A0A077ZA85_TRITR Loading...

E2F associated phosphoprotein

AlphaFold DB , UniProt , Accession A0A077ZA85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M41.6Very low58Low246 Ų246170.8 Ų170.8100%1.21286%0.863SS**  0129.50-76.2153.2173.300107.4R3M1-R3 PolarHBondContact O-N 3.48Å
2K57.1Low58.1Low210 Ų210174.9 Ų174.991%0.91386%0.863SS**  trans-67.3127.5-166.9-67.5176.6177.3176.90110.5
3R54.3Low58.5Low243 Ų243174.8 Ų174.892%0.91786%0.859SS**  trans-80.4113.5175.2-166.2177.2-156.7151.73.6107.4M1M1-R3 PolarHBondContact O-N 3.48Å
4L62.7Low58.4Low166 Ų166177 Ų17787%0.86986%0.855SS**PPolyproline II helixtrans-85.6131.4169.5-75.6160.1000107.7
5E68.5Low58.1Low173 Ų173169 Ų16981%0.80884%0.837SS**PPolyproline II helixtrans-79.6148175.4-60.5-145.5138.600110.7
6P66.2Low57.9Low127 Ų127172.1 Ų172.183%0.82584%0.838SS**PPolyproline II helixtrans-72.8132.1176.913.4-3.8000111
7I62.5Low57.3Low165 Ų165166.6 Ų166.685%0.84684%0.836SS**PPolyproline II helixtrans-59.1132.6174-71.6160000109.7
8G56.9Low56.8Low58 Ų58163.7 Ų163.760%0.59883%0.834SS**PPolyproline II helixtrans-62.9154.5179.200000113D10G8-D10 PolarHBondContact O-N 3.41Å
9R52.9Low56.9Low249 Ų249163.5 Ų163.594%0.9484%0.835SS**  trans-63.7114.4178-64.6171.2-176.6173.1-1.4110
10D53.4Low56.8Low149 Ų149164.4 Ų164.480%0.79784%0.836SS**  trans-86.9123.2163.3-72.8-23.6000109.2G8G8-D10 PolarHBondContact O-N 3.41Å
11A62.1Low56.9Low93 Ų93165.7 Ų165.777%0.76984%0.839SS**  trans-69.2131.7176.900000110H13A11-H13 PolarHBondContact O-N 3.08Å
12Y59.3Low57.4Low220 Ų220163.4 Ų163.486%0.86383%0.825SS**  trans-61.9107.5170.8-67-86.1000109.7
13H63Low57.3Low174 Ų174157.7 Ų157.781%0.80682%0.817SS**  trans-9499.2168.2-179.263.8000108.2A11 G15A11-H13 PolarHBondContact O-N 3.08Å; H13-G15 PolarHBondContact O-N 3.1Å
14Y57.2Low57.2Low205 Ų205152.1 Ų152.180%0.80481%0.812SS**  trans-78.4102.1166.6-97.6-89.7000108.5
15G54.4Low56.1Low57 Ų57156.3 Ų156.359%0.58882%0.817SS**  trans-89.1107.8167.500000109.7H13 G17H13-G15 PolarHBondContact O-N 3.1Å; G15-G17 PolarHBondContact O-N 2.99Å
16Y54.2Low55Low219 Ų219152.8 Ų152.886%0.85981%0.811SS**  trans-70.7106.4162.9-92.5-96.8000108.2
17G48.7Very low53.7Low78 Ų78152.2 Ų152.280%0.80481%0.81SS**  trans-90.298.8167.700000109.7G15G15-G17 PolarHBondContact O-N 2.99Å
18S48Very low53.2Low114 Ų114155 Ų15580%0.79781%0.81SS**  trans-77.3106.4155.2-69.20000107.2
19D58.3Low52.7Low160 Ų160160 Ų16086%0.85682%0.823SS**  trans-121.9103.7159.1-109.4-7.5000107
20E55.4Low52.4Low181 Ų181159.7 Ų159.785%0.84682%0.822SS**  trans-60.7127.4152-53.8-179.8142.400106.6
21E57.8Low52.4Low192 Ų192161.2 Ų161.290%0.89782%0.824SS**  trans-162.9116138.3-79.5-133.7157.800109.1A23E21-A23 PolarHBondContact O-N 2.84Å
22E52.4Low51.9Low198 Ų198165.9 Ų165.993%0.92583%0.83SS**PPolyproline II helixtrans-63.2120.4170.9-69.1178.5126.200110.6
23A54.6Low51.2Low91 Ų91162.7 Ų162.775%0.75283%0.828SS**PPolyproline II helixtrans-98.1135.8164.900000110.6E21E21-A23 PolarHBondContact O-N 2.84Å
24P52.8Low50.4Low125 Ų125162.4 Ų162.481%0.81283%0.827SS**PPolyproline II helixtrans-75138.8-170.629.2-33.8000112.7S26P24-S26 PolarHBondContact O-N 2.88Å; P24-S26 VanDerWaalsContact O-N 3.16Å
25R40Very low50Low255 Ų255159.1 Ų159.196%0.96283%0.828SS**  trans-60.9109.5174-63.1179.3177.9-161.6-1.6110.3
26S44.6Very low49.7Very low99 Ų99162.9 Ų162.969%0.69284%0.835SS**  trans-95.4115.5164.680.80000109.7P24 R28P24-S26 PolarHBondContact O-N 2.88Å; P24-S26 VanDerWaalsContact O-N 3.16Å; S26-R28 PolarHBondContact O-N 2.79Å
27S40.4Very low49.3Very low115 Ų115163.6 Ų163.680%0.80484%0.838SS**  trans-54.1112.3167.150.10000110.9
28R51.4Low48.9Very low222 Ų222166.7 Ų166.784%0.83884%0.836SS**  trans-129.6117.2156.5-81.5-174.6174.1149.8-0.1107.6S26 R30S26-R28 PolarHBondContact O-N 2.79Å; R28-R30 PolarHBondContact O-N 2.73Å
29D46.1Very low48.5Very low165 Ų165164.7 Ų164.788%0.88283%0.834SS**  trans-43.6115.6172.3-52.9-70.3000109.7
30R47.5Very low47.6Very low241 Ų241163.7 Ų163.791%0.90983%0.828SS**  trans-103.298.9169.9-171.1172.1-178137.4-2.2106R28R28-R30 PolarHBondContact O-N 2.73Å
31E53Low47Very low181 Ų181165 Ų16585%0.84683%0.827SS**  trans-44.2137.2169-86.3167.6122.100110.9N33E31-N33 PolarHBondContact O-N 2.76Å
32E51.5Low46.4Very low191 Ų191166.3 Ų166.389%0.89382%0.824SS**  trans-57.499.1173.3-63.7167.815300108.8E34E32-E34 PolarHBondContact O-N 2.71Å; E32-E34 VanDerWaalsContact O-N 3.1Å
33N43.6Very low45.6Very low153 Ų153161.6 Ų161.682%0.81882%0.819SS**  trans-80.983.7161.8-105.6-8.8000107.2E31 V35E31-N33 PolarHBondContact O-N 2.76Å; N33-V35 PolarHBondContact O-N 2.75Å; N33-V35 VanDerWaalsContact O-N 3.07Å
34E46.6Very low45.3Very low168 Ų168163.7 Ų163.779%0.78582%0.822SS**  trans-58.6101.7159.2-159.8172.4-160.900107E32 D36E32-E34 PolarHBondContact O-N 2.71Å; E32-E34 VanDerWaalsContact O-N 3.1Å; E34-D36 VanDerWaalsContact C-N 3.27Å; E34-D36 PolarHBondContact O-N 2.65Å
35V48.9Very low44.8Very low136 Ų136162.8 Ų162.882%0.82482%0.818SS**  trans-74.190.4173.1-117.60000106.8N33 Y37N33-V35 PolarHBondContact O-N 2.75Å; N33-V35 VanDerWaalsContact O-N 3.07Å; V35-Y37 PolarHBondContact O-N 3.47Å
36D48Very low44.8Very low137 Ų137156.3 Ų156.373%0.73381%0.812SS**  trans-57102.6164.9-95.9-28.2000108.8E34 N38E34-D36 VanDerWaalsContact C-N 3.27Å; E34-D36 PolarHBondContact O-N 2.65Å; D36-N38 PolarHBondContact O-N 2.98Å
37Y46.2Very low44.6Very low233 Ų233156.8 Ų156.891%0.91482%0.822SS**  trans-76.161169.4-147.2-93.1000109V35V35-Y37 PolarHBondContact O-N 3.47Å
38N41.1Very low44.5Very low143 Ų143154.7 Ų154.777%0.76582%0.819SS**  trans-147.572.5175.1-133.9-0.1000110.1D36D36-N38 PolarHBondContact O-N 2.98Å
39G38.5Very low44.1Very low73 Ų73149.6 Ų149.675%0.75382%0.824SS**  trans-128.576.4-171.300000113.5
40N40Very low44.5Very low139 Ų139145.9 Ų145.974%0.74382%0.816SS**  trans59.772.2134.3-155.540.8000117.9R42N40-R42 PolarHBondContact O-N 3.24Å
41Y42.9Very low44.9Very low208 Ų208139 Ų13982%0.81680%0.797SS**  trans-66.3108.5155.431-86.4000109.1A43Y41-A43 PolarHBondContact O-N 3.17Å; Y41-A43 VanDerWaalsContact O-N 3.16Å
42R44.2Very low45.3Very low220 Ų220138.1 Ų138.183%0.8379%0.791SS**  trans-54.9118.6170.4-87.1178.8168.6166.7-2.4109.5N40 V44N40-R42 PolarHBondContact O-N 3.24Å; R42-V44 PolarHBondContact O-N 3.09Å
43A35.1Very low46.5Very low99 Ų99132.9 Ų132.982%0.81878%0.776SS**  trans-58.696.2165.400000109.7Y41Y41-A43 PolarHBondContact O-N 3.17Å; Y41-A43 VanDerWaalsContact O-N 3.16Å
44V48.3Very low48.2Very low135 Ų135132 Ų13282%0.81877%0.767SS**  trans-87.9110.5161-171.60000106R42 S46R42-V44 PolarHBondContact O-N 3.09Å; V44-S46 PolarHBondContact O-N 2.89Å
45S43.8Very low49.9Very low106 Ų106129.7 Ų129.774%0.74175%0.754SS**  trans-59.3131.8-179-53.20000111.9
46S39.6Very low51.8Low118 Ų118127.1 Ų127.183%0.82574%0.736SS**SBendtrans54.486.3135.6-174.30000117.2V44V44-S46 PolarHBondContact O-N 2.89Å
47A39.8Very low53.7Low109 Ų109123.1 Ų123.190%0.90172%0.722SS**SBendtrans169.6104.8132.500000109.7
48G39.5Very low55.7Low72 Ų72117.6 Ų117.674%0.74270%0.704SS**  trans120.463.2170.700000114.4A50G48-A50 PolarHBondContact O-N 3.3Å
49A42Very low58.1Low115 Ų115115.1 Ų115.195%0.9569%0.689SS**  trans-71.477.3159.100000107.8
50A53.7Low60.5Low87 Ų87117.5 Ų117.572%0.71968%0.681SS**  trans-86.7134.117000000108.2G48 F52G48-A50 PolarHBondContact O-N 3.3Å; A50-F52 PolarHBondContact O-N 3.22Å
51D57.6Low62.9Low96 Ų96116.3 Ų116.351%0.51368%0.675SS.*  trans-65.5101.1-159.2-163.9-9.9000113.4S53 E54D51-S53 PolarHBondContact O-N 2.67Å; D51-S53 WeakPolarHBondContact OD1-CB 3.43Å; D51-S53 PolarHBondContact OD1-N 2.99Å; D51-S53 VanDerWaalsContact OD1-N 3.13Å; D51-S53 PolarHBondContact OD1-OG 3.39Å; D51-E54 HydrophobicContact CB-CB 4.4Å; D51-E54 PolarHBondContact OD1-N 2.7Å
52F60.9Low65.1Low162 Ų162112.6 Ų112.671%0.71167%0.665SS**Hα-helixtrans-73.5-16.6173.7-125.6-94.9000112A50 D56A50-F52 PolarHBondContact O-N 3.22Å; F52-D56 PolarHBondContact O-N 3.2Å
53S75.6Confident67.2Low81 Ų81106.3 Ų106.357%0.56665%0.647SS**Hα-helixtrans-75.2-23.4177.720.50000113.6D51 A57D51-S53 PolarHBondContact O-N 2.67Å; D51-S53 WeakPolarHBondContact OD1-CB 3.43Å; D51-S53 PolarHBondContact OD1-N 2.99Å; D51-S53 VanDerWaalsContact OD1-N 3.13Å; D51-S53 PolarHBondContact OD1-OG 3.39Å; S53-A57 VanDerWaalsContact O-CB 3.22Å; S53-A57 WeakPolarHBondContact O-CB 3.22Å; S53-A57 PolarHBondContact O-N 3.22Å; S53-A57 VanDerWaalsContact O-N 3.14Å
54E80.4Confident69.6Low136 Ų136105.8 Ų105.864%0.63663%0.631SS**Hα-helixtrans-69.6-40.3176.8-169.8170.7-170.900111.4D51 E58D51-E54 HydrophobicContact CB-CB 4.4Å; D51-E54 PolarHBondContact OD1-N 2.7Å; E54-E58 WeakPolarHBondContact O-CB 3.35Å; E54-E58 PolarHBondContact O-N 2.99Å
55F81.1Confident71.4Confident119 Ų119103.5 Ų103.552%0.52262%0.621SS.*Hα-helixtrans-67.4-46.9177.7179.2-102.5000112.7A57 E58 M59F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.03Å; F55-E58 PolarHBondContact O-N 3.42Å; F55-M59 HydrophobicContact CD1-CE 4.18Å; F55-M59 HydrophobicContact CE1-CE 3.34Å; F55-M59 HydrophobicContact CZ-CE 3.64Å; F55-M59 PolarHBondContact O-N 2.89Å
56D89.1Confident73.1Confident81 Ų81104.3 Ų104.343%0.43362%0.616SS.*Hα-helixtrans-63.8-38.2178.4-75.3-17.9000111.2F52 M59 Q60F52-D56 PolarHBondContact O-N 3.2Å; D56-M59 PolarHBondContact O-N 3.41Å; D56-Q60 PolarHBondContact O-N 3.33Å
57A88.8Confident74.8Confident54 Ų54105.1 Ų105.145%0.44660%0.602SS.*Hα-helixtrans-68.4-39.1177.100000113.1S53 F55 Q60 N61S53-A57 VanDerWaalsContact O-CB 3.22Å; S53-A57 WeakPolarHBondContact O-CB 3.22Å; S53-A57 PolarHBondContact O-N 3.22Å; S53-A57 VanDerWaalsContact O-N 3.14Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.03Å; A57-Q60 PolarHBondContact O-N 3.46Å; A57-N61 WeakPolarHBondContact O-CB 3.36Å; A57-N61 PolarHBondContact O-N 2.8Å
58E88.8Confident76.1Confident116 Ų116105.1 Ų105.154%0.54258%0.583SS.*Hα-helixtrans-63.3-46.2174.6-173.4172.4-151.700110.8E54 F55 Q60 N61 E62E54-E58 WeakPolarHBondContact O-CB 3.35Å; E54-E58 PolarHBondContact O-N 2.99Å; F55-E58 PolarHBondContact O-N 3.42Å; E58-Q60 PolarHBondContact O-N 3.04Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.06Å; E58-N61 VanDerWaalsContact O-N 3.16Å; E58-E62 PolarHBondContact O-N 3.07Å
59M89.7Confident77.5Confident91 Ų91104.8 Ų104.845%0.44857%0.568SS.*Hα-helixtrans-58.1-47.1175.9-173-172.8-56.100111.8F55 D56 N61 E62 L63F55-M59 HydrophobicContact CD1-CE 4.18Å; F55-M59 HydrophobicContact CE1-CE 3.34Å; F55-M59 HydrophobicContact CZ-CE 3.64Å; F55-M59 PolarHBondContact O-N 2.89Å; D56-M59 PolarHBondContact O-N 3.41Å; M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.44Å; M59-E62 PolarHBondContact O-N 3.22Å; M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.32Å
60Q89.6Confident78.3Confident124 Ų124103.4 Ų103.458%0.57954%0.544SS*.Hα-helixtrans-62.8-36.3179-136.297.625.600112.1D56 A57 E58 N64D56-Q60 PolarHBondContact O-N 3.33Å; A57-Q60 PolarHBondContact O-N 3.46Å; E58-Q60 PolarHBondContact O-N 3.04Å; Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.23Å; Q60-N64 PolarHBondContact O-ND2 3.14Å
61N91.3Very high78.5Confident114 Ų114104.7 Ų104.761%0.6154%0.535SS*.Hα-helixtrans-68.8-42.1177.2-96.6-9.4000112.4A57 E58 M59 L63 N64 S65A57-N61 WeakPolarHBondContact O-CB 3.36Å; A57-N61 PolarHBondContact O-N 2.8Å; E58-N61 WeakPolarHBondContact O-CB 3.45Å; E58-N61 PolarHBondContact O-N 3.06Å; E58-N61 VanDerWaalsContact O-N 3.16Å; M59-N61 VanDerWaalsContact C-N 3.28Å; M59-N61 PolarHBondContact O-N 3.44Å; N61-L63 VanDerWaalsContact C-N 3.33Å; N61-N64 PolarHBondContact O-N 3Å; N61-S65 VanDerWaalsContact O-CB 3.26Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 3.38Å
62E88.6Confident78.5Confident130 Ų130102.2 Ų102.261%0.60753%0.525SS*.Hα-helixtrans-62.7-42.5175-70.5-166.1162.900111.3E58 M59 S65 L66E58-E62 PolarHBondContact O-N 3.07Å; M59-E62 PolarHBondContact O-N 3.22Å; E62-S65 PolarHBondContact O-N 2.65Å; E62-L66 PolarHBondContact O-N 3.1Å
