O-N 2.78Å; C180-S182 PolarHBondContact SG-OG 2.78Å; S182-H200 PolarHBondContact OG-CD2 2.89Å; S182-H200 PolarHBondContact OG-NE2 3.18Å; S182-H200 VanDerWaalsContact OG-NE2 3.12Å
183C88Confident85.4Confident64 Ų6461 Ų6143%0.43234%0.343SS..THydrogen-bonded Turntrans-138.32.6-177.569.10000114.8C180 R185 H196 H200C180-C183 VanDerWaalsContact CB-SG 3.59Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 VanDerWaalsContact SG-SG 3.65Å; C183-R185 PolarHBondContact O-N 3.17Å; C183-R185 VanDerWaalsContact SG-CB 3.53Å; C183-H196 PolarHBondContact SG-NE2 3.42Å; C183-H200 PolarHBondContact SG-NE2 2.67Å
184G87.3Confident85.6Confident52 Ų5261.7 Ų61.754%0.53635%0.347SS..  trans71.7-8.5-178.100000115.3C180 A186C180-G184 VanDerWaalsContact O-CA 3.23Å; C180-G184 WeakPolarHBondContact O-CA 3.38Å; C180-G184 PolarHBondContact O-N 3.13Å; G184-A186 PolarHBondContact O-N 3.28Å
185R88.3Confident85.7Confident160 Ų16064.5 Ų64.560%0.60435%0.346SS*.  trans-62.3130.1-176.1-169.2170.4-177.3163.34.8111.7K179 C180 C183 F187K179-R185 CarbonylContact C-O 3.49Å; C180-R185 HydrophobicContact CB-CB 4.48Å; C180-R185 WeakPolarHBondContact CB-O 3.37Å; C180-R185 PolarHBondContact N-O 3.17Å; C183-R185 PolarHBondContact O-N 3.17Å; C183-R185 VanDerWaalsContact SG-CB 3.53Å; R185-F187 HydrophobicContact CB-CE2 4.09Å; R185-F187 HydrophobicContact CB-CZ 4.32Å; R185-F187 HydrophobicContact CG-CE2 3.9Å; R185-F187 HydrophobicContact CG-CZ 3.75Å; R185-F187 WeakPolarHBondContact O-CE2 3.24Å
186A87.9Confident86.1Confident28 Ų2861.6 Ų61.623%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-104.6142.7-173.200000113.1K176 F178 K179 G184K176-A186 HydrophobicContact CB-CB 3.46Å; K176-A186 VanDerWaalsContact CB-CB 3.46Å; K176-A186 HydrophobicContact CD-CB 4.11Å; K176-A186 HydrophobicContact CG-CB 4.4Å; K176-A186 WeakPolarHBondContact O-CB 3.44Å; F178-A186 CarbonylContact O-C 3.57Å; F178-A186 WeakPolarHBondContact O-CA 3.36Å; K179-A186 HydrophobicContact CG-CB 3.89Å; G184-A186 PolarHBondContact O-N 3.28Å
187F86.6Confident86.1Confident32 Ų3260.6 Ų60.614%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-129.9151.1-176.7-59.3-89000111.9K176 F178 R185 N192 L193 H196K176-F187 CarbonylContact C-O 3.47Å; K176-F187 WeakPolarHBondContact CA-O 3.32Å; F178-F187 HydrophobicContact CB-CB 4.31Å; F178-F187 WeakPolarHBondContact CB-O 3.36Å; F178-F187 WeakPolarHBondContact CD2-O 3.43Å; F178-F187 PolarHBondContact N-O 2.92Å; F178-F187 VanDerWaalsContact N-O 3.1Å; F178-F187 PolarHBondContact O-N 3.45Å; R185-F187 HydrophobicContact CB-CE2 4.09Å; R185-F187 HydrophobicContact CB-CZ 4.32Å; R185-F187 HydrophobicContact CG-CE2 3.9Å; R185-F187 HydrophobicContact CG-CZ 3.75Å; R185-F187 WeakPolarHBondContact O-CE2 3.24Å; F187-N192 HydrophobicContact CB-CB 4.22Å; F187-N192 HydrophobicContact CD1-CB 3.93Å; F187-N192 HydrophobicContact CG-CB 4.34Å; F187-L193 HydrophobicContact CB-CB 4.38Å; F187-L193 HydrophobicContact CD2-CB 3.97Å; F187-L193 HydrophobicContact CD2-CD1 3.8Å; F187-L193 HydrophobicContact CD2-CG 4.5Å; F187-L193 HydrophobicContact CE2-CD1 3.99Å; F187-L193 HydrophobicContact CG-CB 4.34Å; F187-H196 HydrophobicContact CE1-CB 3.96Å; F187-H196 HydrophobicContact CE2-CB 3.82Å; F187-H196 AromaticContact CE2-CD2 3.24Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.41Å; F187-H196 AromaticContact CE2-CG 3.61Å; F187-H196 AromaticContact CE2-NE2 3.96Å; F187-H196 HydrophobicContact CZ-CB 3.38Å; F187-H196 AromaticContact CZ-CD2 3.36Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.5Å; F187-H196 AromaticContact CZ-CG 3.22Å; F187-H196 AromaticContact CZ-ND1 3.85Å; F187-H196 AromaticContact CZ-NE2 3.97Å
188R85.1Confident86.2Confident87 Ų8760.9 Ų60.933%0.32833%0.325SS..SBendtrans-77.8-28.4178.3-65.4-177.6176.2143.6-2.9113.9R170 I171 E175 K176 F178R170-R188 HydrophobicContact CB-CB 4.45Å; R170-R188 HydrophobicContact CB-CG 4.37Å; R170-R188 PolarHBondContact NH1-O 2.77Å; R170-R188 PolarHBondContact O-NE 3.09Å; I171-R188 PolarHBondContact O-NH2 3.4Å; E175-R188 WeakPolarHBondContact O-CG 3.49Å; K176-R188 HydrophobicContact CG-CG 4.13Å; F178-R188 WeakPolarHBondContact CE2-O 3.38Å
189Q84.3Confident86.1Confident70 Ų7064.4 Ų64.433%0.32735%0.347SS..SBendtrans-128145.3-175.3-71.8-179.9-25.200110.9G191 N192 L193Q189-G191 PolarHBondContact O-N 3.02Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.23Å; Q189-L193 PolarHBondContact O-N 3.35Å
190P85.1Confident86Confident27 Ų2762.5 Ų62.518%0.17534%0.34CS..Hα-helixtrans-66.9-37.7-177.428-32.5000111.9T146 Y163 F178 N192 L193 T194T146-P190 HydrophobicContact CG2-CB 3.56Å; T146-P190 HydrophobicContact CG2-CG 3.83Å; Y163-P190 WeakPolarHBondContact OH-CD 3.37Å; Y163-P190 WeakPolarHBondContact OH-CG 3.43Å; F178-P190 HydrophobicContact CD1-CB 4.24Å; F178-P190 HydrophobicContact CE1-CB 3.99Å; F178-P190 HydrophobicContact CE2-CB 4.29Å; F178-P190 HydrophobicContact CE2-CG 4.29Å; F178-P190 HydrophobicContact CZ-CB 4Å; F178-P190 HydrophobicContact CZ-CG 4.07Å; P190-N192 PolarHBondContact O-N 3.33Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.44Å; P190-L193 VanDerWaalsContact O-N 3.09Å; P190-T194 PolarHBondContact O-N 2.95Å; P190-T194 PolarHBondContact O-OG1 3.25Å
191G85.3Confident85.6Confident47 Ų4765.6 Ų65.649%0.48536%0.359SS..Hα-helixtrans-60.3-32176.300000113.4Q189 R195Q189-G191 PolarHBondContact O-N 3.02Å; G191-R195 WeakPolarHBondContact O-CB 3.5Å; G191-R195 PolarHBondContact O-N 3Å
