A0A060VM90_ONCMY Loading...

Rho GTPase activating protein 1

AlphaFold DB , UniProt , Accession A0A060VM90, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110506325, Length 435 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
1M29.2Very low26.9Very low240 Ų240146.6 Ų146.6100%1.18281%0.81SS**  0128.90-86.4-170.315400107.4
2S27.4Very low26.8Very low114 Ų114147.9 Ų147.980%0.79781%0.814SS**  trans71.1109.7171.6-52.30000115.9
3S24.5Very low26.9Very low98 Ų98148.5 Ų148.569%0.68581%0.814SS**  66.1134.777-92.20000110.9
4D28.4Very low27Very low127 Ų127143.1 Ų143.168%0.67981%0.81SS**  cis-170.31504.5-95-41.4000104.3
5L27.4Very low27.4Very low178 Ų178141.6 Ų141.693%0.93281%0.805SS**  trans-166.378.4144.2-101.1165.3000107.3
6L24.7Very low27.6Very low145 Ų145141.8 Ų141.876%0.75980%0.803SS**  trans-73.1139.4146.8-89.4161.1000107.7
7V30.8Very low27.7Very low124 Ų124142.7 Ų142.775%0.75281%0.805SS**  -168.6114.4120.9165.10000108.4
8D25.9Very low28Very low130 Ų130140.3 Ų140.370%0.69580%0.796SS**  trans54.9109.9140.7-55.4-17.9000121.4
9L25.1Very low28.4Very low187 Ų187140.3 Ų140.398%0.97980%0.802SS**  -146.987.6120-96.9159.4000107.4
10N24.7Very low28.6Very low124 Ų124137.4 Ų137.466%0.66379%0.791SS**  trans-102.9123.1162.7-164.877.8000106.9
11D27.4Very low29Very low146 Ų146136.9 Ų136.978%0.78179%0.785SS**  trans162.991.3141.8-83.7-6.9000108.3
12D26.7Very low29.1Very low162 Ų162130.2 Ų130.287%0.86677%0.769SS**  -175.987117.9-1482.3000109.1
13L27.9Very low29.3Very low155 Ų155131.7 Ų131.781%0.81277%0.767SS**  trans-11190.4169.4-79.9172.5000108.5V15L13-V15 PolarHBondContact O-N 2.73Å
14G27.2Very low29.6Very low74 Ų74134 Ų13476%0.76377%0.772SS**  trans-71110.8152.800000109.1
15V34.3Very low29.8Very low120 Ų120136.1 Ų136.173%0.72778%0.777SS**  trans-77.6131.6171172.40000108.9L13L13-V15 PolarHBondContact O-N 2.73Å
16D29.5Very low29.7Very low145 Ų145135 Ų13578%0.77577%0.772SS**  trans133.1100.8152.1-75.2-32.2000113.4
17D30.6Very low29.9Very low157 Ų157137.8 Ų137.884%0.8478%0.777SS**  trans-166.3122140.7-104.9-22.5000111.5
18P33Very low29.9Very low99 Ų99140 Ų14064%0.64378%0.784SS**  trans-81.9158.817087.2000112.3S20P18-S20 PolarHBondContact O-N 3.15Å
19P34.6Very low30.1Very low140 Ų140139 Ų13991%0.90979%0.788SS**SBendtrans-80.280.9-173.733.9-33.9000111
20S33.7Very low30.3Very low83 Ų83136.2 Ų136.258%0.5878%0.781SS**  trans-112-5.7173.663.40000115.2P18P18-S20 PolarHBondContact O-N 3.15Å
21N35.2Very low30.6Very low126 Ų126139.5 Ų139.567%0.67480%0.795SS**THydrogen-bonded Turntrans-99.711.9-170.5-76.9-7.4000116.4
22A31.8Very low30.8Very low101 Ų101135.8 Ų135.884%0.83579%0.791SS**THydrogen-bonded Turntrans-92.6-4.9177.300000114.6