63L87.6Confident78Confident87 Ų87103 Ų10346%0.45552%0.523SS..Hα-helixtrans-61.6-50.5176.3-131.4147.8000111M59 N61 S65 L66 Y67M59-L63 WeakPolarHBondContact O-CB 3.42Å; M59-L63 PolarHBondContact O-N 3.32Å; N61-L63 VanDerWaalsContact C-N 3.33Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.22Å; L63-L66 PolarHBondContact O-N 3.49Å; L63-Y67 HydrophobicContact CD2-CD2 3.71Å; L63-Y67 HydrophobicContact CD2-CE2 3.57Å; L63-Y67 HydrophobicContact CG-CE2 4.47Å; L63-Y67 VanDerWaalsContact O-CD2 3.3Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.72Å; L63-Y67 VanDerWaalsContact O-N 3.1Å
64N86.1Confident76.8Confident89 Ų89104.8 Ų104.848%0.47653%0.531SS..Hα-helixtrans-61.1-39.3176.9-79.2-21.5000112.5Q60 N61 L66 Y67 Q68Q60-N64 WeakPolarHBondContact O-CB 3.35Å; Q60-N64 PolarHBondContact O-N 3.23Å; Q60-N64 PolarHBondContact O-ND2 3.14Å; N61-N64 PolarHBondContact O-N 3Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 2.87Å; N64-Y67 PolarHBondContact O-N 2.86Å; N64-Q68 VanDerWaalsContact O-CB 3.3Å; N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.04Å
65S85Confident75.2Confident87 Ų87104.3 Ų104.361%0.60853%0.532SS*.Hα-helixtrans-63.2-35.2177.1-173.20000112.7N61 E62 L63 P69N61-S65 VanDerWaalsContact O-CB 3.26Å; N61-S65 WeakPolarHBondContact O-CB 3.46Å; N61-S65 PolarHBondContact O-N 3.38Å; E62-S65 PolarHBondContact O-N 2.65Å; L63-S65 VanDerWaalsContact C-N 3.32Å; L63-S65 PolarHBondContact O-N 3.22Å; S65-P69 WeakPolarHBondContact O-CD 3.38Å; S65-P69 WeakPolarHBondContact O-CG 3.41Å
66L80.8Confident73.6Confident123 Ų123108.1 Ų108.164%0.64454%0.542SS*.Hα-helixtrans-73.4-37.3178-124.1155.5000112.6E62 L63 N64E62-L66 PolarHBondContact O-N 3.1Å; L63-L66 PolarHBondContact O-N 3.49Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-L66 PolarHBondContact O-N 2.87Å
67Y74.7Confident71.4Confident134 Ų134109.7 Ų109.753%0.52556%0.56SS.*Hα-helixtrans-88.3-32.4-175-82.5-95.9000114.3L63 N64 P69 L70 E71L63-Y67 HydrophobicContact CD2-CD2 3.71Å; L63-Y67 HydrophobicContact CD2-CE2 3.57Å; L63-Y67 HydrophobicContact CG-CE2 4.47Å; L63-Y67 VanDerWaalsContact O-CD2 3.3Å; L63-Y67 WeakPolarHBondContact O-CD2 3.38Å; L63-Y67 PolarHBondContact O-N 2.72Å; L63-Y67 VanDerWaalsContact O-N 3.1Å; N64-Y67 PolarHBondContact O-N 2.86Å; Y67-P69 VanDerWaalsContact C-CD 3.46Å; Y67-L70 WeakPolarHBondContact O-CA 3.35Å; Y67-L70 WeakPolarHBondContact O-CB 3.06Å; Y67-L70 PolarHBondContact O-N 3.26Å; Y67-E71 PolarHBondContact O-N 3.02Å; Y67-E71 VanDerWaalsContact O-N 3.07Å
68Q66.7Low69.4Low110 Ų110111 Ų11151%0.51457%0.566SS.*Hα-helixtrans-53.3-40.6178.6-78-86.2-28.200114.7N64 L70 S72N64-Q68 VanDerWaalsContact O-CB 3.3Å; N64-Q68 WeakPolarHBondContact O-CB 3.43Å; N64-Q68 WeakPolarHBondContact O-CG 3.49Å; N64-Q68 PolarHBondContact O-N 3.04Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.23Å; Q68-S72 PolarHBondContact O-N 3.38Å; Q68-S72 PolarHBondContact O-OG 3.16Å; Q68-S72 VanDerWaalsContact O-OG 3.05Å
69P69.7Low67Low65 Ų65112.9 Ų112.942%0.42258%0.58SS.*Hα-helixtrans-70.4-24.8174.9-17.431000113.6S65 Y67 R73S65-P69 WeakPolarHBondContact O-CD 3.38Å; S65-P69 WeakPolarHBondContact O-CG 3.41Å; Y67-P69 VanDerWaalsContact C-CD 3.46Å; P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.1Å
70L58.8Low64.4Low86 Ų86113.2 Ų113.245%0.4560%0.597SS.*Hα-helixtrans-77-44.3178.6-63.4173.6000110.3Y67 Q68 S72 R73 V74Y67-L70 WeakPolarHBondContact O-CA 3.35Å; Y67-L70 WeakPolarHBondContact O-CB 3.06Å; Y67-L70 PolarHBondContact O-N 3.26Å; Q68-L70 VanDerWaalsContact C-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.23Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.3Å; L70-R73 PolarHBondContact O-N 3.28Å; L70-V74 WeakPolarHBondContact O-CG2 3.36Å; L70-V74 PolarHBondContact O-N 3.24Å; L70-V74 VanDerWaalsContact O-N 3.14Å
71E58.5Low62.1Low114 Ų114113.3 Ų113.353%0.53361%0.611SS.*Hα-helixtrans-60.5-40.6174.3-66.8-178.5162.200111.7Y67 R73 V74 I75Y67-E71 PolarHBondContact O-N 3.02Å; Y67-E71 VanDerWaalsContact O-N 3.07Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.33Å; E71-V74 PolarHBondContact O-N 2.77Å; E71-I75 PolarHBondContact O-N 3.06Å
72S56.1Low59.6Low43 Ų43111.3 Ų111.330%0.30162%0.617SS.*Hα-helixtrans-66.3-25.5175.8-65.90000113.6Q68 L70 R76Q68-S72 PolarHBondContact O-N 3.38Å; Q68-S72 PolarHBondContact O-OG 3.16Å; Q68-S72 VanDerWaalsContact O-OG 3.05Å; L70-S72 VanDerWaalsContact C-N 3.3Å; L70-S72 PolarHBondContact O-N 3.3Å; S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 VanDerWaalsContact O-CD 3.25Å; S72-R76 WeakPolarHBondContact O-CD 3.35Å; S72-R76 WeakPolarHBondContact O-CG 3.3Å; S72-R76 PolarHBondContact O-N 3.43Å
73R52.3Low57Low178 Ų178112.3 Ų112.367%0.67263%0.627SS**Hα-helixtrans-83.3-30.5178.1-81.4174.5-179.5174.32.3112.5P69 L70 E71 I75 R76 S77P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.1Å; L70-R73 PolarHBondContact O-N 3.28Å; E71-R73 VanDerWaalsContact C-N 3.27Å; E71-R73 PolarHBondContact O-N 3.33Å; R73-I75 VanDerWaalsContact C-N 3.29Å; R73-I75 PolarHBondContact O-N 3.06Å; R73-R76 PolarHBondContact O-N 2.88Å; R73-S77 PolarHBondContact O-OG 2.74Å
74V48.7Very low55Low119 Ų119116.9 Ų116.972%0.72165%0.646SS**Hα-helixtrans-66-34.8173.8177.90000110.7L70 E71L70-V74 WeakPolarHBondContact O-CG2 3.36Å; L70-V74 PolarHBondContact O-N 3.24Å; L70-V74 VanDerWaalsContact O-N 3.14Å; E71-V74 PolarHBondContact O-N 2.77Å
75I48.5Very low52.5Low127 Ų127117.2 Ų117.265%0.65166%0.661SS**Hα-helixtrans-86-20.9-179.6-58.7177.1000113.1E71 R73 S78E71-I75 PolarHBondContact O-N 3.06Å; R73-I75 VanDerWaalsContact C-N 3.29Å; R73-I75 PolarHBondContact O-N 3.06Å; I75-S78 PolarHBondContact O-OG 3.34Å
76R45.7Very low50.4Low198 Ų198120.8 Ų120.875%0.74767%0.673SS**Hα-helixtrans-86.4-5.5-174.9-77.8174.7-163.5-158.86115.6S72 R73 S78S72-R76 WeakPolarHBondContact O-CB 3.49Å; S72-R76 VanDerWaalsContact O-CD 3.25Å; S72-R76 WeakPolarHBondContact O-CD 3.35Å; S72-R76 WeakPolarHBondContact O-CG 3.3Å; S72-R76 PolarHBondContact O-N 3.43Å; R73-R76 PolarHBondContact O-N 2.88Å; R76-S78 VanDerWaalsContact C-N 3.33Å
77S44.3Very low48.4Very low114 Ų114121.2 Ų121.280%0.79768%0.681SS**THydrogen-bonded Turntrans-85.3-2.7-179.9-59.30000113.9R73R73-S77 PolarHBondContact O-OG 2.74Å
78S45.9Very low47Very low83 Ų83121.6 Ų121.658%0.5869%0.692SS**SBendtrans-110.8-9.5-172.449.50000116.6I75 R76I75-S78 PolarHBondContact O-OG 3.34Å; R76-S78 VanDerWaalsContact C-N 3.33Å
79N37.7Very low45.9Very low155 Ų155125 Ų12583%0.82971%0.708SS**  trans-138.482.1-173.8-81.8-29.4000114.5
80A35.2Very low44.5Very low98 Ų98128.8 Ų128.881%0.8173%0.725SS**  trans-104.994.4156.900000108.5
81S42.8Very low43.7Very low126 Ų126132.5 Ų132.588%0.88175%0.745SS**  trans164.3118.8146.8-75.80000112.1
82G37.3Very low43.5Very low71 Ų71134.8 Ų134.873%0.73276%0.76SS**  trans8894.3134.700000120.2
83N35Very low43.1Very low151 Ų151139.6 Ų139.681%0.80778%0.782SS**  57.3123.5126.4-67.6-19.6000122.9
84Q44.4Very low43.2Very low183 Ų183138.6 Ų138.686%0.85579%0.79SS**  trans87.2118.8139.4-69.1-179.75200120.2
85A34.5Very low43Very low97 Ų97139.8 Ų139.880%0.80279%0.792SS**  trans-26135.2162.500000117.5
86D41.6Very low43.2Very low161 Ų161141.4 Ų141.486%0.86180%0.801SS**  -160151.5116.2-138.6-21.8000110.9
87T39Very low43.3Very low132 Ų132135.6 Ų135.681%0.8179%0.791SS**  trans-84.7116.4-178.1-53.30000108.6
88D43.6Very low43.8Very low143 Ų143137.4 Ų137.477%0.76579%0.792SS**  trans-153.6144.2158.9-125.9-21000113.8N90D88-N90 PolarHBondContact O-N 3.16Å
89Q43.8Very low44.2Very low182 Ų182140.8 Ų140.885%0.8580%0.798SS**  trans-62.9107.8-171.9-59.4174-2.800110.5
90N41.8Very low45Very low143 Ų143142.6 Ų142.677%0.76580%0.799SS**  trans-128.3109.2168.4-84.5-33.6000110D88 L92D88-N90 PolarHBondContact O-N 3.16Å; N90-L92 PolarHBondContact O-N 2.87Å
91N42Very low46Very low164 Ų164143.2 Ų143.288%0.87779%0.793SS**  trans-42.3103.6154.9-95.4-55.5000108.3D93N91-D93 PolarHBondContact O-N 2.79Å
92L52.7Low46.7Very low162 Ų162141.3 Ų141.385%0.84877%0.772SS**  trans-76.578.6161.8-82.4154.8000106N90 L94N90-L92 PolarHBondContact O-N 2.87Å; L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.82Å
93D47.4Very low47.9Very low144 Ų144140.6 Ų140.677%0.7776%0.756SS**  trans-55107.2160.4-152.75.4000105.1N91 N95N91-D93 PolarHBondContact O-N 2.79Å; D93-N95 PolarHBondContact O-N 2.92Å
94L55.6Low49.3Very low157 Ų157139.3 Ų139.382%0.82275%0.749SS**  trans-63.188.8173.6-71.5168.8000105.4L92 L96L92-L94 VanDerWaalsContact C-N 3.35Å; L92-L94 PolarHBondContact O-N 2.82Å; L94-L96 PolarHBondContact O-N 2.98Å
95N43.8Very low50.1Low145 Ų145136.5 Ų136.578%0.77574%0.736SS**  trans-69.573.5168.5-161.57.7000106.5D93 S97D93-N95 PolarHBondContact O-N 2.92Å; N95-S97 PolarHBondContact O-N 3.29Å
96L53Low51.4Low161 Ų161137 Ų13784%0.84372%0.722SS**  trans-68.973.5164.8-161.478.7000104.8L94 D98L94-L96 PolarHBondContact O-N 2.98Å; L96-D98 PolarHBondContact O-N 3.15Å
97S48.9Very low52.3Low75 Ų75134.9 Ų134.952%0.52471%0.705SS.*  trans-60.3131.1170.450.90000107N95 E99N95-S97 PolarHBondContact O-N 3.29Å; S97-E99 PolarHBondContact O-N 2.87Å
98D53.3Low53.3Low153 Ų153131.9 Ų131.982%0.81868%0.684SS**SBendtrans-62.940.2-173-135.2-0.3000113.8L96L96-D98 PolarHBondContact O-N 3.15Å
99E54.6Low54.1Low154 Ų154129.6 Ų129.672%0.7268%0.675SS**  trans-108.921.4-178-158.2158.4174.700111.1S97 T101S97-E99 PolarHBondContact O-N 2.87Å; E99-T101 VanDerWaalsContact C-N 3.26Å
100F54.4Low54.8Low193 Ų193128.7 Ų128.785%0.84667%0.67SS**  trans-97.137168.3-149.1-93.2000110.8
101T56.8Low55.7Low110 Ų110127.4 Ų127.468%0.67566%0.66SS**  trans-109.7-1.9179.452.80000113.1E99 S103E99-T101 VanDerWaalsContact C-N 3.26Å; T101-S103 PolarHBondContact O-N 2.97Å
102L57.8Low56.2Low86 Ų86122.8 Ų122.845%0.4565%0.651SS.*SBendtrans-71.1111.7163.2-65.8177.9000107D104 E106L102-D104 PolarHBondContact O-N 2.78Å; L102-E106 HydrophobicContact CD2-CB 4.28Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.47Å
103S61.4Low56.4Low56 Ų56120.5 Ų120.539%0.39264%0.637SS.*  trans-51.7139.5166.9178.30000108.1T101 E105 E106T101-S103 PolarHBondContact O-N 2.97Å; S103-E105 WeakPolarHBondContact CB-OE1 3.22Å; S103-E105 PolarHBondContact O-N 2.87Å; S103-E105 WeakPolarHBondContact OG-CG 3.3Å; S103-E105 PolarHBondContact OG-OE1 2.74Å; S103-E106 PolarHBondContact O-N 3.26Å
104D64.4Low57Low124 Ų124122.6 Ų122.666%0.66364%0.64SS**Hα-helixtrans-49.4-21.8-177.3-73.7-24.7000113L102 L108L102-D104 PolarHBondContact O-N 2.78Å; D104-L108 WeakPolarHBondContact O-CG 3.46Å
105E61.4Low56.9Low125 Ų125118.3 Ų118.358%0.58462%0.623SS**Hα-helixtrans-63.9-38172.971.2-164.4113.800114.5S103 V109S103-E105 WeakPolarHBondContact CB-OE1 3.22Å; S103-E105 PolarHBondContact O-N 2.87Å; S103-E105 WeakPolarHBondContact OG-CG 3.3Å; S103-E105 PolarHBondContact OG-OE1 2.74Å; E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.83Å
106E61.7Low57.7Low108 Ų108116.6 Ų116.651%0.50561%0.614SS.*Hα-helixtrans-77.4-30.2-176.4-66.9-169.5135.800112.1L102 S103 E110L102-E106 HydrophobicContact CD2-CB 4.28Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.47Å; S103-E106 PolarHBondContact O-N 3.26Å; E106-E110 PolarHBondContact O-N 2.99Å
107F60.9Low58.1Low116 Ų116115.4 Ų115.451%0.50960%0.604SS.*Hα-helixtrans-71.1-34.7176.3-175.4-108.1000112.9Q111F107-Q111 PolarHBondContact O-N 3.44Å
108L60.3Low58.8Low69 Ų69116.9 Ų116.936%0.36161%0.612SS.*Hα-helixtrans-69.7-37.5177.9-74.8169.3000112.2D104 Q111 M113D104-L108 WeakPolarHBondContact O-CG 3.46Å; L108-Q111 PolarHBondContact O-N 2.93Å; L108-M113 HydrophobicContact CD2-CB 4.41Å; L108-M113 HydrophobicContact CD2-SD 4.18Å; L108-M113 PolarHBondContact O-N 3.29Å; L108-M113 VanDerWaalsContact O-O 3.11Å
109V60.1Low59.2Low95 Ų95116.7 Ų116.758%0.57661%0.611SS**Hα-helixtrans-66.5-38.4178.3175.50000111.4E105 Q111 G112E105-V109 WeakPolarHBondContact O-CG2 3.33Å; E105-V109 PolarHBondContact O-N 2.83Å; V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 PolarHBondContact O-N 2.79Å; V109-G112 PolarHBondContact O-N 3.23Å
110E59.3Low59.6Low162 Ų162113.6 Ų113.676%0.75760%0.599SS**Hα-helixtrans-67.4-28.5176.2-85.5-167149.400113.8E106 G112E106-E110 PolarHBondContact O-N 2.99Å; E110-G112 PolarHBondContact O-N 2.98Å