192N88.1Confident85.2Confident45 Ų4567.1 Ų67.124%0.24137%0.372CS..Hα-helixtrans-70.9-38.7175.5-70.2-27.7000111.9F187 Q189 P190 R195 H196F187-N192 HydrophobicContact CB-CB 4.22Å; F187-N192 HydrophobicContact CD1-CB 3.93Å; F187-N192 HydrophobicContact CG-CB 4.34Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.23Å; P190-N192 PolarHBondContact O-N 3.33Å; N192-R195 PolarHBondContact OD1-NH2 3.38Å; N192-H196 VanDerWaalsContact O-CB 3.32Å; N192-H196 WeakPolarHBondContact O-CB 3.36Å; N192-H196 PolarHBondContact O-N 3.2Å
193L88Confident85Confident11 Ų1166.8 Ų66.86%0.05837%0.366CS..Hα-helixtrans-64.6-46.1173173.464.4000111N142 F178 C180 F187 Q189 P190 R195 H196 R197N142-L193 HydrophobicContact CB-CD2 3.93Å; N142-L193 WeakPolarHBondContact ND2-CD2 3.36Å; F178-L193 HydrophobicContact CB-CB 4.17Å; F178-L193 HydrophobicContact CB-CD2 3.99Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; F187-L193 HydrophobicContact CB-CB 4.38Å; F187-L193 HydrophobicContact CD2-CB 3.97Å; F187-L193 HydrophobicContact CD2-CD1 3.8Å; F187-L193 HydrophobicContact CD2-CG 4.5Å; F187-L193 HydrophobicContact CE2-CD1 3.99Å; F187-L193 HydrophobicContact CG-CB 4.34Å; Q189-L193 PolarHBondContact O-N 3.35Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.44Å; P190-L193 VanDerWaalsContact O-N 3.09Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.1Å; L193-H196 WeakPolarHBondContact O-CB 3.47Å; L193-H196 PolarHBondContact O-N 3.47Å; L193-H196 VanDerWaalsContact O-N 3.13Å; L193-R197 HydrophobicContact CD1-CG 4.43Å; L193-R197 WeakPolarHBondContact O-CG 3.49Å; L193-R197 PolarHBondContact O-N 3.44Å
194T85.7Confident84.8Confident87 Ų8769.6 Ų69.653%0.53437%0.371SS..Hα-helixtrans-57.7-47.1177.5-59.30000111.4P190 H196 R197P190-T194 PolarHBondContact O-N 2.95Å; P190-T194 PolarHBondContact O-OG1 3.25Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.28Å; T194-R197 WeakPolarHBondContact O-CB 3.35Å; T194-R197 PolarHBondContact O-N 2.83Å
195R84.4Confident84.6Confident95 Ų9570.8 Ų70.836%0.35837%0.37SS..Hα-helixtrans-62.8-39.5175.6-177.917665.5-149.6-5.8112.3G191 N192 L193 R197 L198 R217G191-R195 WeakPolarHBondContact O-CB 3.5Å; G191-R195 PolarHBondContact O-N 3Å; N192-R195 PolarHBondContact OD1-NH2 3.38Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.1Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-L198 WeakPolarHBondContact O-CB 3.47Å; R195-L198 PolarHBondContact O-N 2.85Å; R195-R217 HydrophobicContact CG-CG 4.35Å
196H87.9Confident84.4Confident23 Ų2367.9 Ų67.911%0.10636%0.359CS..Hα-helixtrans-63.4-37175.4168.659.3000111.8C183 F187 N192 L193 T194 L198 T199 H200C183-H196 PolarHBondContact SG-NE2 3.42Å; F187-H196 HydrophobicContact CE1-CB 3.96Å; F187-H196 HydrophobicContact CE2-CB 3.82Å; F187-H196 AromaticContact CE2-CD2 3.24Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.41Å; F187-H196 AromaticContact CE2-CG 3.61Å; F187-H196 AromaticContact CE2-NE2 3.96Å; F187-H196 HydrophobicContact CZ-CB 3.38Å; F187-H196 AromaticContact CZ-CD2 3.36Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.5Å; F187-H196 AromaticContact CZ-CG 3.22Å; F187-H196 AromaticContact CZ-ND1 3.85Å; F187-H196 AromaticContact CZ-NE2 3.97Å; N192-H196 VanDerWaalsContact O-CB 3.32Å; N192-H196 WeakPolarHBondContact O-CB 3.36Å; N192-H196 PolarHBondContact O-N 3.2Å; L193-H196 WeakPolarHBondContact O-CB 3.47Å; L193-H196 PolarHBondContact O-N 3.47Å; L193-H196 VanDerWaalsContact O-N 3.13Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.28Å; H196-L198 PolarHBondContact O-N 3.42Å; H196-L198 VanDerWaalsContact O-N 3.17Å; H196-T199 PolarHBondContact ND1-OG1 3.41Å; H196-T199 WeakPolarHBondContact O-CB 3.42Å; H196-T199 PolarHBondContact O-N 3.44Å; H196-T199 PolarHBondContact O-OG1 2.96Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-NE2 3.44Å; H196-H200 PolarHBondContact NE2-NE2 3.07Å
197R85.8Confident84.4Confident92 Ų9269 Ų6935%0.34737%0.368SS..Hα-helixtrans-59.7-29.8176.8-71.4178.664.8-138-11.4113.1R140 L193 T194 R195 T199 H200 T201R140-R197 VanDerWaalsContact NH1-CZ 3.29Å; R140-R197 VanDerWaalsContact NH1-NH1 3.1Å; R140-R197 VanDerWaalsContact NH2-NH2 3.14Å; L193-R197 HydrophobicContact CD1-CG 4.43Å; L193-R197 WeakPolarHBondContact O-CG 3.49Å; L193-R197 PolarHBondContact O-N 3.44Å; T194-R197 WeakPolarHBondContact O-CB 3.35Å; T194-R197 PolarHBondContact O-N 2.83Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.17Å; R197-T199 PolarHBondContact O-N 3.31Å; R197-H200 WeakPolarHBondContact O-CB 3.28Å; R197-H200 PolarHBondContact O-N 3.46Å; R197-T201 PolarHBondContact O-N 3.34Å
198L84.8Confident84.4Confident46 Ų4667.5 Ų67.524%0.24136%0.362CS..Hα-helixtrans-62.4-22.7173.5-61172.7000113R195 H196 H200 V203 N216R195-L198 WeakPolarHBondContact O-CB 3.47Å; R195-L198 PolarHBondContact O-N 2.85Å; H196-L198 PolarHBondContact O-N 3.42Å; H196-L198 VanDerWaalsContact O-N 3.17Å; L198-H200 VanDerWaalsContact C-N 3.27Å; L198-V203 HydrophobicContact CD2-CB 4.33Å; L198-V203 HydrophobicContact CD2-CG1 4.24Å; L198-N216 HydrophobicContact CB-CB 4.38Å
199T84.4Confident84.4Confident80 Ų8070.6 Ų70.649%0.49139%0.385SS..Hα-helixtrans-74.4-20.5174.669.50000112.5H196 R197H196-T199 PolarHBondContact ND1-OG1 3.41Å; H196-T199 WeakPolarHBondContact O-CB 3.42Å; H196-T199 PolarHBondContact O-N 3.44Å; H196-T199 PolarHBondContact O-OG1 2.96Å; R197-T199 PolarHBondContact O-N 3.31Å