23L31.3Very low31.1Very low145 Ų145136.1 Ų136.176%0.75979%0.792SS**SBendtrans-104.1-9.9-175.9-92.4151.8000114.8Q25L23-Q25 PolarHBondContact O-N 2.94Å
24D31.1Very low31.3Very low146 Ų146138.5 Ų138.578%0.78180%0.796SS**THydrogen-bonded Turntrans-90.29.8-178-79.8-18.8000114.5
25Q31.9Very low31.5Very low171 Ų171143.5 Ų143.580%0.79980%0.804SS**THydrogen-bonded Turntrans-1098.4-178.8-66.1-166.115.700115.9L23 K27L23-Q25 PolarHBondContact O-N 2.94Å; Q25-K27 VanDerWaalsContact C-N 3.29Å; Q25-K27 PolarHBondContact O-N 2.78Å
26L26.6Very low31.4Very low155 Ų155149 Ų14981%0.81281%0.812SS**  trans-79.678.2169.2-81.7162.4000110.8L28L26-L28 PolarHBondContact O-N 3.39Å
27K28.9Very low31.4Very low203 Ų203146.2 Ų146.288%0.88380%0.802SS**  trans-63.2113163.7-84.3180174.8176.10109.4Q25Q25-K27 VanDerWaalsContact C-N 3.29Å; Q25-K27 PolarHBondContact O-N 2.78Å
28L31.3Very low31.3Very low170 Ų170144.5 Ų144.589%0.8980%0.8SS**PPolyproline II helixtrans-83.5129161.9-71.6165.4000108.6L26L26-L28 PolarHBondContact O-N 3.39Å
29S28.9Very low31.3Very low111 Ų111148.1 Ų148.178%0.77681%0.814SS**PPolyproline II helixtrans-63146.3176.4-50.60000111.5M31S29-M31 PolarHBondContact O-N 3.04Å
30P29.6Very low31Very low128 Ų128148.6 Ų148.683%0.83181%0.809SS**PPolyproline II helixtrans-76.2124.1179.512.21.2000110.2
31M31.2Very low31Very low193 Ų193149.3 Ų149.395%0.95181%0.813SS**PPolyproline II helixtrans-78.1124.4160.3-93.3-169.1178.200108.3S29S29-M31 PolarHBondContact O-N 3.04Å
32G30.6Very low30.8Very low68 Ų68148.5 Ų148.570%0.70182%0.818SS**PPolyproline II helixtrans-66159.7-169.600000116K34G32-K34 PolarHBondContact O-N 2.96Å
33D35Very low30.8Very low168 Ų168151.2 Ų151.290%0.89882%0.815SS**  trans-49.7114.4177.8-61-44.9000112.5
34K31.7Very low30.9Very low205 Ų205147.3 Ų147.389%0.89180%0.8SS**  trans-110.898.4156.5-87.8-175.6176.3179.10108.4G32 W36G32-K34 PolarHBondContact O-N 2.96Å; K34-W36 PolarHBondContact O-N 3.29Å
35L30.5Very low31.2Very low179 Ų179149.7 Ų149.794%0.93780%0.803SS**  trans-59.9123.3167.3-152.979.3000109.1
36W33Very low31.6Very low235 Ų235145.4 Ų145.489%0.8979%0.793SS**  trans-115.2145.3167.3-169.4-102.5000108.3K34K34-W36 PolarHBondContact O-N 3.29Å
37P28.4Very low32.1Very low88 Ų88142.5 Ų142.557%0.57178%0.775SS**PPolyproline II helixtrans-72.4163.9-160.825.8-24.7000113.3
38P29.6Very low32.5Very low121 Ų121137 Ų13779%0.78676%0.758SS**PPolyproline II helixtrans-71.7146.7-174.129.7-31.4000111.5D40P38-D40 PolarHBondContact O-N 2.96Å
39D32Very low32.4Very low174 Ų174134.3 Ų134.393%0.9375%0.745SS**PPolyproline II helixtrans-55.9121173-89.7-30.9000110.4
40D29.8Very low33Very low151 Ų151134 Ų13481%0.80773%0.734SS**  trans-129.6131.4165.7-146-5.5000111.1P38P38-D40 PolarHBondContact O-N 2.96Å