111Q59.9Low60.3Low116 Ų116110.5 Ų110.554%0.54259%0.591SS.*THydrogen-bonded Turntrans-81.84.5176.3-67.4-159.820.700114F107 L108 V109 M113F107-Q111 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 2.93Å; V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 PolarHBondContact O-N 2.79Å; Q111-M113 HydrophobicContact CB-CG 4.38Å; Q111-M113 PolarHBondContact O-N 3.22Å
112G53.4Low61.2Low67 Ų67113.6 Ų113.669%0.69160%0.602SS**THydrogen-bonded Turntrans66.215.5-177.200000113.2V109 E110 K114V109-G112 PolarHBondContact O-N 3.23Å; E110-G112 PolarHBondContact O-N 2.98Å; G112-K114 PolarHBondContact O-N 3.3Å
113M56.7Low62.3Low114 Ų114117 Ų11756%0.56261%0.61SS**  trans-82.1110.6168.5-66.6-170.7132.100106.5L108 Q111 S115L108-M113 HydrophobicContact CD2-CB 4.41Å; L108-M113 HydrophobicContact CD2-SD 4.18Å; L108-M113 PolarHBondContact O-N 3.29Å; L108-M113 VanDerWaalsContact O-O 3.11Å; Q111-M113 HydrophobicContact CB-CG 4.38Å; Q111-M113 PolarHBondContact O-N 3.22Å; M113-S115 PolarHBondContact O-N 3.26Å
114K60.3Low63.4Low189 Ų189117.8 Ų117.882%0.82261%0.61SS**  trans-60.4110.9169.8-69.5175.2178.8175.20106.3G112 D116G112-K114 PolarHBondContact O-N 3.3Å; K114-D116 VanDerWaalsContact C-N 3.28Å; K114-D116 PolarHBondContact O-N 2.79Å
115S53.6Low64.5Low66 Ų66115.9 Ų115.946%0.46260%0.604SS.*  trans-64.198163.938.40000106.3M113 E117M113-S115 PolarHBondContact O-N 3.26Å; S115-E117 PolarHBondContact O-N 3.16Å; S115-E117 VanDerWaalsContact O-N 3.14Å
116D58.9Low65.9Low110 Ų110113 Ų11359%0.58860%0.595SS**  trans-58.9118.4163.7-64.1-46000105.7K114 L121K114-D116 VanDerWaalsContact C-N 3.28Å; K114-D116 PolarHBondContact O-N 2.79Å; D116-L121 HydrophobicContact CB-CD1 4Å; D116-L121 WeakPolarHBondContact O-CD1 3.41Å
117E61.5Low67.3Low135 Ų135111.6 Ų111.663%0.63159%0.591SS**  trans-47.7143.2176-73.9-143138.500109.6S115 D119 N120S115-E117 PolarHBondContact O-N 3.16Å; S115-E117 VanDerWaalsContact O-N 3.14Å; E117-D119 PolarHBondContact O-N 3.36Å; E117-N120 WeakPolarHBondContact O-CA 3.41Å; E117-N120 WeakPolarHBondContact O-CB 3.14Å; E117-N120 PolarHBondContact O-N 3.01Å
118P63.7Low68.7Low107 Ų107112.2 Ų112.270%0.69560%0.6SS**G310 helixtrans-54-27.8-172.219.8-32.1000113.4
119D61.6Low70.3Confident149 Ų149114.2 Ų114.280%0.79761%0.607SS**G310 helixtrans-78.9-14.4177.6-71.6-9.5000114.1E117E117-D119 PolarHBondContact O-N 3.36Å
120N64.6Low71.8Confident89 Ų89113.1 Ų113.148%0.47660%0.598SS.*G310 helixtrans-94-6.8175.5-77.6-32.7000113.8E117 L122 Y123E117-N120 WeakPolarHBondContact O-CA 3.41Å; E117-N120 WeakPolarHBondContact O-CB 3.14Å; E117-N120 PolarHBondContact O-N 3.01Å; N120-L122 PolarHBondContact O-N 3.08Å; N120-L122 VanDerWaalsContact O-N 3.15Å; N120-Y123 PolarHBondContact O-N 3.24Å
121L68.4Low73.3Confident127 Ų127109.1 Ų109.167%0.66558%0.582SS**THydrogen-bonded Turntrans-63.2-22.1-179.7-10074.6000113.9D116D116-L121 HydrophobicContact CB-CD1 4Å; D116-L121 WeakPolarHBondContact O-CD1 3.41Å
122L75Confident74.8Confident175 Ų175107.2 Ų107.292%0.91657%0.573SS**THydrogen-bonded Turntrans-93.5-13.9-178.4-62.4-179.9000113.7N120N120-L122 PolarHBondContact O-N 3.08Å; N120-L122 VanDerWaalsContact O-N 3.15Å
123Y81.9Confident76.6Confident159 Ų159110.2 Ų110.262%0.62457%0.571SS**  trans-118.2106.9-177.1-178.9-110.8000110.3N120 P125N120-Y123 PolarHBondContact O-N 3.24Å; Y123-P125 HydrophobicContact CD1-CB 4.47Å; Y123-P125 HydrophobicContact CE1-CB 3.79Å; Y123-P125 VanDerWaalsContact O-CD 3.32Å; Y123-P125 WeakPolarHBondContact O-CD 3.46Å
124N83.2Confident78.2Confident71 Ų71112 Ų11238%0.3857%0.571SS.*  trans-89.4109.6166.5-179.712.8000108.9T126 D127 D130N124-T126 PolarHBondContact ND2-OG1 2.81Å; N124-T126 PolarHBondContact O-N 3.17Å; N124-T126 VanDerWaalsContact O-N 3.14Å; N124-T126 PolarHBondContact OD1-N 3.45Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; N124-D127 HydrophobicContact CB-CB 4.14Å; N124-D127 WeakPolarHBondContact O-CB 3.49Å; N124-D127 PolarHBondContact O-N 3.27Å; N124-D130 PolarHBondContact ND2-OD2 3.21Å
125P88.2Confident79.7Confident85 Ų85104.7 Ų104.755%0.55254%0.541SS*.THydrogen-bonded Turntrans-65.1-13.317727.6-34.9000113.3Y123Y123-P125 HydrophobicContact CD1-CB 4.47Å; Y123-P125 HydrophobicContact CE1-CB 3.79Å; Y123-P125 VanDerWaalsContact O-CD 3.32Å; Y123-P125 WeakPolarHBondContact O-CD 3.46Å
126T91Very high81.4Confident63 Ų63103.3 Ų103.339%0.38753%0.528SS..THydrogen-bonded Turntrans-101.85.2178.669.30000114.2N124 D128 E129 D130N124-T126 PolarHBondContact ND2-OG1 2.81Å; N124-T126 PolarHBondContact O-N 3.17Å; N124-T126 VanDerWaalsContact O-N 3.14Å; N124-T126 PolarHBondContact OD1-N 3.45Å; N124-T126 PolarHBondContact OD1-OG1 3.18Å; T126-D128 VanDerWaalsContact C-N 3.26Å; T126-D128 PolarHBondContact O-N 2.98Å; T126-E129 VanDerWaalsContact CA-OE2 3.25Å; T126-E129 WeakPolarHBondContact CA-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.28Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-D130 WeakPolarHBondContact O-CB 3.22Å; T126-D130 VanDerWaalsContact O-CG 3.25Å; T126-D130 PolarHBondContact O-N 2.82Å; T126-D130 PolarHBondContact OG1-OD2 2.78Å
127D90.9Very high82.9Confident80 Ų80103.3 Ų103.343%0.42853%0.528SS..Hα-helixtrans-59.4-39.1-173.1-161.250.9000112N124 D130 N131N124-D127 HydrophobicContact CB-CB 4.14Å; N124-D127 WeakPolarHBondContact O-CB 3.49Å; N124-D127 PolarHBondContact O-N 3.27Å; D127-D130 PolarHBondContact O-N 3.38Å; D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 PolarHBondContact O-N 3.31Å; D127-N131 PolarHBondContact O-ND2 3.38Å; D127-N131 PolarHBondContact OD2-ND2 3.41Å
128D90.7Very high84.3Confident129 Ų12999 Ų9969%0.6951%0.508SS*.Hα-helixtrans-64.2-43.7176.6-74.8-19.7000111.7T126 Q132T126-D128 VanDerWaalsContact C-N 3.26Å; T126-D128 PolarHBondContact O-N 2.98Å; D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.33Å; D128-Q132 PolarHBondContact O-N 2.88Å
129E93.6Very high85.6Confident111 Ų11194.4 Ų94.452%0.51948%0.477SS..Hα-helixtrans-65.8-42.7175.8-69.882-175.100112.2T126 Q132 M133T126-E129 VanDerWaalsContact CA-OE2 3.25Å; T126-E129 WeakPolarHBondContact CA-OE2 3.24Å; T126-E129 PolarHBondContact O-N 3.28Å; T126-E129 VanDerWaalsContact O-N 3.1Å; E129-Q132 PolarHBondContact O-N 2.78Å; E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 VanDerWaalsContact O-CG 3.26Å; E129-M133 WeakPolarHBondContact O-CG 3.48Å; E129-M133 PolarHBondContact O-N 2.84Å
130D92.7Very high86.9Confident72 Ų7291.2 Ų91.239%0.38545%0.454SS..Hα-helixtrans-64.4-43.4179.3-68-35.1000110.7N124 T126 D127 M133 W134N124-D130 PolarHBondContact ND2-OD2 3.21Å; T126-D130 WeakPolarHBondContact O-CB 3.22Å; T126-D130 VanDerWaalsContact O-CG 3.25Å; T126-D130 PolarHBondContact O-N 2.82Å; T126-D130 PolarHBondContact OG1-OD2 2.78Å; D127-D130 PolarHBondContact O-N 3.38Å; D130-M133 PolarHBondContact O-N 2.87Å; D130-W134 PolarHBondContact O-N 2.78Å
131N90.7Very high88Confident77 Ų7790.9 Ų90.941%0.41246%0.458SS..Hα-helixtrans-63-45.3174.6-73.7-32.4000111.6D127 M133 W134 I135D127-N131 WeakPolarHBondContact O-CB 3.28Å; D127-N131 PolarHBondContact O-N 3.31Å; D127-N131 PolarHBondContact O-ND2 3.38Å; D127-N131 PolarHBondContact OD2-ND2 3.41Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 3.31Å; N131-W134 PolarHBondContact O-N 2.92Å; N131-I135 WeakPolarHBondContact O-CG1 3.33Å; N131-I135 PolarHBondContact O-N 3Å
132Q90.3Very high88.7Confident77 Ų7787.6 Ų87.636%0.3644%0.437SS..Hα-helixtrans-61.6-41.1176.2179.95936.200111.5D128 E129 I135 D136D128-Q132 VanDerWaalsContact O-CB 3.31Å; D128-Q132 WeakPolarHBondContact O-CB 3.33Å; D128-Q132 PolarHBondContact O-N 2.88Å; E129-Q132 PolarHBondContact O-N 2.78Å; Q132-I135 PolarHBondContact O-N 3.16Å; Q132-D136 PolarHBondContact NE2-OD1 3.34Å; Q132-D136 PolarHBondContact NE2-OD2 3.33Å; Q132-D136 VanDerWaalsContact NE2-OD2 3.09Å; Q132-D136 WeakPolarHBondContact O-CB 3.34Å; Q132-D136 PolarHBondContact O-N 2.69Å
133M91.4Very high89.1Confident129 Ų12981.3 Ų81.364%0.63540%0.403SS*.Hα-helixtrans-62.7-41.6175.7-77.8177.350.600111.9E129 D130 N131 D136 D137E129-M133 WeakPolarHBondContact O-CB 3.46Å; E129-M133 VanDerWaalsContact O-CG 3.26Å; E129-M133 WeakPolarHBondContact O-CG 3.48Å; E129-M133 PolarHBondContact O-N 2.84Å; D130-M133 PolarHBondContact O-N 2.87Å; N131-M133 VanDerWaalsContact C-N 3.31Å; N131-M133 PolarHBondContact O-N 3.31Å; M133-D136 PolarHBondContact O-N 2.86Å; M133-D137 WeakPolarHBondContact O-CB 3.49Å; M133-D137 PolarHBondContact O-N 3.23Å
134W90.8Very high89Confident153 Ų15378.3 Ų78.358%0.5840%0.403SS*.Hα-helixtrans-63.1-45.6175.7-179.286.4000111.9D130 N131 D136 D137 H138D130-W134 PolarHBondContact O-N 2.78Å; N131-W134 PolarHBondContact O-N 2.92Å; W134-D136 VanDerWaalsContact C-N 3.32Å; W134-D136 PolarHBondContact O-N 2.82Å; W134-D137 PolarHBondContact O-N 3.2Å; W134-H138 WeakPolarHBondContact O-CB 3.44Å; W134-H138 PolarHBondContact O-N 3.44Å
135I90.7Very high88.7Confident35 Ų3585.9 Ų85.918%0.17943%0.427CS..Hα-helixtrans-59.1-45.7175.4-68.9171.2000110.4N131 Q132 H138 R139N131-I135 WeakPolarHBondContact O-CG1 3.33Å; N131-I135 PolarHBondContact O-N 3Å; Q132-I135 PolarHBondContact O-N 3.16Å; I135-H138 PolarHBondContact O-N 3.18Å; I135-R139 HydrophobicContact CG2-CG 4.35Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.46Å; I135-R139 PolarHBondContact O-N 2.76Å
136D90.6Very high87.8Confident37 Ų3789.6 Ų89.620%0.19844%0.442CS..Hα-helixtrans-67.7-37.9-179-80.1-25.3000112.5Q132 M133 W134 R139 R140 L152Q132-D136 PolarHBondContact NE2-OD1 3.34Å; Q132-D136 PolarHBondContact NE2-OD2 3.33Å; Q132-D136 VanDerWaalsContact NE2-OD2 3.09Å; Q132-D136 WeakPolarHBondContact O-CB 3.34Å; Q132-D136 PolarHBondContact O-N 2.69Å; M133-D136 PolarHBondContact O-N 2.86Å; W134-D136 VanDerWaalsContact C-N 3.32Å; W134-D136 PolarHBondContact O-N 2.82Å; D136-R139 PolarHBondContact O-N 3.01Å; D136-R139 IonicContact OD1-NH1 3.51Å; D136-R140 WeakPolarHBondContact O-CB 3.15Å; D136-R140 WeakPolarHBondContact O-CG 3.18Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-L152 HydrophobicContact CB-CD1 3.91Å
137D90.3Very high86.7Confident110 Ų11087.6 Ų87.659%0.58843%0.431SS*.Hα-helixtrans-63.6-45.9173.3-171.362000111.4M133 W134 R139 R140 S141M133-D137 WeakPolarHBondContact O-CB 3.49Å; M133-D137 PolarHBondContact O-N 3.23Å; W134-D137 PolarHBondContact O-N 3.2Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.88Å; D137-R140 WeakPolarHBondContact O-CB 3.34Å; D137-R140 PolarHBondContact O-N 3.47Å; D137-R140 VanDerWaalsContact O-N 3.07Å; D137-S141 PolarHBondContact O-N 2.94Å
138H89.4Confident85.4Confident45 Ų4587.8 Ų87.821%0.20844%0.437CS..Hα-helixtrans-59.8-43.2176.7-163.284.5000111.7W134 I135 R140 S141 Y142 L170 E188W134-H138 WeakPolarHBondContact O-CB 3.44Å; W134-H138 PolarHBondContact O-N 3.44Å; I135-H138 PolarHBondContact O-N 3.18Å; H138-R140 PolarHBondContact O-N 3.47Å; H138-S141 VanDerWaalsContact O-CB 3.29Å; H138-S141 WeakPolarHBondContact O-CB 3.36Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 PolarHBondContact O-OG 3.11Å; H138-Y142 AromaticContact CD2-CE2 3.93Å; H138-Y142 AromaticContact CD2-CZ 3.91Å; H138-Y142 PolarHBondContact CD2-OH 3.24Å; H138-Y142 AromaticContact NE2-CZ 3.79Å; H138-Y142 PolarHBondContact NE2-OH 3.09Å; H138-L170 HydrophobicContact CB-CD1 4.37Å; H138-E188 IonicContact CD2-OE1 3.98Å; H138-E188 IonicContact CE1-OE1 3.68Å; H138-E188 PolarHBondContact CE1-OE1 2.7Å; H138-E188 IonicContact NE2-OE1 2.76Å; H138-E188 PolarHBondContact NE2-OE1 3.37Å; H138-E188 IonicContact NE2-OE2 3.87Å
139R91Very high84.4Confident9 Ų991.6 Ų91.63%0.03445%0.447CS..Hα-helixtrans-67.8-32.7175.1-70.1173.273.1-143.82.3112.7I135 D136 D137 S141 Y142 L152 P153 L170 D171I135-R139 HydrophobicContact CG2-CG 4.35Å; I135-R139 WeakPolarHBondContact O-CB 3.48Å; I135-R139 WeakPolarHBondContact O-CG 3.46Å; I135-R139 PolarHBondContact O-N 2.76Å; D136-R139 PolarHBondContact O-N 3.01Å; D136-R139 IonicContact OD1-NH1 3.51Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 2.88Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.07Å; R139-Y142 PolarHBondContact O-N 3.5Å; R139-L152 HydrophobicContact CB-CD2 3.31Å; R139-L152 HydrophobicContact CG-CD2 4.46Å; R139-P153 PolarHBondContact NH1-O 3.45Å; R139-P153 PolarHBondContact NH2-O 3.37Å; R139-L170 HydrophobicContact CG-CB 4.16Å; R139-D171 IonicContact CZ-OD1 3.87Å; R139-D171 IonicContact NE-OD1 3.21Å; R139-D171 IonicContact NH2-OD1 2.64Å; R139-D171 PolarHBondContact NH2-OD1 3.25Å; R139-D171 IonicContact NH2-OD2 3.65Å