200H84.1Confident84.3Confident85 Ų8572.7 Ų72.739%0.39440%0.395SS..Hα-helixtrans-84.1-33.7174-69.1-61.3000112.5S182 C183 H196 R197 L198S182-H200 PolarHBondContact OG-CD2 2.89Å; S182-H200 PolarHBondContact OG-NE2 3.18Å; S182-H200 VanDerWaalsContact OG-NE2 3.12Å; C183-H200 PolarHBondContact SG-NE2 2.67Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-NE2 3.44Å; H196-H200 PolarHBondContact NE2-NE2 3.07Å; R197-H200 WeakPolarHBondContact O-CB 3.28Å; R197-H200 PolarHBondContact O-N 3.46Å; L198-H200 VanDerWaalsContact C-N 3.27Å
201T76.7Confident84.4Confident69 Ų6974.5 Ų74.542%0.42341%0.407SS..SBendtrans-91.85.4-169.156.10000114.7R197 V203R197-T201 PolarHBondContact O-N 3.34Å; T201-V203 WeakPolarHBondContact O-CG2 3.34Å; T201-V203 PolarHBondContact O-N 3.38Å
202T76.1Confident84.4Confident128 Ų12875 Ų7579%0.78541%0.412SS*.  trans50.16-170.260.70000115.5K204T202-K204 PolarHBondContact O-N 2.93Å
203V81.6Confident84.3Confident75 Ų7580.4 Ų80.446%0.45543%0.429SS..  trans-72.2122.1-179.1171.90000108.4L198 T201L198-V203 HydrophobicContact CD2-CB 4.33Å; L198-V203 HydrophobicContact CD2-CG1 4.24Å; T201-V203 WeakPolarHBondContact O-CG2 3.34Å; T201-V203 PolarHBondContact O-N 3.38Å
204K83.5Confident84.3Confident122 Ų12281.3 Ų81.353%0.5344%0.438SS..  trans-126.186.7179.5-64.9-173.9-171.8176.50108.7T202 Y206 A214 F215T202-K204 PolarHBondContact O-N 2.93Å; K204-Y206 PolarHBondContact O-N 3.26Å; K204-A214 HydrophobicContact CB-CB 3.49Å; K204-A214 VanDerWaalsContact CB-CB 3.49Å; K204-A214 HydrophobicContact CD-CB 3.98Å; K204-A214 VanDerWaalsContact CD-O 3.23Å; K204-A214 WeakPolarHBondContact CD-O 3.26Å; K204-A214 HydrophobicContact CG-CB 4.42Å; K204-F215 CarbonylContact C-O 3.45Å; K204-F215 WeakPolarHBondContact CA-O 3.49Å
205P82.4Confident84.1Confident78 Ų7878.5 Ų78.551%0.50642%0.419SS..  trans-73.9-8.2-170.428.4-31.7000113.6
206Y85.4Confident84.1Confident98 Ų9876.1 Ų76.138%0.38441%0.413SS..EExtended strand (participates in β ladder)trans-111.799.4-176.7-55.4-73.3000110K204 A214 F215 A218K204-Y206 PolarHBondContact O-N 3.26Å; Y206-A214 CarbonylContact O-C 3.44Å; Y206-A214 WeakPolarHBondContact O-CA 3.47Å; Y206-F215 PolarHBondContact N-O 3.42Å; Y206-F215 VanDerWaalsContact N-O 3.17Å; Y206-F215 PolarHBondContact O-N 2.81Å; Y206-A218 HydrophobicContact CD1-CB 3.99Å; Y206-A218 VanDerWaalsContact CD2-N 3.31Å; Y206-A218 HydrophobicContact CE1-CB 3.75Å; Y206-A218 HydrophobicContact CE2-CB 4.31Å; Y206-A218 VanDerWaalsContact CE2-N 3.35Å; Y206-A218 HydrophobicContact CG-CB 4.38Å
207A86.8Confident83.9Confident51 Ų5179.5 Ų79.542%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-94.2148.6176.600000111.8L221A207-L221 WeakPolarHBondContact O-CD2 3.48Å
208C86.6Confident83.9Confident2 Ų277.5 Ų77.51%0.01443%0.428CS..  trans-84.4122.6168.8176.20000109.8Q210 G212 R213 L221 H224 M225 H228C208-Q210 PolarHBondContact O-N 3.01Å; C208-Q210 PolarHBondContact SG-N 3.16Å; C208-Q210 VanDerWaalsContact SG-N 3.39Å; C208-G212 VanDerWaalsContact O-CA 3.23Å; C208-G212 WeakPolarHBondContact O-CA 3.43Å; C208-G212 PolarHBondContact O-N 2.93Å; C208-R213 WeakPolarHBondContact CB-O 3.22Å; C208-R213 PolarHBondContact N-O 2.92Å; C208-L221 HydrophobicContact CB-CD1 3.81Å; C208-H224 WeakPolarHBondContact CB-NE2 3.47Å; C208-M225 HydrophobicContact CB-SD 4.13Å; C208-M225 PolarHBondContact SG-SD 2.8Å; C208-H228 PolarHBondContact SG-NE2 3.18Å
209D85.4Confident84Confident152 Ų15277.9 Ų77.981%0.81343%0.434SS*.THydrogen-bonded Turntrans-67.1-22179.1-57.7-32.4000113
210Q82.9Confident84.1Confident113 Ų11376.7 Ų76.753%0.52843%0.425SS..THydrogen-bonded Turntrans-88.2-28.4-177.2-64-171.54.300114.4C208 M225C208-Q210 PolarHBondContact O-N 3.01Å; C208-Q210 PolarHBondContact SG-N 3.16Å; C208-Q210 VanDerWaalsContact SG-N 3.39Å; Q210-M225 HydrophobicContact CG-CE 4.32Å
211C86.5Confident84.2Confident65 Ų6574.1 Ų74.144%0.43941%0.414SS..THydrogen-bonded Turntrans-132.61.7-178.669.10000115R213 H224 H228C211-R213 PolarHBondContact O-N 3.43Å; C211-R213 VanDerWaalsContact O-N 3.09Å; C211-R213 WeakPolarHBondContact SG-CB 3.26Å; C211-H224 PolarHBondContact SG-NE2 3.3Å; C211-H228 PolarHBondContact SG-NE2 3.34Å; C211-H228 VanDerWaalsContact SG-NE2 3.43Å
212G86Confident84.6Confident57 Ų5776 Ų7659%0.58842%0.418SS*.  trans70.4-1.1-177.800000114.8C208 A214C208-G212 VanDerWaalsContact O-CA 3.23Å; C208-G212 WeakPolarHBondContact O-CA 3.43Å; C208-G212 PolarHBondContact O-N 2.93Å; G212-A214 PolarHBondContact O-N 3.41Å
213R86.4Confident84.9Confident159 Ų15972.1 Ų72.160%0.639%0.394SS*.  trans-67.6123.3-178.3-170.6171-177.2171.44.7110.8C208 C211 F215C208-R213 WeakPolarHBondContact CB-O 3.22Å; C208-R213 PolarHBondContact N-O 2.92Å; C211-R213 PolarHBondContact O-N 3.43Å; C211-R213 VanDerWaalsContact O-N 3.09Å; C211-R213 WeakPolarHBondContact SG-CB 3.26Å; R213-F215 HydrophobicContact CB-CE2 4.11Å; R213-F215 HydrophobicContact CB-CZ 4.32Å; R213-F215 HydrophobicContact CG-CE1 4.5Å; R213-F215 HydrophobicContact CG-CE2 3.9Å; R213-F215 HydrophobicContact CG-CZ 3.75Å; R213-F215 WeakPolarHBondContact O-CD2 3.19Å; R213-F215 VanDerWaalsContact O-CE2 3.27Å; R213-F215 WeakPolarHBondContact O-CE2 3.49Å