41S33.6Very low33.1Very low97 Ų97131.3 Ų131.368%0.67872%0.718SS**  trans86.1117.2152.776.80000121.9
42S31Very low33Very low110 Ų110130.4 Ų130.477%0.76971%0.708SS**  84.592.4129.872.90000118.9S44S42-S44 PolarHBondContact O-N 3.09Å
43M31.5Very low33.1Very low158 Ų158138.3 Ų138.378%0.77872%0.717SS**  trans-60.9126.7161.4-66.8-928700110.8E47M43-E47 WeakPolarHBondContact CE-OE2 3.12Å
44S32.8Very low33.3Very low63 Ų63136.5 Ų136.544%0.44171%0.706SS.*  trans-82.2141.7175.173.10000110.5S42 S46 E47S42-S44 PolarHBondContact O-N 3.09Å; S44-S46 PolarHBondContact O-N 3.44Å; S44-S46 PolarHBondContact OG-OG 2.99Å; S44-E47 PolarHBondContact O-N 2.89Å; S44-E47 VanDerWaalsContact O-N 3.09Å
45K37Very low33.3Very low195 Ų195129.8 Ų129.885%0.84870%0.696SS**THydrogen-bonded Turntrans-59.2-11.3-173.8-80.2176.4174.2174.40115.2T48K45-T48 PolarHBondContact O-OG1 3.08Å
46S39.8Very low33.8Very low82 Ų82129.5 Ų129.557%0.57369%0.689SS**THydrogen-bonded Turntrans-79.9-18.5176.145.60000114.3S44S44-S46 PolarHBondContact O-N 3.44Å; S44-S46 PolarHBondContact OG-OG 2.99Å
47E38.3Very low34.2Very low94 Ų94120.3 Ų120.344%0.43967%0.668SS.*Hα-helixtrans-80.9-21.2176-72.8177134.600112.8M43 S44 D49 I50 S51M43-E47 WeakPolarHBondContact CE-OE2 3.12Å; S44-E47 PolarHBondContact O-N 2.89Å; S44-E47 VanDerWaalsContact O-N 3.09Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.06Å; E47-I50 PolarHBondContact O-N 2.76Å; E47-S51 PolarHBondContact O-N 3.12Å; E47-S51 VanDerWaalsContact O-N 3.08Å; E47-S51 PolarHBondContact O-OG 3.48Å
48T36.8Very low35.2Very low87 Ų87118.3 Ų118.353%0.53466%0.656SS.*Hα-helixtrans-67.8-28178.9-1.30000113.9K45 S51 K52K45-T48 PolarHBondContact O-OG1 3.08Å; T48-S51 WeakPolarHBondContact CA-OG 3.47Å; T48-S51 PolarHBondContact O-OG 2.93Å; T48-K52 PolarHBondContact O-N 3.08Å
49D30Very low36.5Very low113 Ų113121.2 Ų121.260%0.60466%0.659SS**Hα-helixtrans-86.3-21.7177.8-88.6-26.1000112.9E47E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.06Å
50I41.2Very low38.3Very low106 Ų106115.2 Ų115.254%0.54463%0.627SS.*Hα-helixtrans-79.6-38174.2-59.9175.4000110E47 K52 R53 L54E47-I50 PolarHBondContact O-N 2.76Å; I50-K52 PolarHBondContact O-N 2.78Å; I50-R53 PolarHBondContact O-N 3.34Å; I50-L54 HydrophobicContact CG2-CD1 3.61Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.29Å; I50-L54 VanDerWaalsContact O-N 3.1Å
51S31.2Very low40.3Very low71 Ų71111.7 Ų111.750%0.49761%0.614SS.*Hα-helixtrans-66.2-23.2173.334.60000113.3E47 T48E47-S51 PolarHBondContact O-N 3.12Å; E47-S51 VanDerWaalsContact O-N 3.08Å; E47-S51 PolarHBondContact O-OG 3.48Å; T48-S51 WeakPolarHBondContact CA-OG 3.47Å; T48-S51 PolarHBondContact O-OG 2.93Å
52K29.7Very low42.3Very low173 Ų173116.8 Ų116.875%0.75262%0.618SS**Hα-helixtrans-75.8-22.8169.4-104.6178.5178.5175.90114.6T48 I50T48-K52 PolarHBondContact O-N 3.08Å; I50-K52 PolarHBondContact O-N 2.78Å