140R89.6Confident83.7Confident83 Ų8395.6 Ų95.631%0.31346%0.458SS..Hα-helixtrans-66.3-30.5174.1-78173.5-164.3-714.9112D136 D137 H138 Y142 Q143 R150 L152D136-R140 WeakPolarHBondContact O-CB 3.15Å; D136-R140 WeakPolarHBondContact O-CG 3.18Å; D136-R140 PolarHBondContact O-N 2.97Å; D137-R140 WeakPolarHBondContact O-CB 3.34Å; D137-R140 PolarHBondContact O-N 3.47Å; D137-R140 VanDerWaalsContact O-N 3.07Å; H138-R140 PolarHBondContact O-N 3.47Å; R140-Y142 PolarHBondContact O-N 3.1Å; R140-Y142 VanDerWaalsContact O-N 3.12Å; R140-Q143 PolarHBondContact O-N 3.36Å; R140-R150 PolarHBondContact NH1-O 3.39Å; R140-R150 VanDerWaalsContact NH1-O 3.11Å; R140-L152 HydrophobicContact CG-CD1 3.83Å; R140-L152 HydrophobicContact CG-CD2 4.05Å; R140-L152 HydrophobicContact CG-CG 4.11Å; R140-L152 VanDerWaalsContact NH2-CD1 3.31Å
141S87.6Confident83.1Confident81 Ų8197.7 Ų97.757%0.56648%0.475SS*.Hα-helixtrans-56.2-29.6179.481.70000113D137 H138 R139D137-S141 PolarHBondContact O-N 2.94Å; H138-S141 VanDerWaalsContact O-CB 3.29Å; H138-S141 WeakPolarHBondContact O-CB 3.36Å; H138-S141 PolarHBondContact O-N 3.27Å; H138-S141 PolarHBondContact O-OG 3.11Å; R139-S141 VanDerWaalsContact C-N 3.28Å; R139-S141 PolarHBondContact O-N 3.07Å
142Y83.8Confident82.8Confident59 Ų5995 Ų9523%0.23146%0.461CS..THydrogen-bonded Turntrans-84.6-17.7178.4-51.2-53.4000114.3H138 R139 R140 F186 E188H138-Y142 AromaticContact CD2-CE2 3.93Å; H138-Y142 AromaticContact CD2-CZ 3.91Å; H138-Y142 PolarHBondContact CD2-OH 3.24Å; H138-Y142 AromaticContact NE2-CZ 3.79Å; H138-Y142 PolarHBondContact NE2-OH 3.09Å; R139-Y142 PolarHBondContact O-N 3.5Å; R140-Y142 PolarHBondContact O-N 3.1Å; R140-Y142 VanDerWaalsContact O-N 3.12Å; Y142-F186 HydrophobicContact CD1-CB 4.1Å; Y142-F186 AromaticContact CD1-CD1 3.86Å; Y142-F186 HydrophobicContact CD1-CD1 3.86Å; Y142-F186 AromaticContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD2-CB 3.88Å; Y142-F186 HydrophobicContact CD2-CD2 4.17Å; Y142-F186 AromaticContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CE1-CB 4.3Å; Y142-F186 HydrophobicContact CE2-CB 4.08Å; Y142-F186 HydrophobicContact CG-CB 3.89Å; Y142-F186 AromaticContact CG-CD1 3.84Å; Y142-F186 HydrophobicContact CG-CD1 3.84Å; Y142-F186 AromaticContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CE1 4.37Å; Y142-F186 HydrophobicContact CG-CE2 4.49Å; Y142-F186 AromaticContact CG-CG 3.6Å; Y142-F186 HydrophobicContact CG-CG 3.6Å; Y142-F186 WeakPolarHBondContact O-CZ 3.19Å; Y142-E188 PolarHBondContact OH-OE1 2.97Å
143Q82.6Confident82.6Confident42 Ų4295.3 Ų95.320%0.19647%0.469CS..SBendtrans-83.1150.5-175.4-64.8-172.49.100111.5R140 R145 S147R140-Q143 PolarHBondContact O-N 3.36Å; Q143-R145 PolarHBondContact O-N 3.24Å; Q143-S147 VanDerWaalsContact CB-OG 3.28Å; Q143-S147 WeakPolarHBondContact CB-OG 3.42Å; Q143-S147 PolarHBondContact OE1-OG 2.93Å
144P80.5Confident82.4Confident97 Ų9798.7 Ų98.763%0.6348%0.48SS*.  trans-60.9139173.925.6-33.8000110N146 S147P144-N146 PolarHBondContact O-N 3.44Å; P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 2.96Å; P144-S147 PolarHBondContact O-OG 3.42Å
145R75.4Confident82.4Confident230 Ų23092.4 Ų92.487%0.86846%0.46SS*.G310 helixtrans-51-13.9-176.7-68.1-173.5172.9-175.6-2.5115.9Q143 S147 C148Q143-R145 PolarHBondContact O-N 3.24Å; R145-S147 VanDerWaalsContact C-N 3.3Å; R145-C148 PolarHBondContact O-SG 3.37Å
146N69.3Low82.5Confident162 Ų16294.6 Ų94.687%0.86647%0.472SS*.G310 helixtrans-82.8-6.5178.3-64.8-10.7000113.4P144P144-N146 PolarHBondContact O-N 3.44Å
147S68.6Low82.7Confident22 Ų2292.9 Ų92.915%0.15446%0.463CS..G310 helixtrans-91.2-8.2-175.961.70000114.5Q143 P144 R145 K149 R150Q143-S147 VanDerWaalsContact CB-OG 3.28Å; Q143-S147 WeakPolarHBondContact CB-OG 3.42Å; Q143-S147 PolarHBondContact OE1-OG 2.93Å; P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 2.96Å; P144-S147 PolarHBondContact O-OG 3.42Å; R145-S147 VanDerWaalsContact C-N 3.3Å; S147-K149 PolarHBondContact O-N 3.39Å; S147-R150 PolarHBondContact O-N 2.9Å
148C63.3Low82.9Confident83 Ų8388.3 Ų88.356%0.56144%0.439SS*.THydrogen-bonded Turntrans-57.9-17.4-166.5-48.20000115.7R145R145-C148 PolarHBondContact O-SG 3.37Å
149K70.6Confident83.2Confident209 Ų20986.1 Ų86.191%0.90943%0.429SS*.THydrogen-bonded Turntrans-94.6-9.1-178.8-60.3-174.6-178.7-175.90114.2S147S147-K149 PolarHBondContact O-N 3.39Å
150R78.1Confident83.4Confident196 Ų19687.3 Ų87.374%0.7444%0.436SS*.SBendtrans-97147.2-178.5-64.3-174.8-179.9-164.2-0.2109.9R140 S147R140-R150 PolarHBondContact NH1-O 3.39Å; R140-R150 VanDerWaalsContact NH1-O 3.11Å; S147-R150 PolarHBondContact O-N 2.9Å
151P81.1Confident83.8Confident115 Ų11583.3 Ų83.375%0.74742%0.421SS*.PPolyproline II helixtrans-59.5141.9167.527.3-33.7000108.7
152L83.7Confident84.2Confident21 Ų2182 Ų8211%0.1141%0.41CS..PPolyproline II helixtrans-64.1148.4175.8-69.488.4000109.3D136 R139 R140D136-L152 HydrophobicContact CB-CD1 3.91Å; R139-L152 HydrophobicContact CB-CD2 3.31Å; R139-L152 HydrophobicContact CG-CD2 4.46Å; R140-L152 HydrophobicContact CG-CD1 3.83Å; R140-L152 HydrophobicContact CG-CD2 4.05Å; R140-L152 HydrophobicContact CG-CG 4.11Å; R140-L152 VanDerWaalsContact NH2-CD1 3.31Å
153P86.4Confident84.8Confident83 Ų8382.3 Ų82.354%0.53943%0.425SS..PPolyproline II helixtrans-52.6148.9163.1-21.933.7000110.2R139R139-P153 PolarHBondContact NH1-O 3.45Å; R139-P153 PolarHBondContact NH2-O 3.37Å
154K87.3Confident85.5Confident200 Ų20082.7 Ų82.787%0.8743%0.432SS*.PPolyproline II helixtrans-74.9131171.1-64.7-174.1175.9-169.60108.8
155S91.4Very high86.2Confident21 Ų2185 Ų8515%0.14744%0.436CS..PPolyproline II helixtrans-80149.3169.551.60000109.6L170S155-L170 WeakPolarHBondContact CB-O 3.37Å; S155-L170 PolarHBondContact OG-O 2.62Å
156D92.6Very high87.2Confident81 Ų8174.8 Ų74.843%0.43340%0.401SS..SBendtrans-83-23.7-176.9-73.9-30.8000113.5C172 Q173 R174D156-C172 PolarHBondContact N-O 3.25Å; D156-Q173 WeakPolarHBondContact OD2-CA 3.4Å; D156-R174 HydrophobicContact CB-CB 4.13Å; D156-R174 PolarHBondContact OD2-N 2.98Å
157A93.7Very high88.5Confident2 Ų269.2 Ų69.22%0.01737%0.371CS..  trans-166.7162.4179.500000111.3L159 C172 Y182 A282A157-L159 HydrophobicContact CB-CD2 4.16Å; A157-C172 PolarHBondContact O-SG 2.64Å; A157-Y182 HydrophobicContact CB-CD1 4.47Å; A157-Y182 HydrophobicContact CB-CE1 3.8Å; A157-A282 HydrophobicContact CB-CB 4Å
158V94.3Very high89.7Confident13 Ų1368.2 Ų68.28%0.07936%0.364CS..EExtended strand (participates in β ladder)trans-96.9132159.9174.20000108.4L167 L170 A282 S283 A285V158-L167 HydrophobicContact CG1-CD1 3.55Å; V158-L170 HydrophobicContact CG1-CD2 4.02Å; V158-L170 HydrophobicContact CG2-CD2 4.09Å; V158-A282 WeakPolarHBondContact O-CA 3.34Å; V158-S283 WeakPolarHBondContact CB-OG 3.25Å; V158-S283 PolarHBondContact N-O 2.95Å; V158-S283 PolarHBondContact O-N 3Å; V158-S283 PolarHBondContact O-OG 2.94Å; V158-A285 HydrophobicContact CG2-CB 3.99Å
159L96.1Very high91.2Very high0 Ų064.3 Ų64.30%034%0.337CS..EExtended strand (participates in β ladder)trans-105.3128.9-175.4-53.7-177.4000111.1A157 L168 C169 C172 Y182 F277 V280 L281 A282A157-L159 HydrophobicContact CB-CD2 4.16Å; L159-L168 HydrophobicContact CB-CB 4.39Å; L159-L168 WeakPolarHBondContact O-CB 3.21Å; L159-L168 PolarHBondContact O-N 2.92Å; L159-C169 HydrophobicContact CB-CB 4.06Å; L159-C169 HydrophobicContact CD1-CB 4Å; L159-C169 HydrophobicContact CG-CB 4.17Å; L159-C169 PolarHBondContact N-O 2.93Å; L159-C169 PolarHBondContact O-N 3.03Å; L159-C172 HydrophobicContact CD1-CB 3.96Å; L159-C172 HydrophobicContact CG-CB 4.35Å; L159-Y182 HydrophobicContact CD1-CD2 4.35Å; L159-Y182 HydrophobicContact CD1-CG 4.12Å; L159-Y182 HydrophobicContact CD2-CD1 4.15Å; L159-Y182 HydrophobicContact CD2-CD2 3.64Å; L159-Y182 HydrophobicContact CD2-CE1 4.34Å; L159-Y182 HydrophobicContact CD2-CE2 3.85Å; L159-Y182 HydrophobicContact CD2-CG 3.79Å; L159-F277 HydrophobicContact CD1-CB 4.06Å; L159-F277 HydrophobicContact CD1-CD1 4.46Å; L159-F277 HydrophobicContact CD1-CD2 3.7Å; L159-F277 HydrophobicContact CD1-CE2 4.23Å; L159-F277 HydrophobicContact CD1-CG 3.82Å; L159-V280 HydrophobicContact CD1-CG2 4.38Å; L159-V280 HydrophobicContact CD2-CG2 4Å; L159-L281 WeakPolarHBondContact CA-O 3.28Å; L159-A282 HydrophobicContact CD2-CB 4.18Å
160N96.4Very high92.3Very high33 Ų3354.8 Ų54.818%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-120.8150.6178.2-63.1-40.9000111.6A166 L281 S283N160-A166 CarbonylContact C-O 3.48Å; N160-A166 WeakPolarHBondContact CA-O 3.21Å; N160-L281 HydrophobicContact CB-CB 4.26Å; N160-L281 PolarHBondContact N-O 2.75Å; N160-L281 PolarHBondContact O-N 2.73Å; N160-S283 PolarHBondContact ND2-OG 3.17Å
161C96.9Very high93Very high0 Ų047.4 Ų47.40%027%0.272CS..  trans-65.4131.5176.4-178.10000110.8A163 C164 M165 A166 L168 C259 C262C161-A163 PolarHBondContact O-N 3.37Å; C161-C164 VanDerWaalsContact SG-SG 3.61Å; C161-M165 WeakPolarHBondContact O-CA 3.44Å; C161-M165 PolarHBondContact O-N 3.01Å; C161-A166 HydrophobicContact CB-CB 4.36Å; C161-A166 PolarHBondContact N-O 2.96Å; C161-L168 HydrophobicContact CB-CD1 4.18Å; C161-L168 HydrophobicContact CB-CD2 4.22Å; C161-L168 HydrophobicContact CB-CG 4.24Å; C161-C259 HydrophobicContact CB-CB 4.47Å; C161-C262 PolarHBondContact SG-SG 3.21Å
162P96.1Very high93.6Very high53 Ų5342.3 Ų42.334%0.34424%0.238SC..THydrogen-bonded Turntrans-66.2-23.118030.9-40.9000114T264 N279 L281P162-T264 HydrophobicContact CG-CG2 4.15Å; P162-N279 WeakPolarHBondContact CD-O 3.09Å; P162-N279 WeakPolarHBondContact CG-O 3.32Å; P162-L281 HydrophobicContact CB-CG 4.43Å
163A96.2Very high94.1Very high66 Ų6646.9 Ų46.955%0.54526%0.259SS..THydrogen-bonded Turntrans-95.4-44.6-174.700000113.2C161 T264C161-A163 PolarHBondContact O-N 3.37Å; A163-T264 HydrophobicContact CB-CG2 4.41Å; A163-T264 WeakPolarHBondContact CB-OG1 3.38Å
164C96.8Very high94.5Very high49 Ų4947.5 Ų47.533%0.33125%0.251SS..THydrogen-bonded Turntrans-115.82.2-176.964.70000114.4C161 A166 I261 C262C161-C164 VanDerWaalsContact SG-SG 3.61Å; C164-A166 PolarHBondContact O-N 2.9Å; C164-A166 VanDerWaalsContact SG-CB 3.56Å; C164-I261 HydrophobicContact CB-CG2 4.34Å; C164-C262 HydrophobicContact CB-CB 4.01Å
165M96.4Very high94.8Very high145 Ų14540.6 Ų40.671%0.71422%0.222SC*.  trans59.110.5-177.7-56.1-177.1179.900115.4C161C161-M165 WeakPolarHBondContact O-CA 3.44Å; C161-M165 PolarHBondContact O-N 3.01Å
166A96.1Very high94.8Very high16 Ų1646.4 Ų46.413%0.13226%0.256CS..  trans-61.9142.9176.300000112N160 C161 C164 L168 I261N160-A166 CarbonylContact C-O 3.48Å; N160-A166 WeakPolarHBondContact CA-O 3.21Å; C161-A166 HydrophobicContact CB-CB 4.36Å; C161-A166 PolarHBondContact N-O 2.96Å; C164-A166 PolarHBondContact O-N 2.9Å; C164-A166 VanDerWaalsContact SG-CB 3.56Å; A166-L168 PolarHBondContact O-N 2.85Å; A166-I261 HydrophobicContact CB-CD1 3.27Å; A166-I261 HydrophobicContact CB-CG1 4.48Å
167L95.4Very high94.8Very high46 Ų4649.6 Ų49.624%0.24127%0.268CS..EExtended strand (participates in β ladder)trans-60127.3174.4-164.587.9000110.3V158 L170 E188 N189V158-L167 HydrophobicContact CG1-CD1 3.55Å; L167-L170 HydrophobicContact CD1-CD2 3.72Å; L167-L170 HydrophobicContact CD2-CD1 4.35Å; L167-L170 HydrophobicContact CD2-CD2 3.9Å; L167-L170 HydrophobicContact CD2-CG 3.93Å; L167-L170 HydrophobicContact CG-CD2 4.27Å; L167-E188 WeakPolarHBondContact CD2-OE2 3.31Å; L167-N189 WeakPolarHBondContact O-CB 3.44Å; L167-N189 PolarHBondContact O-ND2 2.87Å