214A86.4Confident85.2Confident30 Ų3069.5 Ų69.525%0.24838%0.377CS..EExtended strand (participates in β ladder)trans-95.5149.1179.200000113.2K204 Y206 G212K204-A214 HydrophobicContact CB-CB 3.49Å; K204-A214 VanDerWaalsContact CB-CB 3.49Å; K204-A214 HydrophobicContact CD-CB 3.98Å; K204-A214 VanDerWaalsContact CD-O 3.23Å; K204-A214 WeakPolarHBondContact CD-O 3.26Å; K204-A214 HydrophobicContact CG-CB 4.42Å; Y206-A214 CarbonylContact O-C 3.44Å; Y206-A214 WeakPolarHBondContact O-CA 3.47Å; G212-A214 PolarHBondContact O-N 3.41Å
215F83.2Confident85.1Confident29 Ų2965.4 Ų65.413%0.12736%0.36CS..EExtended strand (participates in β ladder)trans-133152.1-178.4-59.1-89.5000111.4K204 Y206 R213 N220 L221 H224K204-F215 CarbonylContact C-O 3.45Å; K204-F215 WeakPolarHBondContact CA-O 3.49Å; Y206-F215 PolarHBondContact N-O 3.42Å; Y206-F215 VanDerWaalsContact N-O 3.17Å; Y206-F215 PolarHBondContact O-N 2.81Å; R213-F215 HydrophobicContact CB-CE2 4.11Å; R213-F215 HydrophobicContact CB-CZ 4.32Å; R213-F215 HydrophobicContact CG-CE1 4.5Å; R213-F215 HydrophobicContact CG-CE2 3.9Å; R213-F215 HydrophobicContact CG-CZ 3.75Å; R213-F215 WeakPolarHBondContact O-CD2 3.19Å; R213-F215 VanDerWaalsContact O-CE2 3.27Å; R213-F215 WeakPolarHBondContact O-CE2 3.49Å; F215-N220 HydrophobicContact CB-CB 4.27Å; F215-N220 HydrophobicContact CD1-CB 3.92Å; F215-N220 HydrophobicContact CG-CB 4.32Å; F215-L221 HydrophobicContact CB-CB 4.47Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 3.9Å; F215-L221 HydrophobicContact CE2-CD1 4.07Å; F215-L221 HydrophobicContact CG-CB 4.42Å; F215-H224 HydrophobicContact CE1-CB 4.02Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.21Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.6Å; F215-H224 AromaticContact CE2-NE2 3.87Å; F215-H224 HydrophobicContact CZ-CB 3.41Å; F215-H224 VanDerWaalsContact CZ-CB 3.41Å; F215-H224 AromaticContact CZ-CD2 3.37Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.22Å; F215-H224 AromaticContact CZ-CG 3.25Å; F215-H224 AromaticContact CZ-ND1 3.87Å; F215-H224 AromaticContact CZ-NE2 3.95Å
216N83.5Confident85.1Confident44 Ų4464.9 Ų64.924%0.23535%0.348CS..SBendtrans-87.8-1.2175.664.6-2.9000113.8L198L198-N216 HydrophobicContact CB-CB 4.38Å
217R84.5Confident84.9Confident95 Ų9563.8 Ų63.836%0.35835%0.352SS..  trans-141.3133.5-179.7-66.3179.767169-2.3110.7R195 S219 N220 L221R195-R217 HydrophobicContact CG-CG 4.35Å; R217-S219 VanDerWaalsContact C-N 3.27Å; R217-S219 PolarHBondContact NE-OG 3.22Å; R217-S219 PolarHBondContact NH2-OG 3.32Å; R217-S219 PolarHBondContact O-N 2.97Å; R217-N220 HydrophobicContact CB-CB 4.1Å; R217-N220 WeakPolarHBondContact O-CB 3.27Å; R217-N220 PolarHBondContact O-N 3.19Å; R217-L221 PolarHBondContact O-N 3.35Å; R217-L221 VanDerWaalsContact O-N 3.13Å
218A85.7Confident84.7Confident50 Ų5064.3 Ų64.341%0.41335%0.345SS..Hα-helixtrans-57.9-39.3172.600000112.4Y206 N220 L221 H222Y206-A218 HydrophobicContact CD1-CB 3.99Å; Y206-A218 VanDerWaalsContact CD2-N 3.31Å; Y206-A218 HydrophobicContact CE1-CB 3.75Å; Y206-A218 HydrophobicContact CE2-CB 4.31Å; Y206-A218 VanDerWaalsContact CE2-N 3.35Å; Y206-A218 HydrophobicContact CG-CB 4.38Å; A218-N220 PolarHBondContact O-N 3.19Å; A218-L221 PolarHBondContact O-N 3.46Å; A218-H222 PolarHBondContact O-N 2.95Å
219S85.6Confident83.9Confident53 Ų5365.6 Ų65.637%0.37135%0.354SS..Hα-helixtrans-58.6-36.1175.559.60000112.6R217 T223R217-S219 VanDerWaalsContact C-N 3.27Å; R217-S219 PolarHBondContact NE-OG 3.22Å; R217-S219 PolarHBondContact NH2-OG 3.32Å; R217-S219 PolarHBondContact O-N 2.97Å; S219-T223 WeakPolarHBondContact O-CG2 3.46Å; S219-T223 PolarHBondContact O-N 3.13Å; S219-T223 PolarHBondContact O-OG1 2.97Å
220N86.6Confident83.1Confident55 Ų5567.1 Ų67.129%0.29436%0.356SS..Hα-helixtrans-75.3-40.5-179-66.414.1000110.6F215 R217 A218 T223 H224F215-N220 HydrophobicContact CB-CB 4.27Å; F215-N220 HydrophobicContact CD1-CB 3.92Å; F215-N220 HydrophobicContact CG-CB 4.32Å; R217-N220 HydrophobicContact CB-CB 4.1Å; R217-N220 WeakPolarHBondContact O-CB 3.27Å; R217-N220 PolarHBondContact O-N 3.19Å; A218-N220 PolarHBondContact O-N 3.19Å; N220-T223 WeakPolarHBondContact CA-OG1 3.46Å; N220-T223 PolarHBondContact O-N 3.29Å; N220-T223 PolarHBondContact O-OG1 3.02Å; N220-H224 VanDerWaalsContact O-CB 3.29Å; N220-H224 WeakPolarHBondContact O-CB 3.49Å; N220-H224 PolarHBondContact O-N 2.71Å
221L87.3Confident82.5Confident31 Ų3167 Ų6716%0.16235%0.354CS..Hα-helixtrans-57.2-51.4170.2174.361.3000110.1A207 C208 F215 R217 A218 T223 H224 M225A207-L221 WeakPolarHBondContact O-CD2 3.48Å; C208-L221 HydrophobicContact CB-CD1 3.81Å; F215-L221 HydrophobicContact CB-CB 4.47Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 3.9Å; F215-L221 HydrophobicContact CE2-CD1 4.07Å; F215-L221 HydrophobicContact CG-CB 4.42Å; R217-L221 PolarHBondContact O-N 3.35Å; R217-L221 VanDerWaalsContact O-N 3.13Å; A218-L221 PolarHBondContact O-N 3.46Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.41Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 WeakPolarHBondContact O-CA 3.39Å; L221-H224 WeakPolarHBondContact O-CB 3.43Å; L221-H224 PolarHBondContact O-N 3.37Å; L221-M225 HydrophobicContact CD1-CG 4.28Å; L221-M225 HydrophobicContact CD1-SD 3.68Å; L221-M225 HydrophobicContact CG-CG 4.44Å; L221-M225 HydrophobicContact CG-SD 4.41Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.36Å; L221-M225 PolarHBondContact O-N 2.87Å