53R33.3Very low44.5Very low235 Ų235117.7 Ų117.789%0.88762%0.615SS**Hα-helixtrans-90.3-14.4172.9-74.3-170.9-178.1-168.11.6113.6I50I50-R53 PolarHBondContact O-N 3.34Å
54L39.4Very low46.9Very low129 Ų129113.4 Ų113.468%0.67559%0.592SS**  trans-99.115.5-177.9-71.8168.2000113.9I50 E56I50-L54 HydrophobicContact CG2-CD1 3.61Å; I50-L54 HydrophobicContact CG2-CG 4.33Å; I50-L54 WeakPolarHBondContact O-CG 3.42Å; I50-L54 PolarHBondContact O-N 3.29Å; I50-L54 VanDerWaalsContact O-N 3.1Å; L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.36Å; L54-E56 VanDerWaalsContact O-N 3.14Å
55G31.7Very low49.4Very low65 Ų65114.8 Ų114.867%0.6760%0.6SS**  trans-81.831.5-172.800000117.1
56E39Very low51.8Low172 Ų172108 Ų10880%0.80457%0.569SS**  trans-123.455.9173.6-70.8-176.2169.900110.6L54 S58L54-E56 VanDerWaalsContact C-N 3.3Å; L54-E56 PolarHBondContact O-N 3.36Å; L54-E56 VanDerWaalsContact O-N 3.14Å; E56-S58 PolarHBondContact O-N 3.35Å
57G41.8Very low54Low43 Ų43107.4 Ų107.444%0.44356%0.555SS.*  trans-80.5106.9172.300000111.5
58S49.5Very low56.2Low46 Ų46105.3 Ų105.332%0.32255%0.547SS..  trans63.6113.8176.975.70000115.8E56 L60E56-S58 PolarHBondContact O-N 3.35Å; S58-L60 PolarHBondContact O-N 2.92Å
59H56.7Low58.6Low182 Ų182101.3 Ų101.384%0.84352%0.522SS*.SBendtrans-67.69.3173.5-89.9-77.3000114.6
60L69.9Low61.2Low48 Ų4896.1 Ų96.125%0.25150%0.495SS..  trans-99.8127.3-174.3-66.6177.9000110.9S58 H64 A70 Y109S58-L60 PolarHBondContact O-N 2.92Å; L60-H64 HydrophobicContact CB-CB 4.11Å; L60-H64 WeakPolarHBondContact CD1-ND1 3.29Å; L60-H64 HydrophobicContact CD2-CB 4.46Å; L60-A70 HydrophobicContact CD1-CB 3.55Å; L60-Y109 HydrophobicContact CD1-CE2 3.99Å
61S72.5Confident63.3Low77 Ų7797.6 Ų97.654%0.53849%0.494SS..  trans-62.3153.3172176.70000110.9D63 H64S61-D63 WeakPolarHBondContact CB-OD1 3.5Å; S61-D63 PolarHBondContact O-N 2.92Å; S61-D63 VanDerWaalsContact O-N 3.14Å; S61-D63 PolarHBondContact OG-OD1 3.28Å; S61-H64 WeakPolarHBondContact O-CB 3.48Å; S61-H64 PolarHBondContact O-N 3.15Å
62W74.9Confident65.9Low204 Ų20496.3 Ų96.377%0.77348%0.48SS*.THydrogen-bonded Turntrans-62.7-21.2-175-168.582.6000113.4H64 Y67W62-H64 VanDerWaalsContact C-N 3.33Å; W62-Y67 AromaticContact CD1-CD1 3.76Å; W62-Y67 AromaticContact CD1-CE1 3.25Å; W62-Y67 AromaticContact CD1-CZ 3.43Å; W62-Y67 VanDerWaalsContact CD1-CZ 3.43Å; W62-Y67 HydrophobicContact CG-CD1 4.43Å; W62-Y67 HydrophobicContact CG-CE1 4.26Å; W62-Y67 AromaticContact NE1-CE1 3.59Å
63D77.3Confident68.7Low129 Ų12991 Ų9169%0.6946%0.457SS*.THydrogen-bonded Turntrans-83-4.5174.865.5-27.6000113.8S61S61-D63 WeakPolarHBondContact CB-OD1 3.5Å; S61-D63 PolarHBondContact O-N 2.92Å; S61-D63 VanDerWaalsContact O-N 3.14Å; S61-D63 PolarHBondContact OG-OD1 3.28Å