168L95.8Very high94.7Very high0 Ų055.2 Ų55.20%029%0.29CS..EExtended strand (participates in β ladder)trans-109.4-34.9176.4-60.7176.8000112L159 C161 A166 V187 E188 C259 V266 F277 V280L159-L168 HydrophobicContact CB-CB 4.39Å; L159-L168 WeakPolarHBondContact O-CB 3.21Å; L159-L168 PolarHBondContact O-N 2.92Å; C161-L168 HydrophobicContact CB-CD1 4.18Å; C161-L168 HydrophobicContact CB-CD2 4.22Å; C161-L168 HydrophobicContact CB-CG 4.24Å; A166-L168 PolarHBondContact O-N 2.85Å; L168-V187 CarbonylContact O-C 3.59Å; L168-V187 WeakPolarHBondContact O-CA 3.47Å; L168-E188 WeakPolarHBondContact CA-O 3.39Å; L168-E188 PolarHBondContact O-N 3.07Å; L168-C259 HydrophobicContact CD2-CB 4.38Å; L168-V266 HydrophobicContact CD1-CB 3.94Å; L168-V266 HydrophobicContact CD1-CG1 3.94Å; L168-V266 HydrophobicContact CD1-CG2 4.13Å; L168-V266 HydrophobicContact CD2-CG2 4.5Å; L168-F277 HydrophobicContact CB-CE1 4.02Å; L168-F277 HydrophobicContact CB-CZ 4.3Å; L168-F277 HydrophobicContact CD1-CD1 4.41Å; L168-F277 HydrophobicContact CD1-CE1 4.07Å; L168-V280 HydrophobicContact CD1-CG1 3.83Å
169C94.5Very high94.6Very high1 Ų158.4 Ų58.41%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-161.9135.6-176.5-171.10000112.4L159 D171 A184 F186 F277L159-C169 HydrophobicContact CB-CB 4.06Å; L159-C169 HydrophobicContact CD1-CB 4Å; L159-C169 HydrophobicContact CG-CB 4.17Å; L159-C169 PolarHBondContact N-O 2.93Å; L159-C169 PolarHBondContact O-N 3.03Å; C169-D171 VanDerWaalsContact SG-C 3.53Å; C169-D171 PolarHBondContact SG-N 2.78Å; C169-D171 PolarHBondContact SG-O 3.04Å; C169-A184 VanDerWaalsContact SG-CB 3.5Å; C169-F186 PolarHBondContact SG-O 3.42Å; C169-F277 HydrophobicContact CB-CE2 4.29Å; C169-F277 HydrophobicContact CB-CZ 4.49Å
170L93.3Very high94.4Very high10 Ų1062.1 Ų62.15%0.05234%0.339CS..SBendtrans-97.9-21.5172.2-64.2177.1000113.6H138 R139 S155 V158 L167H138-L170 HydrophobicContact CB-CD1 4.37Å; R139-L170 HydrophobicContact CG-CB 4.16Å; S155-L170 WeakPolarHBondContact CB-O 3.37Å; S155-L170 PolarHBondContact OG-O 2.62Å; V158-L170 HydrophobicContact CG1-CD2 4.02Å; V158-L170 HydrophobicContact CG2-CD2 4.09Å; L167-L170 HydrophobicContact CD1-CD2 3.72Å; L167-L170 HydrophobicContact CD2-CD1 4.35Å; L167-L170 HydrophobicContact CD2-CD2 3.9Å; L167-L170 HydrophobicContact CD2-CG 3.93Å; L167-L170 HydrophobicContact CG-CD2 4.27Å
171D92.6Very high94.3Very high41 Ų4163.7 Ų63.722%0.21935%0.345CS..SBendtrans-126.797-175.8-166.632.9000111.4R139 C169R139-D171 IonicContact CZ-OD1 3.87Å; R139-D171 IonicContact NE-OD1 3.21Å; R139-D171 IonicContact NH2-OD1 2.64Å; R139-D171 PolarHBondContact NH2-OD1 3.25Å; R139-D171 IonicContact NH2-OD2 3.65Å; C169-D171 VanDerWaalsContact SG-C 3.53Å; C169-D171 PolarHBondContact SG-N 2.78Å; C169-D171 PolarHBondContact SG-O 3.04Å
172C93.9Very high94.3Very high7 Ų764.1 Ų64.15%0.04735%0.346CS..EExtended strand (participates in β ladder)trans-134.7153.9-178.373.80000112.6D156 A157 L159 R183 A184D156-C172 PolarHBondContact N-O 3.25Å; A157-C172 PolarHBondContact O-SG 2.64Å; L159-C172 HydrophobicContact CD1-CB 3.96Å; L159-C172 HydrophobicContact CG-CB 4.35Å; C172-R183 WeakPolarHBondContact CA-O 3.46Å; C172-A184 HydrophobicContact CB-CB 4.27Å
173Q94.1Very high94.3Very high117 Ų11765.7 Ų65.755%0.54735%0.346SS..EExtended strand (participates in β ladder)trans-111.5127.7173.6-174.3-178.818.200109.9D156 Y182 R183D156-Q173 WeakPolarHBondContact OD2-CA 3.4Å; Q173-Y182 CarbonylContact O-C 3.49Å; Q173-Y182 WeakPolarHBondContact O-CA 3.4Å; Q173-R183 PolarHBondContact N-O 3.12Å; Q173-R183 PolarHBondContact O-N 2.93Å
174R94.9Very high94.2Very high97 Ų9762.7 Ų62.737%0.36632%0.321SS..EExtended strand (participates in β ladder)trans-70.6137.8178.3-169.4-178.4-62.1-99-0.8111D156 S179 Y182D156-R174 HydrophobicContact CB-CB 4.13Å; D156-R174 PolarHBondContact OD2-N 2.98Å; R174-S179 PolarHBondContact NH1-O 3.14Å; R174-Y182 HydrophobicContact CB-CD1 4.03Å; R174-Y182 HydrophobicContact CB-CE1 3.93Å; R174-Y182 HydrophobicContact CG-CD1 4.32Å; R174-Y182 HydrophobicContact CG-CE1 3.93Å; R174-Y182 PolarHBondContact NH1-OH 3.42Å; R174-Y182 PolarHBondContact NH2-OH 2.89Å; R174-Y182 VanDerWaalsContact NH2-OH 3.16Å
175H92.8Very high94.1Very high55 Ų5566.2 Ų66.226%0.25533%0.334SS..  trans-67.3138.4176.3-172.2-97.7000111.2E177 Y178 Q181H175-E177 PolarHBondContact ND1-N 2.99Å; H175-E177 PolarHBondContact O-N 2.86Å; H175-Y178 WeakPolarHBondContact CB-O 3.29Å; H175-Y178 AromaticContact CE1-CD2 3.51Å; H175-Y178 AromaticContact ND1-CD2 3.35Å; H175-Y178 VanDerWaalsContact ND1-CD2 3.35Å; H175-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H175-Y178 AromaticContact ND1-CG 3.87Å; H175-Y178 PolarHBondContact ND1-N 2.86Å; H175-Y178 VanDerWaalsContact ND1-N 3.14Å; H175-Q181 HydrophobicContact CB-CB 3.92Å; H175-Q181 WeakPolarHBondContact CB-O 3.4Å; H175-Q181 PolarHBondContact N-O 2.87Å
176V92Very high93.9Very high143 Ų14362.5 Ų62.587%0.86731%0.314SS*.SBendtrans-64.9-40.3-174-178.30000112
177E91.8Very high93.8Very high148 Ų14863.3 Ų63.369%0.69232%0.317SS*.SBendtrans-90.4-26-178.5-53.6-175.8164.300113.2H175H175-E177 PolarHBondContact ND1-N 2.99Å; H175-E177 PolarHBondContact O-N 2.86Å
178Y92.4Very high93.7Very high120 Ų12063.4 Ų63.447%0.47132%0.316SS..  trans-127.196.8-170.7-59.9-61.6000109.2H175 S180 Q181H175-Y178 WeakPolarHBondContact CB-O 3.29Å; H175-Y178 AromaticContact CE1-CD2 3.51Å; H175-Y178 AromaticContact ND1-CD2 3.35Å; H175-Y178 VanDerWaalsContact ND1-CD2 3.35Å; H175-Y178 WeakPolarHBondContact ND1-CD2 3.38Å; H175-Y178 AromaticContact ND1-CG 3.87Å; H175-Y178 PolarHBondContact ND1-N 2.86Å; H175-Y178 VanDerWaalsContact ND1-N 3.14Å; Y178-S180 PolarHBondContact O-N 3.23Å; Y178-Q181 PolarHBondContact O-N 3.32Å
179S91.1Very high93.7Very high80 Ų8066.2 Ų66.256%0.55933%0.331SS*.THydrogen-bonded Turntrans-61.8-19.7-175.959.30000114.1R174R174-S179 PolarHBondContact NH1-O 3.14Å
180S91.9Very high93.8Very high78 Ų7867.2 Ų67.255%0.54534%0.338SS..THydrogen-bonded Turntrans-89.7-1.1178.364.30000114.2Y178Y178-S180 PolarHBondContact O-N 3.23Å
181Q95Very high94Very high66 Ų6669.9 Ų69.931%0.30836%0.355SS..  trans-110.2145179.3-64.6176.821.500109.7H175 Y178 F277H175-Q181 HydrophobicContact CB-CB 3.92Å; H175-Q181 WeakPolarHBondContact CB-O 3.4Å; H175-Q181 PolarHBondContact N-O 2.87Å; Y178-Q181 PolarHBondContact O-N 3.32Å; Q181-F277 WeakPolarHBondContact CA-O 3.26Å
182Y96.7Very high94.1Very high8 Ų869.7 Ų69.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-135.8145.2-176-59-93.8000110.1A157 L159 Q173 R174 H276 F277 V280 A282A157-Y182 HydrophobicContact CB-CD1 4.47Å; A157-Y182 HydrophobicContact CB-CE1 3.8Å; L159-Y182 HydrophobicContact CD1-CD2 4.35Å; L159-Y182 HydrophobicContact CD1-CG 4.12Å; L159-Y182 HydrophobicContact CD2-CD1 4.15Å; L159-Y182 HydrophobicContact CD2-CD2 3.64Å; L159-Y182 HydrophobicContact CD2-CE1 4.34Å; L159-Y182 HydrophobicContact CD2-CE2 3.85Å; L159-Y182 HydrophobicContact CD2-CG 3.79Å; Q173-Y182 CarbonylContact O-C 3.49Å; Q173-Y182 WeakPolarHBondContact O-CA 3.4Å; R174-Y182 HydrophobicContact CB-CD1 4.03Å; R174-Y182 HydrophobicContact CB-CE1 3.93Å; R174-Y182 HydrophobicContact CG-CD1 4.32Å; R174-Y182 HydrophobicContact CG-CE1 3.93Å; R174-Y182 PolarHBondContact NH1-OH 3.42Å; R174-Y182 PolarHBondContact NH2-OH 2.89Å; R174-Y182 VanDerWaalsContact NH2-OH 3.16Å; Y182-H276 CarbonylContact O-C 3.57Å; Y182-F277 PolarHBondContact N-O 2.94Å; Y182-F277 PolarHBondContact O-N 3.34Å; Y182-V280 HydrophobicContact CD2-CG2 3.93Å; Y182-V280 HydrophobicContact CE2-CG2 4.25Å; Y182-A282 HydrophobicContact CE2-CB 3.97Å; Y182-A282 WeakPolarHBondContact OH-CB 3.25Å
183R95.5Very high94.2Very high87 Ų8773.4 Ų73.433%0.32837%0.37SS..EExtended strand (participates in β ladder)trans-107.9131.1174-59.8-179.175.4-163.47.3108.1C172 Q173 I274 Y275 H276C172-R183 WeakPolarHBondContact CA-O 3.46Å; Q173-R183 PolarHBondContact N-O 3.12Å; Q173-R183 PolarHBondContact O-N 2.93Å; R183-I274 HydrophobicContact CB-CG2 4.08Å; R183-I274 VanDerWaalsContact NH2-CD1 3.32Å; R183-Y275 CarbonylContact C-O 3.59Å; R183-Y275 VanDerWaalsContact CA-O 3.3Å; R183-Y275 WeakPolarHBondContact CA-O 3.32Å; R183-H276 PolarHBondContact NE-CE1 3.1Å; R183-H276 VanDerWaalsContact NE-CE1 3.34Å
184A95.4Very high94.1Very high3 Ų373.3 Ų73.33%0.02537%0.373CS..EExtended strand (participates in β ladder)trans-138.6150.817800000110.6C169 C172 V187 Y275 F277C169-A184 VanDerWaalsContact SG-CB 3.5Å; C172-A184 HydrophobicContact CB-CB 4.27Å; A184-V187 HydrophobicContact CB-CG1 4.41Å; A184-Y275 PolarHBondContact N-O 3.21Å; A184-Y275 PolarHBondContact O-N 3.05Å; A184-F277 HydrophobicContact CB-CD2 4.17Å; A184-F277 HydrophobicContact CB-CE2 3.82Å
185M93.5Very high93.8Very high123 Ų12376.6 Ų76.661%0.60640%0.398SS*.SBendtrans-97.9-33.5172.9-67.7178.759.300111.8
186F92.6Very high93.6Very high67 Ų6778.3 Ų78.329%0.29441%0.406SS..  trans-118130.9-174.8-52.7-72.8000109.3Y142 C169Y142-F186 HydrophobicContact CD1-CB 4.1Å; Y142-F186 AromaticContact CD1-CD1 3.86Å; Y142-F186 HydrophobicContact CD1-CD1 3.86Å; Y142-F186 AromaticContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD1-CG 3.99Å; Y142-F186 HydrophobicContact CD2-CB 3.88Å; Y142-F186 HydrophobicContact CD2-CD2 4.17Å; Y142-F186 AromaticContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CD2-CG 3.98Å; Y142-F186 HydrophobicContact CE1-CB 4.3Å; Y142-F186 HydrophobicContact CE2-CB 4.08Å; Y142-F186 HydrophobicContact CG-CB 3.89Å; Y142-F186 AromaticContact CG-CD1 3.84Å; Y142-F186 HydrophobicContact CG-CD1 3.84Å; Y142-F186 AromaticContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CD2 3.96Å; Y142-F186 HydrophobicContact CG-CE1 4.37Å; Y142-F186 HydrophobicContact CG-CE2 4.49Å; Y142-F186 AromaticContact CG-CG 3.6Å; Y142-F186 HydrophobicContact CG-CG 3.6Å; Y142-F186 WeakPolarHBondContact O-CZ 3.19Å; C169-F186 PolarHBondContact SG-O 3.42Å
187V94.4Very high93.4Very high32 Ų3274.4 Ų74.419%0.19438%0.384CS..  trans-137.1151.3-174.6-58.60000109.9L168 A184 C190 Y275 F277L168-V187 CarbonylContact O-C 3.59Å; L168-V187 WeakPolarHBondContact O-CA 3.47Å; A184-V187 HydrophobicContact CB-CG1 4.41Å; V187-C190 HydrophobicContact CB-CB 4.17Å; V187-C190 HydrophobicContact CG2-CB 3.74Å; V187-Y275 HydrophobicContact CG1-CD1 3.93Å; V187-Y275 HydrophobicContact CG1-CD2 3.57Å; V187-Y275 HydrophobicContact CG1-CE1 4.33Å; V187-Y275 HydrophobicContact CG1-CE2 4.01Å; V187-Y275 HydrophobicContact CG1-CG 3.53Å; V187-Y275 HydrophobicContact CG2-CD1 4.13Å; V187-Y275 HydrophobicContact CG2-CD2 4.17Å; V187-Y275 HydrophobicContact CG2-CE1 3.69Å; V187-Y275 HydrophobicContact CG2-CE2 3.73Å; V187-Y275 HydrophobicContact CG2-CG 4.36Å; V187-Y275 VanDerWaalsContact CG2-CZ 3.48Å; V187-F277 HydrophobicContact CB-CZ 4.19Å; V187-F277 HydrophobicContact CG1-CE2 3.55Å; V187-F277 HydrophobicContact CG1-CZ 3.44Å; V187-F277 VanDerWaalsContact CG1-CZ 3.44Å
188E94.2Very high93.2Very high49 Ų4971.4 Ų71.423%0.22937%0.372CS..SBendtrans-119.9155174.3-55.3-154140.200109.5H138 Y142 L167 L168 C190H138-E188 IonicContact CD2-OE1 3.98Å; H138-E188 IonicContact CE1-OE1 3.68Å; H138-E188 PolarHBondContact CE1-OE1 2.7Å; H138-E188 IonicContact NE2-OE1 2.76Å; H138-E188 PolarHBondContact NE2-OE1 3.37Å; H138-E188 IonicContact NE2-OE2 3.87Å; Y142-E188 PolarHBondContact OH-OE1 2.97Å; L167-E188 WeakPolarHBondContact CD2-OE2 3.31Å; L168-E188 WeakPolarHBondContact CA-O 3.39Å; L168-E188 PolarHBondContact O-N 3.07Å; E188-C190 PolarHBondContact O-N 3.18Å; E188-C190 PolarHBondContact O-SG 2.91Å
189N95.6Very high92.8Very high58 Ų5869.4 Ų69.431%0.3137%0.373SS..SBendtrans52.234175.3-50.8-39000113.4L167 C259 Q260 I261L167-N189 WeakPolarHBondContact O-CB 3.44Å; L167-N189 PolarHBondContact O-ND2 2.87Å; N189-C259 CarbonylContact O-C 3.59Å; N189-C259 WeakPolarHBondContact O-CA 3.45Å; N189-Q260 WeakPolarHBondContact O-CB 3.5Å; N189-Q260 PolarHBondContact O-N 3.1Å; N189-I261 HydrophobicContact CB-CD1 3.97Å
190C96Very high92.3Very high22 Ų2269.6 Ų69.615%0.14937%0.37CS..EExtended strand (participates in β ladder)trans-121.1141.3-178.7-71.70000110.7V187 E188 V257 F258V187-C190 HydrophobicContact CB-CB 4.17Å; V187-C190 HydrophobicContact CG2-CB 3.74Å; E188-C190 PolarHBondContact O-N 3.18Å; E188-C190 PolarHBondContact O-SG 2.91Å; C190-V257 HydrophobicContact CB-CG1 3.83Å; C190-F258 CarbonylContact C-O 3.54Å; C190-F258 WeakPolarHBondContact CA-O 3.48Å