222H84.4Confident82.1Confident108 Ų10870.2 Ų70.250%0.536%0.357SS..Hα-helixtrans-57.2-43.7178.9178.578.4000112.5A218 H224 M225 R226A218-H222 PolarHBondContact O-N 2.95Å; H222-H224 VanDerWaalsContact C-N 3.31Å; H222-H224 PolarHBondContact O-N 3.46Å; H222-M225 PolarHBondContact O-N 3.28Å; H222-R226 PolarHBondContact NE2-NH2 3.5Å; H222-R226 VanDerWaalsContact NE2-NH2 3.13Å
223T83.5Confident81.8Confident48 Ų4870 Ų7029%0.29435%0.345SS..Hα-helixtrans-66.3-34.717552.50000112.8S219 N220 L221 R226S219-T223 WeakPolarHBondContact O-CG2 3.46Å; S219-T223 PolarHBondContact O-N 3.13Å; S219-T223 PolarHBondContact O-OG1 2.97Å; N220-T223 WeakPolarHBondContact CA-OG1 3.46Å; N220-T223 PolarHBondContact O-N 3.29Å; N220-T223 PolarHBondContact O-OG1 3.02Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.41Å; T223-R226 VanDerWaalsContact O-CB 3.32Å; T223-R226 WeakPolarHBondContact O-CB 3.49Å; T223-R226 PolarHBondContact O-N 2.76Å
224H86Confident81.7Confident19 Ų1965.1 Ų65.19%0.08833%0.328CS..Hα-helixtrans-69.2-34.7175.116563.2000112.2C208 C211 F215 N220 L221 H222 R226 T227 H228C208-H224 WeakPolarHBondContact CB-NE2 3.47Å; C211-H224 PolarHBondContact SG-NE2 3.3Å; F215-H224 HydrophobicContact CE1-CB 4.02Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.21Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.6Å; F215-H224 AromaticContact CE2-NE2 3.87Å; F215-H224 HydrophobicContact CZ-CB 3.41Å; F215-H224 VanDerWaalsContact CZ-CB 3.41Å; F215-H224 AromaticContact CZ-CD2 3.37Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.22Å; F215-H224 AromaticContact CZ-CG 3.25Å; F215-H224 AromaticContact CZ-ND1 3.87Å; F215-H224 AromaticContact CZ-NE2 3.95Å; N220-H224 VanDerWaalsContact O-CB 3.29Å; N220-H224 WeakPolarHBondContact O-CB 3.49Å; N220-H224 PolarHBondContact O-N 2.71Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 WeakPolarHBondContact O-CA 3.39Å; L221-H224 WeakPolarHBondContact O-CB 3.43Å; L221-H224 PolarHBondContact O-N 3.37Å; H222-H224 VanDerWaalsContact C-N 3.31Å; H222-H224 PolarHBondContact O-N 3.46Å; H224-R226 PolarHBondContact O-N 3.4Å; H224-T227 PolarHBondContact ND1-OG1 2.97Å; H224-T227 WeakPolarHBondContact O-CB 3.27Å; H224-T227 PolarHBondContact O-N 2.99Å; H224-T227 PolarHBondContact O-OG1 2.93Å; H224-H228 AromaticContact CE1-NE2 3.33Å; H224-H228 PolarHBondContact CE1-NE2 3.3Å; H224-H228 VanDerWaalsContact CE1-NE2 3.33Å; H224-H228 AromaticContact NE2-CD2 3.94Å; H224-H228 AromaticContact NE2-NE2 3.25Å; H224-H228 PolarHBondContact NE2-NE2 3.17Å
225M83.1Confident81.7Confident37 Ų3766.4 Ų66.418%0.18234%0.339CS..Hα-helixtrans-58.3-25.7174.4-59.4-44.5-75.100112.2M98 C208 Q210 L221 H222 T227 H228 C229M98-M225 HydrophobicContact CE-CE 3.22Å; M98-M225 HydrophobicContact SD-CE 4.35Å; C208-M225 HydrophobicContact CB-SD 4.13Å; C208-M225 PolarHBondContact SG-SD 2.8Å; Q210-M225 HydrophobicContact CG-CE 4.32Å; L221-M225 HydrophobicContact CD1-CG 4.28Å; L221-M225 HydrophobicContact CD1-SD 3.68Å; L221-M225 HydrophobicContact CG-CG 4.44Å; L221-M225 HydrophobicContact CG-SD 4.41Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.36Å; L221-M225 PolarHBondContact O-N 2.87Å; H222-M225 PolarHBondContact O-N 3.28Å; M225-T227 PolarHBondContact O-N 3.32Å; M225-H228 PolarHBondContact O-N 3.35Å; M225-C229 PolarHBondContact O-N 3.31Å
226R81.3Confident81.9Confident67 Ų6765.2 Ų65.225%0.25333%0.334SS..Hα-helixtrans-68.9-20.5173.3-53.8179.3-175.1-164.5-4.4113.3H222 T223 H224 H228 C229 N244H222-R226 PolarHBondContact NE2-NH2 3.5Å; H222-R226 VanDerWaalsContact NE2-NH2 3.13Å; T223-R226 VanDerWaalsContact O-CB 3.32Å; T223-R226 WeakPolarHBondContact O-CB 3.49Å; T223-R226 PolarHBondContact O-N 2.76Å; H224-R226 PolarHBondContact O-N 3.4Å; R226-H228 VanDerWaalsContact C-N 3.3Å; R226-C229 PolarHBondContact O-N 3.39Å; R226-N244 PolarHBondContact O-ND2 2.64Å
227T81.9Confident82Confident75 Ų7569.9 Ų69.946%0.4636%0.364SS..Hα-helixtrans-76.5-22.3174.966.50000112.2H224 M225H224-T227 PolarHBondContact ND1-OG1 2.97Å; H224-T227 WeakPolarHBondContact O-CB 3.27Å; H224-T227 PolarHBondContact O-N 2.99Å; H224-T227 PolarHBondContact O-OG1 2.93Å; M225-T227 PolarHBondContact O-N 3.32Å
228H81.2Confident82Confident62 Ų6272.4 Ų72.429%0.28738%0.38SS..Hα-helixtrans-79.8-23.6172.1-68.9-63.8000112.8C208 C211 H224 M225 R226C208-H228 PolarHBondContact SG-NE2 3.18Å; C211-H228 PolarHBondContact SG-NE2 3.34Å; C211-H228 VanDerWaalsContact SG-NE2 3.43Å; H224-H228 AromaticContact CE1-NE2 3.33Å; H224-H228 PolarHBondContact CE1-NE2 3.3Å; H224-H228 VanDerWaalsContact CE1-NE2 3.33Å; H224-H228 AromaticContact NE2-CD2 3.94Å; H224-H228 AromaticContact NE2-NE2 3.25Å; H224-H228 PolarHBondContact NE2-NE2 3.17Å; M225-H228 PolarHBondContact O-N 3.35Å; R226-H228 VanDerWaalsContact C-N 3.3Å
229C71.2Confident82.1Confident28 Ų2873.1 Ų73.119%0.18938%0.38CS..SBendtrans-88.9130.7175-155.80000109.6M225 R226 F231M225-C229 PolarHBondContact O-N 3.31Å; R226-C229 PolarHBondContact O-N 3.39Å; C229-F231 HydrophobicContact CB-CB 4.2Å; C229-F231 PolarHBondContact O-N 3.37Å; C229-F231 WeakPolarHBondContact SG-CB 3.31Å
230H68.3Low82Confident185 Ų18573.2 Ų73.286%0.85639%0.39SS*.  trans-70-2.6166.4-61.9-66.1000112.3R232H230-R232 PolarHBondContact O-N 3.12Å