64H82.6Confident71.3Confident67 Ų6780.1 Ų80.131%0.3142%0.417SS..SBendtrans-68.5136-179-169.7-100.4000111.4L60 S61 W62 Y66 Y67L60-H64 HydrophobicContact CB-CB 4.11Å; L60-H64 WeakPolarHBondContact CD1-ND1 3.29Å; L60-H64 HydrophobicContact CD2-CB 4.46Å; S61-H64 WeakPolarHBondContact O-CB 3.48Å; S61-H64 PolarHBondContact O-N 3.15Å; W62-H64 VanDerWaalsContact C-N 3.33Å; H64-Y66 AromaticContact CE1-CD2 3.63Å; H64-Y66 PolarHBondContact ND1-N 3.43Å; H64-Y66 PolarHBondContact O-N 2.73Å; H64-Y67 WeakPolarHBondContact O-CB 2.99Å; H64-Y67 PolarHBondContact O-N 3.45Å
65P85.6Confident73.7Confident92 Ų9274.3 Ų74.360%0.59739%0.387SS*.THydrogen-bonded Turntrans-57.1-19-175.7-28.235000116.3
66Y87.3Confident76.4Confident53 Ų5373 Ų7321%0.20836%0.363CS..THydrogen-bonded Turntrans-11514.8-179.8-55.5-66.3000113.7H64 D68 I69 A70 M108 Y109 A112H64-Y66 AromaticContact CE1-CD2 3.63Å; H64-Y66 PolarHBondContact ND1-N 3.43Å; H64-Y66 PolarHBondContact O-N 2.73Å; Y66-D68 VanDerWaalsContact C-N 3.26Å; Y66-D68 PolarHBondContact O-N 3.25Å; Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.15Å; Y66-A70 WeakPolarHBondContact O-CB 3.43Å; Y66-A70 PolarHBondContact O-N 2.81Å; Y66-M108 HydrophobicContact CE1-CB 3.76Å; Y66-Y109 HydrophobicContact CD1-CD2 4.43Å; Y66-Y109 HydrophobicContact CD2-CD2 4.04Å; Y66-Y109 AromaticContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CG 4.27Å; Y66-A112 HydrophobicContact CE2-CB 4.29Å
67Y85.1Confident78.7Confident69 Ų6967.5 Ų67.527%0.27134%0.341SS..Hα-helixtrans-56.6-41.4-179.3175.1-93.8000112.3W62 H64 I69 A70 R71W62-Y67 AromaticContact CD1-CD1 3.76Å; W62-Y67 AromaticContact CD1-CE1 3.25Å; W62-Y67 AromaticContact CD1-CZ 3.43Å; W62-Y67 VanDerWaalsContact CD1-CZ 3.43Å; W62-Y67 HydrophobicContact CG-CD1 4.43Å; W62-Y67 HydrophobicContact CG-CE1 4.26Å; W62-Y67 AromaticContact NE1-CE1 3.59Å; H64-Y67 WeakPolarHBondContact O-CB 2.99Å; H64-Y67 PolarHBondContact O-N 3.45Å; Y67-I69 PolarHBondContact O-N 3.02Å; Y67-A70 PolarHBondContact O-N 3.32Å; Y67-R71 WeakPolarHBondContact O-CB 3.43Å; Y67-R71 WeakPolarHBondContact O-CG 3.08Å; Y67-R71 PolarHBondContact O-N 3.15Å
68D84.1Confident80.6Confident51 Ų5165.9 Ų65.927%0.27332%0.324SS..Hα-helixtrans-56.7-34.7177.156.4-15.2000113.2Y66 R71 H72 K105Y66-D68 VanDerWaalsContact C-N 3.26Å; Y66-D68 PolarHBondContact O-N 3.25Å; D68-R71 WeakPolarHBondContact O-CG 3.35Å; D68-R71 PolarHBondContact O-NE 2.75Å; D68-H72 PolarHBondContact O-CD2 2.78Å; D68-H72 PolarHBondContact O-NE2 3.17Å; D68-K105 WeakPolarHBondContact OD2-CD 3.44Å; D68-K105 IonicContact OD2-NZ 3.82Å; D68-K105 PolarHBondContact OD2-NZ 3.28Å