191T96.7Very high91.4Very high66 Ų6673.9 Ų73.941%0.40538%0.382SS..EExtended strand (participates in β ladder)trans-126123.6176.6-58.70000109.9V257 F258T191-V257 WeakPolarHBondContact O-CA 3.5Å; T191-F258 PolarHBondContact N-O 2.91Å; T191-F258 PolarHBondContact O-N 2.95Å
192V96.5Very high90.1Very high37 Ų3775.4 Ų75.422%0.22440%0.398CS..EExtended strand (participates in β ladder)trans-92.6124179.2-171.40000109.9L194 H255 V257 F269 Y275V192-L194 HydrophobicContact CB-CD2 4.48Å; V192-L194 HydrophobicContact CG1-CD2 3.71Å; V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 2.79Å; V192-H255 HydrophobicContact CG1-CB 3.76Å; V192-V257 HydrophobicContact CG1-CG2 4.34Å; V192-V257 HydrophobicContact CG2-CG1 4.35Å; V192-V257 HydrophobicContact CG2-CG2 4.02Å; V192-F269 HydrophobicContact CG1-CB 3.94Å; V192-F269 HydrophobicContact CG1-CD1 4.21Å; V192-F269 HydrophobicContact CG1-CG 4.26Å; V192-F269 HydrophobicContact CG2-CB 4.45Å; V192-F269 HydrophobicContact CG2-CG 4.46Å; V192-Y275 HydrophobicContact CG2-CE1 3.69Å
193K94.4Very high88.3Confident86 Ų8678.2 Ų78.237%0.37443%0.429SS..  trans-88.892.1172.2-71.8-169.2-169.1163.90110.2N195 E196 P256 F258K193-N195 PolarHBondContact O-N 3.31Å; K193-E196 IonicContact NZ-OE1 3.8Å; K193-E196 PolarHBondContact O-N 3.31Å; K193-P256 HydrophobicContact CB-CG 4.34Å; K193-P256 PolarHBondContact N-O 3.47Å; K193-F258 HydrophobicContact CB-CE2 4.18Å; K193-F258 HydrophobicContact CD-CD2 3.89Å; K193-F258 HydrophobicContact CD-CE2 3.41Å; K193-F258 VanDerWaalsContact CD-CE2 3.41Å; K193-F258 HydrophobicContact CD-CZ 4.14Å; K193-F258 VanDerWaalsContact CE-CE2 3.49Å; K193-F258 HydrophobicContact CG-CD2 3.81Å; K193-F258 HydrophobicContact CG-CE2 3.71Å
194L91.8Very high86.2Confident114 Ų11480 Ų8060%0.59745%0.45SS*.THydrogen-bonded Turntrans-68-15179-59.8176.3000114.1V192 E196 H255V192-L194 HydrophobicContact CB-CD2 4.48Å; V192-L194 HydrophobicContact CG1-CD2 3.71Å; V192-L194 HydrophobicContact CG1-CG 4.35Å; V192-L194 PolarHBondContact O-N 2.79Å; L194-E196 VanDerWaalsContact C-N 3.28Å; L194-H255 HydrophobicContact CD2-CB 4.42Å
195N90Very high84.2Confident166 Ų16691 Ų9189%0.88849%0.49SS*.THydrogen-bonded Turntrans-75.9-20178.8-60.4-25.5000112.7K193K193-N195 PolarHBondContact O-N 3.31Å
196E88.1Confident82.2Confident92 Ų9294 Ų9443%0.4350%0.5SS..  trans-107.7126.8-179.3-67.7171.7-155.100107.9K193 L194 H255 P256K193-E196 IonicContact NZ-OE1 3.8Å; K193-E196 PolarHBondContact O-N 3.31Å; L194-E196 VanDerWaalsContact C-N 3.28Å; E196-H255 PolarHBondContact O-CD2 2.92Å; E196-H255 VanDerWaalsContact O-CD2 3.29Å; E196-P256 HydrophobicContact CB-CG 3.77Å; E196-P256 VanDerWaalsContact O-CD 3.24Å; E196-P256 WeakPolarHBondContact O-CD 3.4Å
197C87.5Confident80.5Confident61 Ų61100.1 Ų100.141%0.41253%0.527SS..  trans-124.8123.4177.7-177.90000109.4Q253C197-Q253 VanDerWaalsContact SG-CB 3.55Å
198L87Confident78.2Confident84 Ų84107.8 Ų107.844%0.4456%0.557SS.*EExtended strand (participates in β ladder)trans-97.2118.7174.9-59.1175000107.9F254 V268L198-F254 HydrophobicContact CB-CB 4.43Å; L198-F254 PolarHBondContact N-O 3.2Å; L198-F254 PolarHBondContact O-N 3Å; L198-V268 HydrophobicContact CD1-CG1 3.98Å
199T85.4Confident76.3Confident79 Ų79116.5 Ų116.549%0.48559%0.588SS.*EExtended strand (participates in β ladder)trans-100.1117.6174.7-48.30000110.1Q201 N252T199-Q201 PolarHBondContact O-N 3.24Å; T199-N252 WeakPolarHBondContact CA-O 3.47Å; T199-N252 HydrophobicContact CG2-CB 4.49Å
200V79.5Confident74.2Confident83 Ų83125 Ų12550%0.50362%0.616SS.*  trans-78.4106.3173.3-179.50000108.1P202 N252 F254V200-P202 WeakPolarHBondContact O-CD 3.4Å; V200-N252 PolarHBondContact N-O 3.15Å; V200-F254 HydrophobicContact CB-CE2 4.28Å; V200-F254 HydrophobicContact CG2-CD2 3.77Å; V200-F254 HydrophobicContact CG2-CE2 3.66Å
201Q73.4Confident72Confident168 Ų168132.8 Ų132.879%0.78565%0.647SS**  trans-64.6124.2171.5-65.8-164.629.100108.6T199 G203T199-Q201 PolarHBondContact O-N 3.24Å; Q201-G203 PolarHBondContact O-N 2.76Å
202P67.1Low69.2Low99 Ų99139.1 Ų139.164%0.64366%0.664SS**  trans-61111175.124.7-32.1000107V200 T204V200-P202 WeakPolarHBondContact O-CD 3.4Å; P202-T204 PolarHBondContact O-N 2.93Å
203G60.5Low67.1Low66 Ų66144.4 Ų144.468%0.6869%0.686SS**  trans-50.7118.6-177.100000108.6Q201 R205Q201-G203 PolarHBondContact O-N 2.76Å; G203-R205 PolarHBondContact O-N 2.97Å
204T51.6Low65Low126 Ų126149.7 Ų149.777%0.77370%0.704SS**  trans-67.975.1179550000108.8P202 K206P202-T204 PolarHBondContact O-N 2.93Å; T204-K206 PolarHBondContact O-N 3.16Å
205R52.4Low63Low233 Ų233153.1 Ų153.188%0.87971%0.714SS**  trans-66.986.6160.4-77.1-171137.1-163.7-2.5105.1G203 K207G203-R205 PolarHBondContact O-N 2.97Å; R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.49Å
206K52Low61Low187 Ų187153.1 Ų153.181%0.81371%0.708SS**  trans-46.497.5168.6-69.8-179.9-179.4176.10106.2T204 K208T204-K206 PolarHBondContact O-N 3.16Å; K206-K208 PolarHBondContact O-N 3.14Å
207K56.4Low58.9Low195 Ų195154.7 Ų154.785%0.84872%0.724SS**  trans-62.194.2167.8-78.4177179.5168.60104.1R205 R209R205-K207 VanDerWaalsContact C-N 3.26Å; R205-K207 PolarHBondContact O-N 3.49Å; K207-R209 PolarHBondContact O-N 2.96Å
208K46.8Very low56.9Low193 Ų193159.1 Ų159.184%0.83974%0.744SS**  trans-57.493.7162.3-85.9-175.5176.1176.70104.8K206 R210K206-K208 PolarHBondContact O-N 3.14Å; K208-R210 PolarHBondContact O-N 3.23Å
209R54.5Low55.1Low231 Ų231159.6 Ų159.687%0.87275%0.754SS**  trans-5992.4166-73.1176.767.7149.1-0.2105.2K207 K211K207-R209 PolarHBondContact O-N 2.96Å; R209-K211 PolarHBondContact O-N 2.91Å
210R50.3Low53.4Low237 Ų237160.9 Ų160.989%0.89477%0.766SS**  trans-65.797.3166-67.4-175.587156.82.8105K208 W212K208-R210 PolarHBondContact O-N 3.23Å; R210-W212 PolarHBondContact O-N 3.45Å
211K49.8Very low52Low185 Ų185162.6 Ų162.680%0.80478%0.782SS**  trans-63.183.7168.9-157.1174.3-171.7178.30105.8R209 Q213R209-K211 PolarHBondContact O-N 2.91Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 2.98Å
212W38.8Very low50.6Low199 Ų199158.5 Ų158.575%0.75478%0.777SS**  trans-7394.6172.2-168.341.2000106.6R210 R214R210-W212 PolarHBondContact O-N 3.45Å; W212-R214 HydrophobicContact CD2-CG 4.25Å; W212-R214 HydrophobicContact CE3-CG 4.01Å; W212-R214 HydrophobicContact CH2-CG 4.38Å; W212-R214 HydrophobicContact CZ3-CG 4.11Å; W212-R214 PolarHBondContact O-N 3.49Å; W212-R214 VanDerWaalsContact O-N 3.1Å
213Q52.2Low49.6Very low148 Ų148161.5 Ų161.569%0.69278%0.782SS**  trans-65.9104.3165.4-71.7-149.8-14.400107.6K211 K215K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 2.98Å; Q213-K215 VanDerWaalsContact C-N 3.32Å; Q213-K215 PolarHBondContact O-N 3Å; Q213-K215 VanDerWaalsContact O-N 3.08Å
214R49.8Very low48.9Very low197 Ų197166.1 Ų166.174%0.74379%0.79SS**  trans-70.396.3160.1-77.9-177.7162.6174.4-7.5107W212 H216W212-R214 HydrophobicContact CD2-CG 4.25Å; W212-R214 HydrophobicContact CE3-CG 4.01Å; W212-R214 HydrophobicContact CH2-CG 4.38Å; W212-R214 HydrophobicContact CZ3-CG 4.11Å; W212-R214 PolarHBondContact O-N 3.49Å; W212-R214 VanDerWaalsContact O-N 3.1Å; R214-H216 PolarHBondContact O-N 3.48Å
215K49Very low48.4Very low186 Ų186163.8 Ų163.881%0.80979%0.791SS**  trans-65.6120.9162.5-107177.3174.9179.20107.6Q213 T217Q213-K215 VanDerWaalsContact C-N 3.32Å; Q213-K215 PolarHBondContact O-N 3Å; Q213-K215 VanDerWaalsContact O-N 3.08Å; K215-T217 PolarHBondContact O-N 3.35Å
216H48.4Very low48.3Very low166 Ų166160.3 Ų160.377%0.76979%0.79SS**  trans-51127.1158.5-92.9-102.3000109.9R214R214-H216 PolarHBondContact O-N 3.48Å
217T44.8Very low47.8Very low126 Ų126156.9 Ų156.977%0.77379%0.787SS**  trans-135.4100.4149.854.40000107.3K215K215-T217 PolarHBondContact O-N 3.35Å
218N45.1Very low47.5Very low154 Ų154155.6 Ų155.682%0.82478%0.784SS**  trans-72.8122.5161.3-84.3-9.5000108
219S48.6Very low47.5Very low94 Ų94155.3 Ų155.366%0.65779%0.786SS**  trans-161.391.3155.452.60000104.4
220S49.6Very low46.7Very low105 Ų105147.9 Ų147.973%0.73478%0.781SS**  57.9134.994.467.20000112.6
221S51Low46.3Very low120 Ų120145.1 Ų145.184%0.83978%0.783SS**  trans67.2136.9173.640.70000116.1
222A44.2Very low46Very low81 Ų81147.3 Ų147.367%0.66979%0.786SS**  cis-170.1153.5-5.600000105.9
223E45Very low46.3Very low163 Ų163143 Ų14376%0.76279%0.786SS**  trans75.6108149.2-45.1-118.3132.500118.5
224L46.7Very low46.1Very low162 Ų162143.3 Ų143.385%0.84879%0.793SS**  76111.6102.4-67.7171000115.1
225G40.5Very low46.2Very low77 Ų77140.2 Ų140.279%0.79480%0.795SS**  trans157.376.2164.200000116.5
226N51.7Low46.1Very low161 Ų161140.2 Ų140.286%0.86179%0.791SS**  trans38.3131.4153.3-11719.5000123.7
227P41Very low46Very low114 Ų114144.4 Ų144.474%0.7480%0.799SS**  trans-106.9135.7169.136.7-24.3000112.9
228E50.3Low45.8Very low169 Ų169143.4 Ų143.479%0.7979%0.786SS**  trans-156.2133.2153.479.3-178.6-177.500112.9
229E45.9Very low45.9Very low187 Ų187143.7 Ų143.787%0.87479%0.787SS**  trans68.5128.4150.9-34-135.3153.100118.7
230G37.7Very low46Very low75 Ų75143.7 Ų143.777%0.77379%0.793SS**  cis178.7151.46.500000109.8
231L42.6Very low46.1Very low179 Ų179145 Ų14594%0.93779%0.792SS**  trans77.593.7164.5-133.466.6000120.6
232R43.1Very low46.3Very low230 Ų230145 Ų14587%0.86879%0.792SS**  trans-76.4136.8158.6-60.9165.6167.1-129.2-2.4109.7
233S46.1Very low47.1Very low108 Ų108142.4 Ų142.476%0.75577%0.769SS**  trans-127.1107.915261.80000109.9V235S233-V235 PolarHBondContact O-N 3.43Å
234N47.3Very low48.2Very low156 Ų156137.2 Ų137.283%0.83475%0.751SS**  trans-63.7104.3167.1-86.7-2.3000108.5R236N234-R236 PolarHBondContact O-N 3.13Å
235V50.7Low49.4Very low131 Ų131136.4 Ų136.479%0.79475%0.748SS**  trans-81.1101.4159.7-177.50000107.2S233 R237S233-V235 PolarHBondContact O-N 3.43Å; V235-R237 PolarHBondContact O-N 3.2Å; V235-R237 VanDerWaalsContact O-N 3.09Å
236R47.6Very low51Low187 Ų187139 Ų13971%0.70674%0.739SS**  trans-49.5109.4170-143.7176.6168.1-170.8-18.2107.9N234 E238N234-R236 PolarHBondContact O-N 3.13Å; R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 VanDerWaalsContact CD-CD 3.47Å; R236-E238 VanDerWaalsContact CD-OE2 3.22Å; R236-E238 WeakPolarHBondContact CD-OE2 3.41Å; R236-E238 HydrophobicContact CG-CG 3.89Å; R236-E238 IonicContact CZ-OE1 2.96Å; R236-E238 IonicContact CZ-OE2 3.1Å; R236-E238 IonicContact NE-OE1 2.7Å; R236-E238 PolarHBondContact NE-OE1 3.47Å; R236-E238 IonicContact NE-OE2 2.99Å; R236-E238 PolarHBondContact NE-OE2 2.51Å; R236-E238 IonicContact NH1-OE2 3.65Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 PolarHBondContact NH2-OE1 3.39Å; R236-E238 IonicContact NH2-OE2 3.39Å; R236-E238 PolarHBondContact NH2-OE2 3.29Å; R236-E238 PolarHBondContact O-N 3.48Å
237R47.5Very low52.3Low253 Ų253134.5 Ų134.596%0.95572%0.715SS**  trans-72.187.8165.5-78-179.8171.2178.3-2.3107V235V235-R237 PolarHBondContact O-N 3.2Å; V235-R237 VanDerWaalsContact O-N 3.09Å
238E40.7Very low54.1Low105 Ų105131.5 Ų131.549%0.49169%0.693SS.*  trans-114.7141.6169.6-75-177.5156.300109.4R236R236-E238 VanDerWaalsContact C-N 3.26Å; R236-E238 VanDerWaalsContact CD-CD 3.47Å; R236-E238 VanDerWaalsContact CD-OE2 3.22Å; R236-E238 WeakPolarHBondContact CD-OE2 3.41Å; R236-E238 HydrophobicContact CG-CG 3.89Å; R236-E238 IonicContact CZ-OE1 2.96Å; R236-E238 IonicContact CZ-OE2 3.1Å; R236-E238 IonicContact NE-OE1 2.7Å; R236-E238 PolarHBondContact NE-OE1 3.47Å; R236-E238 IonicContact NE-OE2 2.99Å; R236-E238 PolarHBondContact NE-OE2 2.51Å; R236-E238 IonicContact NH1-OE2 3.65Å; R236-E238 IonicContact NH2-OE1 2.67Å; R236-E238 PolarHBondContact NH2-OE1 3.39Å; R236-E238 IonicContact NH2-OE2 3.39Å; R236-E238 PolarHBondContact NH2-OE2 3.29Å; R236-E238 PolarHBondContact O-N 3.48Å
239N45.9Very low55.4Low160 Ų160128.9 Ų128.986%0.85668%0.68SS**  trans88.767.9179.7-50.1-21.7000114D241N239-D241 PolarHBondContact O-N 3.26Å
240A50.5Low57.1Low94 Ų94126.9 Ų126.978%0.77767%0.665SS**  trans-64.8117.4148.700000107.9S242A240-S242 PolarHBondContact O-N 3.44Å