231F70.7Confident82Confident110 Ų11076.5 Ų76.548%0.48240%0.402SS..  trans-70.9113.2174.2-172.2-106.9000111.5W99 C229 P233W99-F231 AromaticContact CH2-CD1 3.3Å; W99-F231 HydrophobicContact CH2-CD1 3.3Å; W99-F231 AromaticContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CG 4.44Å; W99-F231 HydrophobicContact CH2-CZ 4.41Å; W99-F231 AromaticContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CE1 4.08Å; W99-F231 HydrophobicContact CZ2-CG 4.48Å; W99-F231 HydrophobicContact CZ3-CD1 4.33Å; W99-F231 AromaticContact CZ3-CE1 3.93Å; W99-F231 HydrophobicContact CZ3-CE1 3.93Å; C229-F231 HydrophobicContact CB-CB 4.2Å; C229-F231 PolarHBondContact O-N 3.37Å; C229-F231 WeakPolarHBondContact SG-CB 3.31Å; F231-P233 HydrophobicContact CD1-CB 4.35Å; F231-P233 HydrophobicContact CE1-CB 3.78Å; F231-P233 HydrophobicContact CE1-CG 4.42Å; F231-P233 HydrophobicContact CZ-CB 4.49Å; F231-P233 VanDerWaalsContact O-CD 3.24Å; F231-P233 WeakPolarHBondContact O-CD 3.35Å
232R77.9Confident82Confident132 Ų13275.7 Ų75.750%0.49840%0.401SS..  trans-107.589.8-179.4-78.2164.7176.6-97.1-1.1109.4H230 F234 G242 F243 N244H230-R232 PolarHBondContact O-N 3.12Å; R232-F234 PolarHBondContact O-N 2.85Å; R232-F234 VanDerWaalsContact O-N 3.14Å; R232-G242 WeakPolarHBondContact CD-O 3.08Å; R232-G242 PolarHBondContact NH1-O 2.84Å; R232-F243 CarbonylContact C-O 3.47Å; R232-N244 WeakPolarHBondContact CG-OD1 3.44Å
233P79.4Confident81.9Confident54 Ų5471.7 Ų71.735%0.35138%0.382SS..  trans-66.5-16.8-171.623.5-33.3000114.4F231F231-P233 HydrophobicContact CD1-CB 4.35Å; F231-P233 HydrophobicContact CE1-CB 3.78Å; F231-P233 HydrophobicContact CE1-CG 4.42Å; F231-P233 HydrophobicContact CZ-CB 4.49Å; F231-P233 VanDerWaalsContact O-CD 3.24Å; F231-P233 WeakPolarHBondContact O-CD 3.35Å
234F84.2Confident81.8Confident56 Ų5670.4 Ų70.425%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-109.896.6-176-57.2-68.7000109.7R232 G242 F243 K246 L249R232-F234 PolarHBondContact O-N 2.85Å; R232-F234 VanDerWaalsContact O-N 3.14Å; F234-G242 CarbonylContact O-C 3.52Å; F234-F243 HydrophobicContact CB-CB 4.29Å; F234-F243 PolarHBondContact N-O 3.33Å; F234-F243 WeakPolarHBondContact O-CD2 3.45Å; F234-F243 PolarHBondContact O-N 3Å; F234-K246 HydrophobicContact CD1-CB 4.4Å; F234-K246 HydrophobicContact CE1-CB 4.17Å; F234-K246 HydrophobicContact CE2-CB 4.41Å; F234-K246 HydrophobicContact CZ-CB 4.18Å; F234-L249 HydrophobicContact CB-CB 4.08Å; F234-L249 HydrophobicContact CB-CD2 3.81Å
235A85.4Confident81.7Confident57 Ų5772.6 Ų72.647%0.47138%0.384SS..EExtended strand (participates in β ladder)trans-96.1143.517700000111.7K241A235-K241 WeakPolarHBondContact CA-O 3.26Å
236C88Confident81.8Confident4 Ų477.1 Ų77.13%0.02740%0.402CS..  trans-71.9131.8168.4-174.40000110.5H238 G240 K241 L249 H252 N253 H256C236-H238 VanDerWaalsContact C-N 3.3Å; C236-H238 PolarHBondContact SG-N 3.18Å; C236-G240 WeakPolarHBondContact O-CA 3.45Å; C236-G240 PolarHBondContact O-N 2.88Å; C236-K241 PolarHBondContact N-O 3.15Å; C236-L249 HydrophobicContact CB-CD1 3.94Å; C236-H252 VanDerWaalsContact CB-CD2 3.49Å; C236-H252 WeakPolarHBondContact CB-CD2 3.3Å; C236-H252 VanDerWaalsContact CB-NE2 3.27Å; C236-H252 WeakPolarHBondContact CB-NE2 3.5Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C236-N253 PolarHBondContact SG-OD1 3.4Å; C236-H256 PolarHBondContact SG-CD2 2.97Å; C236-H256 PolarHBondContact SG-NE2 3.43Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å
237V85.8Confident82.1Confident141 Ų14179.1 Ų79.186%0.85542%0.422SS*.THydrogen-bonded Turntrans-70.5-29176.3-176.70000111.5
238H83.6Confident82.4Confident149 Ų14978.8 Ų78.869%0.6942%0.417SS*.THydrogen-bonded Turntrans-82.6-35.6-176.2-62.5-64.4000113.8C236C236-H238 VanDerWaalsContact C-N 3.3Å; C236-H238 PolarHBondContact SG-N 3.18Å
239C88.4Confident82.8Confident64 Ų6477 Ų7743%0.43241%0.41SS..THydrogen-bonded Turntrans-125.9-0.5-177.671.80000115.2K241 H252 H256C239-K241 PolarHBondContact O-N 2.93Å; C239-K241 VanDerWaalsContact O-N 3.13Å; C239-K241 WeakPolarHBondContact SG-CB 3.4Å; C239-H252 PolarHBondContact SG-CE1 3.21Å; C239-H252 PolarHBondContact SG-NE2 3.45Å; C239-H256 PolarHBondContact SG-NE2 3.19Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å
240G84.6Confident83.7Confident56 Ų5681.5 Ų81.558%0.57743%0.426SS*.  trans72.3-1.8-179.300000115.3C236 G242C236-G240 WeakPolarHBondContact O-CA 3.45Å; C236-G240 PolarHBondContact O-N 2.88Å; G240-G242 PolarHBondContact O-N 3.46Å
241K86.3Confident84.7Confident123 Ų12378.6 Ų78.654%0.53542%0.416SS..  trans-64.8123.6-178.9-166.7169.1-175.81730110.9A235 C236 C239 F243A235-K241 WeakPolarHBondContact CA-O 3.26Å; C236-K241 PolarHBondContact N-O 3.15Å; C239-K241 PolarHBondContact O-N 2.93Å; C239-K241 VanDerWaalsContact O-N 3.13Å; C239-K241 WeakPolarHBondContact SG-CB 3.4Å; K241-F243 HydrophobicContact CB-CE2 4.07Å; K241-F243 HydrophobicContact CB-CZ 4.24Å; K241-F243 HydrophobicContact CD-CZ 3.92Å; K241-F243 HydrophobicContact CG-CE2 4.1Å; K241-F243 HydrophobicContact CG-CZ 3.88Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.42Å
242G85.8Confident85.6Confident14 Ų1475 Ų7514%0.14440%0.401CS..EExtended strand (participates in β ladder)trans-83.5147.8177.700000113.2R232 F234 G240R232-G242 WeakPolarHBondContact CD-O 3.08Å; R232-G242 PolarHBondContact NH1-O 2.84Å; F234-G242 CarbonylContact O-C 3.52Å; G240-G242 PolarHBondContact O-N 3.46Å