69I87.9Confident82.1Confident3 Ų364.9 Ų64.92%0.01532%0.321CS..Hα-helixtrans-83.5-47.8174.3-53.8-56.8000111.3Y66 Y67 R71 H72 I74 L101 K105 L106 Y109Y66-I69 PolarHBondContact O-N 3.08Å; Y66-I69 VanDerWaalsContact O-N 3.15Å; Y67-I69 PolarHBondContact O-N 3.02Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.23Å; I69-H72 WeakPolarHBondContact O-CB 3.5Å; I69-H72 PolarHBondContact O-N 3.27Å; I69-H72 VanDerWaalsContact O-N 3.13Å; I69-I74 HydrophobicContact CG2-CD1 4.49Å; I69-L101 HydrophobicContact CD1-CD1 3.67Å; I69-K105 HydrophobicContact CD1-CB 4.15Å; I69-K105 HydrophobicContact CG1-CB 4.05Å; I69-L106 HydrophobicContact CD1-CB 4.41Å; I69-L106 HydrophobicContact CG2-CB 4.46Å; I69-L106 HydrophobicContact CG2-CD1 3.62Å; I69-Y109 HydrophobicContact CB-CD1 4.34Å; I69-Y109 HydrophobicContact CB-CG 4.4Å; I69-Y109 HydrophobicContact CG2-CD1 3.6Å; I69-Y109 HydrophobicContact CG2-CE1 4.29Å; I69-Y109 HydrophobicContact CG2-CG 4.05Å
70A85.6Confident83.4Confident4 Ų458.8 Ų58.83%0.03329%0.294CS..Hα-helixtrans-62.8-34.7-172.200000113.1L60 Y66 Y67 H72 Q73 Y109L60-A70 HydrophobicContact CD1-CB 3.55Å; Y66-A70 WeakPolarHBondContact O-CB 3.43Å; Y66-A70 PolarHBondContact O-N 2.81Å; Y67-A70 PolarHBondContact O-N 3.32Å; A70-H72 PolarHBondContact O-N 3.27Å; A70-H72 VanDerWaalsContact O-N 3.13Å; A70-Q73 PolarHBondContact O-N 3.4Å; A70-Y109 HydrophobicContact CB-CE1 4.49Å; A70-Y109 HydrophobicContact CB-CE2 4.1Å
71R85.1Confident83.9Confident137 Ų13756.9 Ų56.952%0.51728%0.284SS..THydrogen-bonded Turntrans-58.4-25176.971.2-176.9-174.4146.95.5113.6Y67 D68 I69 Q73Y67-R71 WeakPolarHBondContact O-CB 3.43Å; Y67-R71 WeakPolarHBondContact O-CG 3.08Å; Y67-R71 PolarHBondContact O-N 3.15Å; D68-R71 WeakPolarHBondContact O-CG 3.35Å; D68-R71 PolarHBondContact O-NE 2.75Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.23Å; R71-Q73 VanDerWaalsContact C-N 3.28Å
72H85.9Confident84.3Confident43 Ų4356.7 Ų56.720%0.19928%0.277CS..THydrogen-bonded Turntrans-79.5-11.2177.3-67.4-73.7000112.6D68 I69 A70 I74 R94D68-H72 PolarHBondContact O-CD2 2.78Å; D68-H72 PolarHBondContact O-NE2 3.17Å; I69-H72 WeakPolarHBondContact O-CB 3.5Å; I69-H72 PolarHBondContact O-N 3.27Å; I69-H72 VanDerWaalsContact O-N 3.13Å; A70-H72 PolarHBondContact O-N 3.27Å; A70-H72 VanDerWaalsContact O-N 3.13Å; H72-I74 HydrophobicContact CB-CD1 3.97Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.22Å; H72-R94 WeakPolarHBondContact O-CB 3.25Å; H72-R94 WeakPolarHBondContact O-CD 3.47Å
73Q87Confident84.6Confident61 Ų6154.4 Ų54.429%0.28527%0.273SS..THydrogen-bonded Turntrans53.837.6-179.6-55.3178.3-26.100113.2A70 R71 V75 E76 R94A70-Q73 PolarHBondContact O-N 3.4Å; R71-Q73 VanDerWaalsContact C-N 3.28Å; Q73-V75 PolarHBondContact O-N 3.46Å; Q73-E76 HydrophobicContact CB-CG 4.5Å; Q73-E76 WeakPolarHBondContact CB-OE1 3.44Å; Q73-R94 WeakPolarHBondContact O-CD 3.3Å; Q73-R94 PolarHBondContact O-NH1 3.33Å; Q73-R94 VanDerWaalsContact OE1-CZ 3.3Å