241D51.9Low59.3Low132 Ų132128.2 Ų128.271%0.70665%0.649SS**  trans-51.9106.9176.9-162.99.3000111.1N239 S243N239-D241 PolarHBondContact O-N 3.26Å; D241-S243 PolarHBondContact OD1-OG 3.36Å
242S54.8Low61.4Low121 Ų121122.1 Ų122.185%0.84662%0.618SS**  trans-103.639.4174.3-63.30000110.3A240A240-S242 PolarHBondContact O-N 3.44Å
243S60.9Low63.6Low26 Ų26114.4 Ų114.418%0.18259%0.591CS.*  trans-67.8130.7166.252.40000108.6D241 N248D241-S243 PolarHBondContact OD1-OG 3.36Å; S243-N248 PolarHBondContact O-ND2 3.44Å; S243-N248 VanDerWaalsContact OG-CG 3.3Å; S243-N248 PolarHBondContact OG-ND2 3.32Å; S243-N248 PolarHBondContact OG-OD1 3.48Å
244S68.4Low65.9Low55 Ų55110.7 Ų110.739%0.38556%0.562SS.*  trans-60.1152.717667.90000109.7E246 D247 N248S244-E246 PolarHBondContact O-N 2.82Å; S244-E246 VanDerWaalsContact O-N 3.1Å; S244-D247 PolarHBondContact N-OD2 3.01Å; S244-D247 PolarHBondContact O-N 3.49Å; S244-D247 PolarHBondContact OG-N 3.36Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; S244-N248 PolarHBondContact O-N 3.42Å; S244-N248 PolarHBondContact O-ND2 3.49Å
245D73Confident68.2Low145 Ų145105 Ų10578%0.77553%0.53SS*.Hα-helixtrans-54.7-31.8178.7-70.7-41.3000111.7N248 E249D245-N248 PolarHBondContact O-N 2.57Å; D245-E249 PolarHBondContact O-N 2.81Å
246E74.3Confident70.4Confident130 Ų13098.9 Ų98.961%0.60749%0.493SS*.Hα-helixtrans-66.9-40.3176-59.2-172.416600113.1S244 N248 E249 R250S244-E246 PolarHBondContact O-N 2.82Å; S244-E246 VanDerWaalsContact O-N 3.1Å; E246-N248 VanDerWaalsContact C-N 3.31Å; E246-N248 PolarHBondContact O-N 3.34Å; E246-E249 PolarHBondContact O-N 2.99Å; E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.47Å; E246-R250 VanDerWaalsContact O-N 3.1Å
247D78.3Confident72.7Confident68 Ų6890 Ų9036%0.36446%0.46SS..Hα-helixtrans-66.8-37.3178.2-64.9-45.4000111.1S244 K251S244-D247 PolarHBondContact N-OD2 3.01Å; S244-D247 PolarHBondContact O-N 3.49Å; S244-D247 PolarHBondContact OG-N 3.36Å; S244-D247 PolarHBondContact OG-OD2 3.05Å; D247-K251 WeakPolarHBondContact O-CG 3.49Å; D247-K251 PolarHBondContact O-N 3.18Å
248N78Confident75.1Confident51 Ų5179.4 Ų79.427%0.27342%0.421SS..Hα-helixtrans-68-37.8175.4-70.4-50.2000111.4S243 S244 D245 E246 K251 N252S243-N248 PolarHBondContact O-ND2 3.44Å; S243-N248 VanDerWaalsContact OG-CG 3.3Å; S243-N248 PolarHBondContact OG-ND2 3.32Å; S243-N248 PolarHBondContact OG-OD1 3.48Å; S244-N248 PolarHBondContact O-N 3.42Å; S244-N248 PolarHBondContact O-ND2 3.49Å; D245-N248 PolarHBondContact O-N 2.57Å; E246-N248 VanDerWaalsContact C-N 3.31Å; E246-N248 PolarHBondContact O-N 3.34Å; N248-K251 PolarHBondContact O-N 3.33Å; N248-N252 VanDerWaalsContact O-CG 3.31Å; N248-N252 PolarHBondContact O-N 2.96Å; N248-N252 PolarHBondContact O-ND2 3.14Å
249E79.2Confident77.8Confident114 Ų11474.5 Ų74.553%0.53340%0.398SS..Hα-helixtrans-63.9-42.3177.2-168.9167.4-168.100111.8D245 E246 K251 N252 Q253D245-E249 PolarHBondContact O-N 2.81Å; E246-E249 PolarHBondContact O-N 2.99Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.38Å; E249-N252 PolarHBondContact O-N 3.16Å; E249-Q253 WeakPolarHBondContact O-CG 3.22Å
250R80.8Confident80.2Confident144 Ų14472.9 Ų72.954%0.54339%0.385SS..Hα-helixtrans-61.4-40.5175.8-68.6179.5-166.6-174.67.3112.9E246 N252 Q253E246-R250 WeakPolarHBondContact O-CG 3.36Å; E246-R250 PolarHBondContact O-N 3.47Å; E246-R250 VanDerWaalsContact O-N 3.1Å; R250-N252 PolarHBondContact O-N 3.04Å; R250-Q253 WeakPolarHBondContact O-CB 3.38Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.16Å
251K84.2Confident82.4Confident104 Ų10473.3 Ų73.345%0.45237%0.373SS..THydrogen-bonded Turntrans-68.4-11.3175.7-69.6175.6-177.9179.60114.3D247 N248 E249D247-K251 WeakPolarHBondContact O-CG 3.49Å; D247-K251 PolarHBondContact O-N 3.18Å; N248-K251 PolarHBondContact O-N 3.33Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.38Å
252N86Confident84.6Confident51 Ų5169.6 Ų69.627%0.27336%0.357SS..THydrogen-bonded Turntrans-101.95.6176.3-67-45.9000112.4T199 V200 N248 E249 R250 F254T199-N252 WeakPolarHBondContact CA-O 3.47Å; T199-N252 HydrophobicContact CG2-CB 4.49Å; V200-N252 PolarHBondContact N-O 3.15Å; N248-N252 VanDerWaalsContact O-CG 3.31Å; N248-N252 PolarHBondContact O-N 2.96Å; N248-N252 PolarHBondContact O-ND2 3.14Å; E249-N252 PolarHBondContact O-N 3.16Å; R250-N252 PolarHBondContact O-N 3.04Å; N252-F254 WeakPolarHBondContact O-CD2 3.44Å
253Q90.4Very high86.5Confident67 Ų6766.1 Ų66.131%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-96.8123.1178.9-71.7177.47.300110.8C197 E249 R250C197-Q253 VanDerWaalsContact SG-CB 3.55Å; E249-Q253 WeakPolarHBondContact O-CG 3.22Å; R250-Q253 WeakPolarHBondContact O-CB 3.38Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.16Å
254F94.6Very high88.3Confident30 Ų3067 Ų6713%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-127.1138.7-177.9-62.4-83.7000110.9L198 V200 N252 V268 F269 D270L198-F254 HydrophobicContact CB-CB 4.43Å; L198-F254 PolarHBondContact N-O 3.2Å; L198-F254 PolarHBondContact O-N 3Å; V200-F254 HydrophobicContact CB-CE2 4.28Å; V200-F254 HydrophobicContact CG2-CD2 3.77Å; V200-F254 HydrophobicContact CG2-CE2 3.66Å; N252-F254 WeakPolarHBondContact O-CD2 3.44Å; F254-V268 HydrophobicContact CB-CB 4.05Å; F254-V268 HydrophobicContact CB-CG1 4.45Å; F254-V268 HydrophobicContact CB-CG2 4.37Å; F254-V268 HydrophobicContact CD1-CG2 4.19Å; F254-V268 HydrophobicContact CG-CG2 4.48Å; F254-F269 CarbonylContact C-O 3.55Å; F254-F269 WeakPolarHBondContact CA-O 3.3Å; F254-D270 HydrophobicContact CD1-CB 3.93Å; F254-D270 HydrophobicContact CE1-CB 3.75Å; F254-D270 VanDerWaalsContact CE1-CG 3.44Å
255H94.9Very high89.6Confident37 Ų3768.3 Ų68.317%0.17135%0.345CS..EExtended strand (participates in β ladder)trans-105.4130178.4-56.286.1000110.1V192 L194 E196 V268 F269V192-H255 HydrophobicContact CG1-CB 3.76Å; L194-H255 HydrophobicContact CD2-CB 4.42Å; E196-H255 PolarHBondContact O-CD2 2.92Å; E196-H255 VanDerWaalsContact O-CD2 3.29Å; H255-V268 CarbonylContact O-C 3.54Å; H255-V268 WeakPolarHBondContact O-CA 3.08Å; H255-F269 HydrophobicContact CB-CB 4.37Å; H255-F269 PolarHBondContact N-O 3.06Å; H255-F269 PolarHBondContact O-N 3.33Å
256P96.3Very high90.7Very high3 Ų361.4 Ų61.42%0.01931%0.308CS..EExtended strand (participates in β ladder)trans-68143.4-178.827.7-31.6000111.3K193 E196 F258K193-P256 HydrophobicContact CB-CG 4.34Å; K193-P256 PolarHBondContact N-O 3.47Å; E196-P256 HydrophobicContact CB-CG 3.77Å; E196-P256 VanDerWaalsContact O-CD 3.24Å; E196-P256 WeakPolarHBondContact O-CD 3.4Å; P256-F258 HydrophobicContact CB-CE2 3.78Å; P256-F258 HydrophobicContact CB-CZ 4.1Å; P256-F258 HydrophobicContact CG-CE2 4.02Å; P256-F258 HydrophobicContact CG-CZ 4.47Å
257V96.8Very high91.8Very high0 Ų055.2 Ų55.20%028%0.279CS..EExtended strand (participates in β ladder)trans-121.3128.4-177.2-173.60000109.3C190 T191 V192 V266 A267 F269 Y275C190-V257 HydrophobicContact CB-CG1 3.83Å; T191-V257 WeakPolarHBondContact O-CA 3.5Å; V192-V257 HydrophobicContact CG1-CG2 4.34Å; V192-V257 HydrophobicContact CG2-CG1 4.35Å; V192-V257 HydrophobicContact CG2-CG2 4.02Å; V257-V266 PolarHBondContact O-N 3.49Å; V257-A267 WeakPolarHBondContact CA-O 3.46Å; V257-A267 HydrophobicContact CB-CB 3.86Å; V257-A267 WeakPolarHBondContact CB-O 3.37Å; V257-A267 HydrophobicContact CG1-CB 4.38Å; V257-A267 HydrophobicContact CG2-CB 4.22Å; V257-A267 PolarHBondContact N-O 3.14Å; V257-A267 PolarHBondContact O-N 3.36Å; V257-F269 HydrophobicContact CG2-CB 3.74Å; V257-Y275 HydrophobicContact CG1-CD1 4.16Å; V257-Y275 HydrophobicContact CG1-CE1 4.13Å; V257-Y275 HydrophobicContact CG2-CD1 3.94Å; V257-Y275 HydrophobicContact CG2-CE1 4.1Å
258F97.1Very high92.6Very high31 Ų3153 Ų5314%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-113.6147.9-176.8-61.1-92.7000110.2C190 T191 K193 P256 Q260 G263 T264 E265C190-F258 CarbonylContact C-O 3.54Å; C190-F258 WeakPolarHBondContact CA-O 3.48Å; T191-F258 PolarHBondContact N-O 2.91Å; T191-F258 PolarHBondContact O-N 2.95Å; K193-F258 HydrophobicContact CB-CE2 4.18Å; K193-F258 HydrophobicContact CD-CD2 3.89Å; K193-F258 HydrophobicContact CD-CE2 3.41Å; K193-F258 VanDerWaalsContact CD-CE2 3.41Å; K193-F258 HydrophobicContact CD-CZ 4.14Å; K193-F258 VanDerWaalsContact CE-CE2 3.49Å; K193-F258 HydrophobicContact CG-CD2 3.81Å; K193-F258 HydrophobicContact CG-CE2 3.71Å; P256-F258 HydrophobicContact CB-CE2 3.78Å; P256-F258 HydrophobicContact CB-CZ 4.1Å; P256-F258 HydrophobicContact CG-CE2 4.02Å; P256-F258 HydrophobicContact CG-CZ 4.47Å; F258-Q260 PolarHBondContact O-N 2.93Å; F258-G263 WeakPolarHBondContact CD1-O 3.45Å; F258-T264 CarbonylContact C-O 3.57Å; F258-T264 VanDerWaalsContact CA-O 3.28Å; F258-T264 WeakPolarHBondContact CA-O 3.07Å; F258-E265 HydrophobicContact CD1-CB 3.96Å; F258-E265 HydrophobicContact CE1-CB 3.77Å; F258-E265 HydrophobicContact CE1-CG 4.17Å; F258-E265 HydrophobicContact CZ-CG 4.47Å
259C97.5Very high93.5Very high1 Ų152.8 Ų52.81%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-62.3127.4166.3179.60000108.8C161 L168 N189 I261 G263 T264 V266C161-C259 HydrophobicContact CB-CB 4.47Å; L168-C259 HydrophobicContact CD2-CB 4.38Å; N189-C259 CarbonylContact O-C 3.59Å; N189-C259 WeakPolarHBondContact O-CA 3.45Å; C259-I261 PolarHBondContact O-N 3.07Å; C259-G263 WeakPolarHBondContact O-CA 3.22Å; C259-G263 PolarHBondContact O-N 3.38Å; C259-T264 PolarHBondContact N-O 2.9Å; C259-V266 HydrophobicContact CB-CG1 4.25Å
260Q96.9Very high94.2Very high126 Ų12648.1 Ų48.159%0.58924%0.243SC*.THydrogen-bonded Turntrans-65-28.1-179.6-175.2176.8-3.600112.3N189 F258N189-Q260 WeakPolarHBondContact O-CB 3.5Å; N189-Q260 PolarHBondContact O-N 3.1Å; F258-Q260 PolarHBondContact O-N 2.93Å
261I97.1Very high94.7Very high104 Ų10444.4 Ų44.453%0.53324%0.239SC..THydrogen-bonded Turntrans-82.9-46.3-173.8-67.4158.8000111.8C164 A166 N189 C259C164-I261 HydrophobicContact CB-CG2 4.34Å; A166-I261 HydrophobicContact CB-CD1 3.27Å; A166-I261 HydrophobicContact CB-CG1 4.48Å; N189-I261 HydrophobicContact CB-CD1 3.97Å; C259-I261 PolarHBondContact O-N 3.07Å
262C97.1Very high95.1Very high54 Ų5444.6 Ų44.637%0.36525%0.245SC..THydrogen-bonded Turntrans-116-6.5-175.265.70000114.7C161 C164 T264C161-C262 PolarHBondContact SG-SG 3.21Å; C164-C262 HydrophobicContact CB-CB 4.01Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 3.46Å; C262-T264 PolarHBondContact SG-OG1 3.44Å
263G95.7Very high95.4Very high48 Ų4843.6 Ų43.650%0.49525%0.246SC..  trans73.511.7-179.800000115.1F258 C259F258-G263 WeakPolarHBondContact CD1-O 3.45Å; C259-G263 WeakPolarHBondContact O-CA 3.22Å; C259-G263 PolarHBondContact O-N 3.38Å
264T96.9Very high95.6Very high45 Ų4541.9 Ų41.928%0.27624%0.239SC..  trans-71.8137.4175.9-55.10000110.7P162 A163 F258 C259 C262 V266P162-T264 HydrophobicContact CG-CG2 4.15Å; A163-T264 HydrophobicContact CB-CG2 4.41Å; A163-T264 WeakPolarHBondContact CB-OG1 3.38Å; F258-T264 CarbonylContact C-O 3.57Å; F258-T264 VanDerWaalsContact CA-O 3.28Å; F258-T264 WeakPolarHBondContact CA-O 3.07Å; C259-T264 PolarHBondContact N-O 2.9Å; C262-T264 VanDerWaalsContact C-N 3.27Å; C262-T264 PolarHBondContact O-N 3.46Å; C262-T264 PolarHBondContact SG-OG1 3.44Å; T264-V266 PolarHBondContact O-N 3.49Å
265E96.6Very high95.8Very high82 Ų8242.3 Ų42.338%0.38324%0.24SC..EExtended strand (participates in β ladder)trans-70.5123.1173.7-170.8-178.9175.700110.3F258 F278F258-E265 HydrophobicContact CD1-CB 3.96Å; F258-E265 HydrophobicContact CE1-CB 3.77Å; F258-E265 HydrophobicContact CE1-CG 4.17Å; F258-E265 HydrophobicContact CZ-CG 4.47Å; E265-F278 HydrophobicContact CG-CE2 4.23Å; E265-F278 HydrophobicContact CG-CZ 4.17Å
266V96.6Very high95.8Very high0 Ų042.5 Ų42.50%024%0.241CC..EExtended strand (participates in β ladder)trans-128.1-18.8-171.5-66.90000113.9L168 V257 C259 T264 F277 F278 V280L168-V266 HydrophobicContact CD1-CB 3.94Å; L168-V266 HydrophobicContact CD1-CG1 3.94Å; L168-V266 HydrophobicContact CD1-CG2 4.13Å; L168-V266 HydrophobicContact CD2-CG2 4.5Å; V257-V266 PolarHBondContact O-N 3.49Å; C259-V266 HydrophobicContact CB-CG1 4.25Å; T264-V266 PolarHBondContact O-N 3.49Å; V266-F277 HydrophobicContact CB-CD1 4.45Å; V266-F277 HydrophobicContact CG2-CE1 4.2Å; V266-F277 WeakPolarHBondContact O-CA 3.26Å; V266-F277 WeakPolarHBondContact O-CD1 3.45Å; V266-F278 CarbonylContact C-O 3.54Å; V266-F278 PolarHBondContact O-N 3.35Å; V266-V280 HydrophobicContact CB-CG1 4.3Å