243F83.9Confident86Confident24 Ų2471.8 Ų71.811%0.10539%0.393CS..EExtended strand (participates in β ladder)trans-134.1151.8176.8-60-88.1000111.8R232 F234 K241 D248 L249 H252R232-F243 CarbonylContact C-O 3.47Å; F234-F243 HydrophobicContact CB-CB 4.29Å; F234-F243 PolarHBondContact N-O 3.33Å; F234-F243 WeakPolarHBondContact O-CD2 3.45Å; F234-F243 PolarHBondContact O-N 3Å; K241-F243 HydrophobicContact CB-CE2 4.07Å; K241-F243 HydrophobicContact CB-CZ 4.24Å; K241-F243 HydrophobicContact CD-CZ 3.92Å; K241-F243 HydrophobicContact CG-CE2 4.1Å; K241-F243 HydrophobicContact CG-CZ 3.88Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.42Å; F243-D248 HydrophobicContact CB-CB 4.1Å; F243-D248 HydrophobicContact CD1-CB 3.59Å; F243-D248 HydrophobicContact CE1-CB 4.39Å; F243-D248 HydrophobicContact CG-CB 4.1Å; F243-L249 HydrophobicContact CB-CB 4.37Å; F243-L249 HydrophobicContact CD2-CB 3.98Å; F243-L249 HydrophobicContact CD2-CD1 3.87Å; F243-L249 HydrophobicContact CE2-CD1 4.06Å; F243-L249 HydrophobicContact CG-CB 4.32Å; F243-H252 HydrophobicContact CE1-CB 3.99Å; F243-H252 HydrophobicContact CE2-CB 3.86Å; F243-H252 AromaticContact CE2-CD2 3.38Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.36Å; F243-H252 AromaticContact CE2-CG 3.61Å; F243-H252 HydrophobicContact CZ-CB 3.39Å; F243-H252 AromaticContact CZ-CD2 3.53Å; F243-H252 AromaticContact CZ-CG 3.24Å; F243-H252 AromaticContact CZ-ND1 3.75Å
244N80.8Confident86.4Confident22 Ų2276.1 Ų76.112%0.11841%0.407CS..SBendtrans-84.9-25.2179-70.1-12.9000112.5R226 R232R226-N244 PolarHBondContact O-ND2 2.64Å; R232-N244 WeakPolarHBondContact CG-OD1 3.44Å
245H83.2Confident86.3Confident65 Ų6576.2 Ų76.230%0.30142%0.418SS..SBendtrans-124.4146.9178.5-53.3-94.4000112.3V247 D248 L249H245-V247 VanDerWaalsContact C-N 3.25Å; H245-V247 PolarHBondContact O-N 2.95Å; H245-D248 WeakPolarHBondContact CB-OD2 3.2Å; H245-D248 IonicContact CD2-OD2 3.76Å; H245-D248 PolarHBondContact CD2-OD2 3.13Å; H245-D248 IonicContact CG-OD2 3.41Å; H245-D248 PolarHBondContact O-N 2.76Å; H245-L249 PolarHBondContact O-N 3.35Å
246K86.8Confident86.1Confident132 Ų13275.6 Ų75.657%0.57441%0.405SS*.Hα-helixtrans-64.1-29.6176.9-172.3174.3-175.6173.30112.9F234 K250F234-K246 HydrophobicContact CD1-CB 4.4Å; F234-K246 HydrophobicContact CE1-CB 4.17Å; F234-K246 HydrophobicContact CE2-CB 4.41Å; F234-K246 HydrophobicContact CZ-CB 4.18Å; K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 3.02Å
247V87.6Confident85.5Confident109 Ų10978.7 Ų78.766%0.66143%0.431SS*.Hα-helixtrans-66.8-42.8178.2-178.90000110.3H245 L249 K250 L251H245-V247 VanDerWaalsContact C-N 3.25Å; H245-V247 PolarHBondContact O-N 2.95Å; V247-L249 PolarHBondContact O-N 3.43Å; V247-K250 WeakPolarHBondContact O-CB 3.48Å; V247-K250 PolarHBondContact O-N 3.44Å; V247-K250 VanDerWaalsContact O-N 3.17Å; V247-L251 PolarHBondContact O-N 2.75Å
248D88.1Confident84.8Confident67 Ų6775.6 Ų75.636%0.35842%0.421SS..Hα-helixtrans-62.9-42.9177.9-49.5-27.4000111.1F243 H245 K250 L251 H252F243-D248 HydrophobicContact CB-CB 4.1Å; F243-D248 HydrophobicContact CD1-CB 3.59Å; F243-D248 HydrophobicContact CE1-CB 4.39Å; F243-D248 HydrophobicContact CG-CB 4.1Å; H245-D248 WeakPolarHBondContact CB-OD2 3.2Å; H245-D248 IonicContact CD2-OD2 3.76Å; H245-D248 PolarHBondContact CD2-OD2 3.13Å; H245-D248 IonicContact CG-OD2 3.41Å; H245-D248 PolarHBondContact O-N 2.76Å; D248-K250 PolarHBondContact O-N 2.99Å; D248-L251 PolarHBondContact O-N 2.93Å; D248-H252 VanDerWaalsContact O-CB 3.24Å; D248-H252 WeakPolarHBondContact O-CB 3.36Å; D248-H252 PolarHBondContact O-N 3.42Å
249L89.4Confident83.7Confident26 Ų2672.4 Ų72.414%0.13642%0.415CS..Hα-helixtrans-61.1-43.1173.9174.762.1000111.7F234 C236 F243 H245 V247 H252 N253F234-L249 HydrophobicContact CB-CB 4.08Å; F234-L249 HydrophobicContact CB-CD2 3.81Å; C236-L249 HydrophobicContact CB-CD1 3.94Å; F243-L249 HydrophobicContact CB-CB 4.37Å; F243-L249 HydrophobicContact CD2-CB 3.98Å; F243-L249 HydrophobicContact CD2-CD1 3.87Å; F243-L249 HydrophobicContact CE2-CD1 4.06Å; F243-L249 HydrophobicContact CG-CB 4.32Å; H245-L249 PolarHBondContact O-N 3.35Å; V247-L249 PolarHBondContact O-N 3.43Å; L249-H252 PolarHBondContact O-N 2.8Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.44Å; L249-N253 PolarHBondContact O-OD1 3.41Å
250K89.5Confident81.9Confident122 Ų12274.7 Ų74.753%0.5343%0.43SS..Hα-helixtrans-61.6-48176.5-78.7-174.3174.5-167.20111.6K246 V247 D248 H252 N253 F254K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 3.02Å; V247-K250 WeakPolarHBondContact O-CB 3.48Å; V247-K250 PolarHBondContact O-N 3.44Å; V247-K250 VanDerWaalsContact O-N 3.17Å; D248-K250 PolarHBondContact O-N 2.99Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.19Å; K250-N253 PolarHBondContact O-N 2.84Å; K250-F254 WeakPolarHBondContact O-CD2 3.31Å; K250-F254 PolarHBondContact O-N 3.28Å
251L88.9Confident79.8Confident123 Ų12381.4 Ų81.464%0.64446%0.46SS*.Hα-helixtrans-59.7-42.3178.1-174.164.3000111.2V247 D248 F254 A255V247-L251 PolarHBondContact O-N 2.75Å; D248-L251 PolarHBondContact O-N 2.93Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; L251-F254 PolarHBondContact O-N 2.81Å; L251-A255 PolarHBondContact O-N 3.35Å