267A96.8Very high95.8Very high0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-158175179.800000112.5V257 H276 F277 F278V257-A267 WeakPolarHBondContact CA-O 3.46Å; V257-A267 HydrophobicContact CB-CB 3.86Å; V257-A267 WeakPolarHBondContact CB-O 3.37Å; V257-A267 HydrophobicContact CG1-CB 4.38Å; V257-A267 HydrophobicContact CG2-CB 4.22Å; V257-A267 PolarHBondContact N-O 3.14Å; V257-A267 PolarHBondContact O-N 3.36Å; A267-H276 CarbonylContact C-O 3.6Å; A267-H276 VanDerWaalsContact CA-O 3.22Å; A267-H276 WeakPolarHBondContact CA-O 3.46Å; A267-H276 VanDerWaalsContact CB-O 3.3Å; A267-H276 WeakPolarHBondContact CB-O 3.04Å; A267-F277 HydrophobicContact CB-CB 4.4Å; A267-F277 HydrophobicContact CB-CD1 3.57Å; A267-F277 HydrophobicContact CB-CD2 4.48Å; A267-F277 HydrophobicContact CB-CE1 3.87Å; A267-F277 HydrophobicContact CB-CG 3.91Å; A267-F277 HydrophobicContact CB-CZ 4.46Å; A267-F278 VanDerWaalsContact C-CE1 3.41Å
268V96.1Very high95.7Very high22 Ų2245 Ų4513%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-123.5147.2162-74.30000110.4L198 F254 H255 H276 F278L198-V268 HydrophobicContact CD1-CG1 3.98Å; F254-V268 HydrophobicContact CB-CB 4.05Å; F254-V268 HydrophobicContact CB-CG1 4.45Å; F254-V268 HydrophobicContact CB-CG2 4.37Å; F254-V268 HydrophobicContact CD1-CG2 4.19Å; F254-V268 HydrophobicContact CG-CG2 4.48Å; H255-V268 CarbonylContact O-C 3.54Å; H255-V268 WeakPolarHBondContact O-CA 3.08Å; V268-H276 HydrophobicContact CG2-CB 3.79Å; V268-H276 PolarHBondContact N-O 2.72Å; V268-H276 PolarHBondContact O-N 3.27Å; V268-F278 HydrophobicContact CB-CE1 4.22Å; V268-F278 HydrophobicContact CG1-CE1 3.75Å; V268-F278 HydrophobicContact CG1-CZ 4.12Å; V268-F278 HydrophobicContact CG2-CE1 4.05Å
269F96.4Very high95.5Very high46 Ų4649.2 Ų49.220%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-109.3122.3-177.2-177-106.9000110.4V192 F254 H255 V257 G273 Y275V192-F269 HydrophobicContact CG1-CB 3.94Å; V192-F269 HydrophobicContact CG1-CD1 4.21Å; V192-F269 HydrophobicContact CG1-CG 4.26Å; V192-F269 HydrophobicContact CG2-CB 4.45Å; V192-F269 HydrophobicContact CG2-CG 4.46Å; F254-F269 CarbonylContact C-O 3.55Å; F254-F269 WeakPolarHBondContact CA-O 3.3Å; H255-F269 HydrophobicContact CB-CB 4.37Å; H255-F269 PolarHBondContact N-O 3.06Å; H255-F269 PolarHBondContact O-N 3.33Å; V257-F269 HydrophobicContact CG2-CB 3.74Å; F269-G273 VanDerWaalsContact CE2-C 3.48Å; F269-Y275 HydrophobicContact CB-CE1 4.48Å; F269-Y275 AromaticContact CD2-CD1 3.86Å; F269-Y275 HydrophobicContact CD2-CD1 3.86Å; F269-Y275 AromaticContact CD2-CD2 3.93Å; F269-Y275 HydrophobicContact CD2-CD2 3.93Å; F269-Y275 AromaticContact CD2-CE1 3.62Å; F269-Y275 HydrophobicContact CD2-CE1 3.62Å; F269-Y275 AromaticContact CD2-CE2 3.71Å; F269-Y275 HydrophobicContact CD2-CE2 3.71Å; F269-Y275 AromaticContact CD2-CG 4Å; F269-Y275 HydrophobicContact CD2-CG 4Å; F269-Y275 AromaticContact CD2-CZ 3.54Å; F269-Y275 HydrophobicContact CE2-CD2 4.08Å; F269-Y275 HydrophobicContact CE2-CE1 4.23Å; F269-Y275 AromaticContact CE2-CE2 3.58Å; F269-Y275 HydrophobicContact CE2-CE2 3.58Å; F269-Y275 AromaticContact CE2-CZ 3.65Å; F269-Y275 HydrophobicContact CG-CE1 4.36Å
270D93.8Very high95.3Very high15 Ų1550.1 Ų50.18%0.0828%0.281CS..  trans-89.2166.2-176.7-164.86000112.3F254 D272 G273 I274 H276F254-D270 HydrophobicContact CD1-CB 3.93Å; F254-D270 HydrophobicContact CE1-CB 3.75Å; F254-D270 VanDerWaalsContact CE1-CG 3.44Å; D270-D272 PolarHBondContact O-N 3.34Å; D270-G273 PolarHBondContact O-N 3.29Å; D270-G273 VanDerWaalsContact O-N 3.15Å; D270-I274 PolarHBondContact N-O 3.38Å; D270-H276 IonicContact OD2-NE2 3.88Å
271C91.5Very high95.2Very high67 Ų6748 Ų4845%0.45327%0.273SS..THydrogen-bonded Turntrans-63.4-25.7176.469.70000113.5G273C271-G273 PolarHBondContact O-N 3.37Å
272D92.1Very high95.2Very high108 Ų10845.4 Ų45.458%0.57827%0.268SS*.THydrogen-bonded Turntrans-76.51.8177.7-71.6-14.5000112.9D270 I274D270-D272 PolarHBondContact O-N 3.34Å; D272-I274 HydrophobicContact CB-CD1 4.11Å; D272-I274 HydrophobicContact CB-CG1 4.27Å
273G92.9Very high94.9Very high30 Ų3045.1 Ų45.131%0.30927%0.266SS..SBendtrans78.421.4-178.600000113.7F269 D270 C271F269-G273 VanDerWaalsContact CE2-C 3.48Å; D270-G273 PolarHBondContact O-N 3.29Å; D270-G273 VanDerWaalsContact O-N 3.15Å; C271-G273 PolarHBondContact O-N 3.37Å
274I95.1Very high94.2Very high31 Ų3153.5 Ų53.516%0.15928%0.284CS..  trans-106.1134.1-176.4-58.7172.7000109.6R183 D270 D272R183-I274 HydrophobicContact CB-CG2 4.08Å; R183-I274 VanDerWaalsContact NH2-CD1 3.32Å; D270-I274 PolarHBondContact N-O 3.38Å; D272-I274 HydrophobicContact CB-CD1 4.11Å; D272-I274 HydrophobicContact CB-CG1 4.27Å
275Y96.8Very high92.6Very high38 Ų3854.4 Ų54.415%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-88.5125.3171.7-64.6-96.2000109.9R183 A184 V187 V192 V257 F269R183-Y275 CarbonylContact C-O 3.59Å; R183-Y275 VanDerWaalsContact CA-O 3.3Å; R183-Y275 WeakPolarHBondContact CA-O 3.32Å; A184-Y275 PolarHBondContact N-O 3.21Å; A184-Y275 PolarHBondContact O-N 3.05Å; V187-Y275 HydrophobicContact CG1-CD1 3.93Å; V187-Y275 HydrophobicContact CG1-CD2 3.57Å; V187-Y275 HydrophobicContact CG1-CE1 4.33Å; V187-Y275 HydrophobicContact CG1-CE2 4.01Å; V187-Y275 HydrophobicContact CG1-CG 3.53Å; V187-Y275 HydrophobicContact CG2-CD1 4.13Å; V187-Y275 HydrophobicContact CG2-CD2 4.17Å; V187-Y275 HydrophobicContact CG2-CE1 3.69Å; V187-Y275 HydrophobicContact CG2-CE2 3.73Å; V187-Y275 HydrophobicContact CG2-CG 4.36Å; V187-Y275 VanDerWaalsContact CG2-CZ 3.48Å; V192-Y275 HydrophobicContact CG2-CE1 3.69Å; V257-Y275 HydrophobicContact CG1-CD1 4.16Å; V257-Y275 HydrophobicContact CG1-CE1 4.13Å; V257-Y275 HydrophobicContact CG2-CD1 3.94Å; V257-Y275 HydrophobicContact CG2-CE1 4.1Å; F269-Y275 HydrophobicContact CB-CE1 4.48Å; F269-Y275 AromaticContact CD2-CD1 3.86Å; F269-Y275 HydrophobicContact CD2-CD1 3.86Å; F269-Y275 AromaticContact CD2-CD2 3.93Å; F269-Y275 HydrophobicContact CD2-CD2 3.93Å; F269-Y275 AromaticContact CD2-CE1 3.62Å; F269-Y275 HydrophobicContact CD2-CE1 3.62Å; F269-Y275 AromaticContact CD2-CE2 3.71Å; F269-Y275 HydrophobicContact CD2-CE2 3.71Å; F269-Y275 AromaticContact CD2-CG 4Å; F269-Y275 HydrophobicContact CD2-CG 4Å; F269-Y275 AromaticContact CD2-CZ 3.54Å; F269-Y275 HydrophobicContact CE2-CD2 4.08Å; F269-Y275 HydrophobicContact CE2-CE1 4.23Å; F269-Y275 AromaticContact CE2-CE2 3.58Å; F269-Y275 HydrophobicContact CE2-CE2 3.58Å; F269-Y275 AromaticContact CE2-CZ 3.65Å; F269-Y275 HydrophobicContact CG-CE1 4.36Å
276H96Very high92.4Very high42 Ų4253.1 Ų53.119%0.19429%0.292CS..EExtended strand (participates in β ladder)trans-105.496.5174.5-68.8-99.4000109.2Y182 R183 A267 V268 D270 F278Y182-H276 CarbonylContact O-C 3.57Å; R183-H276 PolarHBondContact NE-CE1 3.1Å; R183-H276 VanDerWaalsContact NE-CE1 3.34Å; A267-H276 CarbonylContact C-O 3.6Å; A267-H276 VanDerWaalsContact CA-O 3.22Å; A267-H276 WeakPolarHBondContact CA-O 3.46Å; A267-H276 VanDerWaalsContact CB-O 3.3Å; A267-H276 WeakPolarHBondContact CB-O 3.04Å; V268-H276 HydrophobicContact CG2-CB 3.79Å; V268-H276 PolarHBondContact N-O 2.72Å; V268-H276 PolarHBondContact O-N 3.27Å; D270-H276 IonicContact OD2-NE2 3.88Å; H276-F278 WeakPolarHBondContact O-CD1 3.3Å
277F97.1Very high92.2Very high1 Ų155.8 Ų55.80%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-77.5136.9-179.3-74.9-82.7000112L159 L168 C169 Q181 Y182 A184 V187 V266 A267 V280L159-F277 HydrophobicContact CD1-CB 4.06Å; L159-F277 HydrophobicContact CD1-CD1 4.46Å; L159-F277 HydrophobicContact CD1-CD2 3.7Å; L159-F277 HydrophobicContact CD1-CE2 4.23Å; L159-F277 HydrophobicContact CD1-CG 3.82Å; L168-F277 HydrophobicContact CB-CE1 4.02Å; L168-F277 HydrophobicContact CB-CZ 4.3Å; L168-F277 HydrophobicContact CD1-CD1 4.41Å; L168-F277 HydrophobicContact CD1-CE1 4.07Å; C169-F277 HydrophobicContact CB-CE2 4.29Å; C169-F277 HydrophobicContact CB-CZ 4.49Å; Q181-F277 WeakPolarHBondContact CA-O 3.26Å; Y182-F277 PolarHBondContact N-O 2.94Å; Y182-F277 PolarHBondContact O-N 3.34Å; A184-F277 HydrophobicContact CB-CD2 4.17Å; A184-F277 HydrophobicContact CB-CE2 3.82Å; V187-F277 HydrophobicContact CB-CZ 4.19Å; V187-F277 HydrophobicContact CG1-CE2 3.55Å; V187-F277 HydrophobicContact CG1-CZ 3.44Å; V187-F277 VanDerWaalsContact CG1-CZ 3.44Å; V266-F277 HydrophobicContact CB-CD1 4.45Å; V266-F277 HydrophobicContact CG2-CE1 4.2Å; V266-F277 WeakPolarHBondContact O-CA 3.26Å; V266-F277 WeakPolarHBondContact O-CD1 3.45Å; A267-F277 HydrophobicContact CB-CB 4.4Å; A267-F277 HydrophobicContact CB-CD1 3.57Å; A267-F277 HydrophobicContact CB-CD2 4.48Å; A267-F277 HydrophobicContact CB-CE1 3.87Å; A267-F277 HydrophobicContact CB-CG 3.91Å; A267-F277 HydrophobicContact CB-CZ 4.46Å; F277-V280 HydrophobicContact CB-CG1 4Å; F277-V280 HydrophobicContact CB-CG2 4.05Å; F277-V280 HydrophobicContact CD1-CG1 3.62Å; F277-V280 HydrophobicContact CG-CG1 4.2Å
278F94.6Very high91.9Very high53 Ų5358.9 Ų58.923%0.23233%0.325CS..  trans-141157.3170.853.1-93.2000108.9E265 V266 A267 V268 H276 V280E265-F278 HydrophobicContact CG-CE2 4.23Å; E265-F278 HydrophobicContact CG-CZ 4.17Å; V266-F278 CarbonylContact C-O 3.54Å; V266-F278 PolarHBondContact O-N 3.35Å; A267-F278 VanDerWaalsContact C-CE1 3.41Å; V268-F278 HydrophobicContact CB-CE1 4.22Å; V268-F278 HydrophobicContact CG1-CE1 3.75Å; V268-F278 HydrophobicContact CG1-CZ 4.12Å; V268-F278 HydrophobicContact CG2-CE1 4.05Å; H276-F278 WeakPolarHBondContact O-CD1 3.3Å; F278-V280 PolarHBondContact O-N 2.86Å
279N91.1Very high91.7Very high121 Ų12161.1 Ų61.165%0.64734%0.336SS*.SBendtrans56.532-175.9-56.8-22.1000114.1P162P162-N279 WeakPolarHBondContact CD-O 3.09Å; P162-N279 WeakPolarHBondContact CG-O 3.32Å
280V94.5Very high91.4Very high20 Ų2062.1 Ų62.112%0.12134%0.344CS..  trans-100.1154176.8-67.70000112.1L159 L168 Y182 V266 F277 F278L159-V280 HydrophobicContact CD1-CG2 4.38Å; L159-V280 HydrophobicContact CD2-CG2 4Å; L168-V280 HydrophobicContact CD1-CG1 3.83Å; Y182-V280 HydrophobicContact CD2-CG2 3.93Å; Y182-V280 HydrophobicContact CE2-CG2 4.25Å; V266-V280 HydrophobicContact CB-CG1 4.3Å; F277-V280 HydrophobicContact CB-CG1 4Å; F277-V280 HydrophobicContact CB-CG2 4.05Å; F277-V280 HydrophobicContact CD1-CG1 3.62Å; F277-V280 HydrophobicContact CG-CG1 4.2Å; F278-V280 PolarHBondContact O-N 2.86Å
281L95.6Very high91.2Very high81 Ų8165.2 Ų65.242%0.42436%0.362SS..EExtended strand (participates in β ladder)trans-87.9121.4170-63.5176000108.6L159 N160 P162L159-L281 WeakPolarHBondContact CA-O 3.28Å; N160-L281 HydrophobicContact CB-CB 4.26Å; N160-L281 PolarHBondContact N-O 2.75Å; N160-L281 PolarHBondContact O-N 2.73Å; P162-L281 HydrophobicContact CB-CG 4.43Å
282A95.5Very high91.2Very high50 Ų5065.1 Ų65.141%0.41336%0.356SS..EExtended strand (participates in β ladder)trans-100.2115.8177.200000109.9A157 V158 L159 Y182A157-A282 HydrophobicContact CB-CB 4Å; V158-A282 WeakPolarHBondContact O-CA 3.34Å; L159-A282 HydrophobicContact CD2-CB 4.18Å; Y182-A282 HydrophobicContact CE2-CB 3.97Å; Y182-A282 WeakPolarHBondContact OH-CB 3.25Å
283S91.5Very high91.1Very high48 Ų4861.8 Ų61.834%0.33634%0.339SS..EExtended strand (participates in β ladder)trans-95.8157.5167.751.20000110.6V158 N160V158-S283 WeakPolarHBondContact CB-OG 3.25Å; V158-S283 PolarHBondContact N-O 2.95Å; V158-S283 PolarHBondContact O-N 3Å; V158-S283 PolarHBondContact O-OG 2.94Å; N160-S283 PolarHBondContact ND2-OG 3.17Å
284Y80.6Confident91Very high223 Ų22364.4 Ų64.488%0.87534%0.341SS*.  trans-73146.6173.7-167-100.8000109.6
285A63.6Low90.6Very high65 Ų6567.5 Ų67.554%0.53736%0.358SS..  trans-102.60173.700000109.2V158V158-A285 HydrophobicContact CG2-CB 3.99Å

Retrieved 285 of 285 residues in 366.5 ms (Link to these results)