252H89.2Confident79.5Confident35 Ų3579.3 Ų79.316%0.16246%0.456CS..Hα-helixtrans-64.5-40.5174.7170.368.5000113C236 C239 F243 D248 L249 K250 F254 A255 H256C236-H252 VanDerWaalsContact CB-CD2 3.49Å; C236-H252 WeakPolarHBondContact CB-CD2 3.3Å; C236-H252 VanDerWaalsContact CB-NE2 3.27Å; C236-H252 WeakPolarHBondContact CB-NE2 3.5Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C239-H252 PolarHBondContact SG-CE1 3.21Å; C239-H252 PolarHBondContact SG-NE2 3.45Å; F243-H252 HydrophobicContact CE1-CB 3.99Å; F243-H252 HydrophobicContact CE2-CB 3.86Å; F243-H252 AromaticContact CE2-CD2 3.38Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.36Å; F243-H252 AromaticContact CE2-CG 3.61Å; F243-H252 HydrophobicContact CZ-CB 3.39Å; F243-H252 AromaticContact CZ-CD2 3.53Å; F243-H252 AromaticContact CZ-CG 3.24Å; F243-H252 AromaticContact CZ-ND1 3.75Å; D248-H252 VanDerWaalsContact O-CB 3.24Å; D248-H252 WeakPolarHBondContact O-CB 3.36Å; D248-H252 PolarHBondContact O-N 3.42Å; L249-H252 PolarHBondContact O-N 2.8Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.19Å; H252-F254 VanDerWaalsContact C-N 3.28Å; H252-F254 PolarHBondContact O-N 3.14Å; H252-A255 WeakPolarHBondContact O-CA 3.26Å; H252-A255 VanDerWaalsContact O-CB 3.3Å; H252-A255 WeakPolarHBondContact O-CB 3.38Å; H252-A255 PolarHBondContact O-N 3.5Å; H252-H256 AromaticContact CE1-CD2 3.77Å; H252-H256 AromaticContact CE1-NE2 3.3Å; H252-H256 PolarHBondContact CE1-NE2 2.91Å; H252-H256 VanDerWaalsContact CE1-NE2 3.3Å; H252-H256 AromaticContact NE2-CD2 3.49Å; H252-H256 PolarHBondContact NE2-CD2 2.99Å; H252-H256 AromaticContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact NE2-NE2 2.73Å; H252-H256 VanDerWaalsContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact O-N 2.99Å
253N87.3Confident79.1Confident64 Ų6482.7 Ų82.734%0.34247%0.472SS..Hα-helixtrans-65.1-32.1175.1-71.3-9000112.1C236 L249 K250 A255 H256 A257C236-N253 PolarHBondContact SG-OD1 3.4Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.44Å; L249-N253 PolarHBondContact O-OD1 3.41Å; K250-N253 PolarHBondContact O-N 2.84Å; N253-A255 VanDerWaalsContact C-N 3.28Å; N253-A255 PolarHBondContact O-N 2.81Å; N253-H256 WeakPolarHBondContact O-CB 3.43Å; N253-H256 PolarHBondContact O-N 3.22Å; N253-A257 PolarHBondContact O-N 2.84Å
254F86.9Confident78.9Confident146 Ų14686 Ų8664%0.6449%0.493SS*.Hα-helixtrans-63.3-35.3170.4-74.3-66.5000112K250 L251 H252 H256 A257 A258K250-F254 WeakPolarHBondContact O-CD2 3.31Å; K250-F254 PolarHBondContact O-N 3.28Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; L251-F254 PolarHBondContact O-N 2.81Å; H252-F254 VanDerWaalsContact C-N 3.28Å; H252-F254 PolarHBondContact O-N 3.14Å; F254-H256 VanDerWaalsContact C-N 3.33Å; F254-H256 PolarHBondContact O-N 2.87Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.4Å
255A83.3Confident78.8Confident57 Ų5789.8 Ų89.847%0.47152%0.515SS..Hα-helixtrans-65-36.2174.600000112.2L251 H252 N253 A258 S259L251-A255 PolarHBondContact O-N 3.35Å; H252-A255 WeakPolarHBondContact O-CA 3.26Å; H252-A255 VanDerWaalsContact O-CB 3.3Å; H252-A255 WeakPolarHBondContact O-CB 3.38Å; H252-A255 PolarHBondContact O-N 3.5Å; N253-A255 VanDerWaalsContact C-N 3.28Å; N253-A255 PolarHBondContact O-N 2.81Å; A255-A258 PolarHBondContact O-N 3.32Å; A255-S259 PolarHBondContact O-N 3.46Å; A255-S259 PolarHBondContact O-OG 3.18Å
256H80.8Confident78.5Confident44 Ų4491.3 Ų91.320%0.20453%0.528CS..Hα-helixtrans-63.7-42.4170.9-79.8-59.1000112.7C236 C239 H252 N253 F254 A258 S259C236-H256 PolarHBondContact SG-CD2 2.97Å; C236-H256 PolarHBondContact SG-NE2 3.43Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å; C239-H256 PolarHBondContact SG-NE2 3.19Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å; H252-H256 AromaticContact CE1-CD2 3.77Å; H252-H256 AromaticContact CE1-NE2 3.3Å; H252-H256 PolarHBondContact CE1-NE2 2.91Å; H252-H256 VanDerWaalsContact CE1-NE2 3.3Å; H252-H256 AromaticContact NE2-CD2 3.49Å; H252-H256 PolarHBondContact NE2-CD2 2.99Å; H252-H256 AromaticContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact NE2-NE2 2.73Å; H252-H256 VanDerWaalsContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact O-N 2.99Å; N253-H256 WeakPolarHBondContact O-CB 3.43Å; N253-H256 PolarHBondContact O-N 3.22Å; F254-H256 VanDerWaalsContact C-N 3.33Å; F254-H256 PolarHBondContact O-N 2.87Å; H256-A258 VanDerWaalsContact C-N 3.27Å; H256-A258 PolarHBondContact O-N 3Å; H256-S259 WeakPolarHBondContact CA-OG 3.1Å; H256-S259 PolarHBondContact O-N 3.05Å; H256-S259 PolarHBondContact O-OG 2.85Å
257A75.8Confident77.9Confident70 Ų7088.6 Ų88.658%0.57953%0.525SS*.Hα-helixtrans-66-32.4176.700000112.2N253 F254N253-A257 PolarHBondContact O-N 2.84Å; F254-A257 PolarHBondContact O-N 3.31Å
258A70.1Confident77.2Confident76 Ų7687.1 Ų87.163%0.62852%0.515SS*.Hα-helixtrans-78.3-18.7176.800000113.6F254 A255 H256F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.4Å; A255-A258 PolarHBondContact O-N 3.32Å; H256-A258 VanDerWaalsContact C-N 3.27Å; H256-A258 PolarHBondContact O-N 3Å
259S60.4Low76.4Confident81 Ų8188.7 Ų88.757%0.56653%0.527SS*.THydrogen-bonded Turntrans-90.76.6177.761.20000114.6A255 H256A255-S259 PolarHBondContact O-N 3.46Å; A255-S259 PolarHBondContact O-OG 3.18Å; H256-S259 WeakPolarHBondContact CA-OG 3.1Å; H256-S259 PolarHBondContact O-N 3.05Å; H256-S259 PolarHBondContact O-OG 2.85Å
260C50.9Low75.3Confident113 Ų11393.9 Ų93.976%0.76456%0.56SS**  trans-111.132.1178.6-76.40000113.7
261V40.7Very low74Confident196 Ų19691.4 Ų91.4100%1.18856%0.563SS**  trans-1180165.2-176.10000107.7

Retrieved 261 of 261 residues in 42.4 ms (Link to these results)