74I88.7Confident84.9Confident7 Ų750.9 Ų50.94%0.03627%0.267CS..  trans-65-34.9176.4-61.5166.3000109.9I69 H72 F90 N91 M95 L101 L106I69-I74 HydrophobicContact CG2-CD1 4.49Å; H72-I74 HydrophobicContact CB-CD1 3.97Å; H72-I74 HydrophobicContact CB-CG1 3.81Å; H72-I74 PolarHBondContact O-N 3.22Å; I74-F90 CarbonylContact O-C 3.55Å; I74-F90 WeakPolarHBondContact O-CA 3.43Å; I74-N91 PolarHBondContact O-N 2.88Å; I74-M95 HydrophobicContact CD1-CG 4.11Å; I74-M95 HydrophobicContact CG1-CG 4.16Å; I74-M95 HydrophobicContact CG2-CG 3.95Å; I74-M95 HydrophobicContact CG2-SD 4.41Å; I74-L101 HydrophobicContact CD1-CD1 4.03Å; I74-L101 HydrophobicContact CD1-CD2 4.27Å; I74-L106 HydrophobicContact CD1-CD1 4.08Å; I74-L106 HydrophobicContact CG2-CD1 4.2Å
75V90.1Very high85.2Confident8 Ų850 Ų505%0.04826%0.262CS..EExtended strand (participates in β ladder)trans-127.7134.6176.7178.20000111.8Q73 I88 V89 F90 Y109 L110 T113Q73-V75 PolarHBondContact O-N 3.46Å; V75-I88 HydrophobicContact CG1-CG2 3.86Å; V75-V89 VanDerWaalsContact CA-O 3.27Å; V75-V89 WeakPolarHBondContact CA-O 3.42Å; V75-F90 HydrophobicContact CG1-CZ 4.44Å; V75-F90 HydrophobicContact CG2-CD1 3.38Å; V75-F90 HydrophobicContact CG2-CE1 3.52Å; V75-F90 HydrophobicContact CG2-CG 3.96Å; V75-F90 HydrophobicContact CG2-CZ 4.12Å; V75-Y109 HydrophobicContact CB-CE1 4.44Å; V75-L110 HydrophobicContact CB-CD2 4.12Å; V75-L110 HydrophobicContact CG2-CD2 3.1Å; V75-T113 HydrophobicContact CG1-CG2 3.97Å
76E88.3Confident85.4Confident37 Ų3749.2 Ų49.217%0.17325%0.249CC..EExtended strand (participates in β ladder)trans-138.2149-178.7-65.8178.2160.100110.4Q73 V89 R94Q73-E76 HydrophobicContact CB-CG 4.5Å; Q73-E76 WeakPolarHBondContact CB-OE1 3.44Å; E76-V89 PolarHBondContact N-O 3.39Å; E76-V89 PolarHBondContact O-N 3.2Å; E76-R94 IonicContact OE1-CZ 3.1Å; E76-R94 IonicContact OE1-NH1 2.69Å; E76-R94 PolarHBondContact OE1-NH1 3.06Å; E76-R94 IonicContact OE1-NH2 3.03Å; E76-R94 IonicContact OE2-NH1 3.32Å; E76-R94 PolarHBondContact OE2-NH1 3.41Å
77V87.1Confident85.5Confident56 Ų5646.7 Ų46.734%0.33924%0.239SC..EExtended strand (participates in β ladder)trans-102.2104.1171.6-1770000107G79 K86 V87 T113 Y117V77-G79 PolarHBondContact O-N 2.91Å; V77-K86 HydrophobicContact CG1-CD 4.24Å; V77-V87 CarbonylContact C-O 3.49Å; V77-V87 WeakPolarHBondContact CA-O 3.37Å; V77-T113 HydrophobicContact CG2-CG2 4.32Å; V77-Y117 HydrophobicContact CG1-CE1 4.3Å; V77-Y117 HydrophobicContact CG1-CE2 4.38Å; V77-Y117 HydrophobicContact CG2-CD2 4.49Å; V77-Y117 HydrophobicContact CG2-CE2 3.63Å
78A81.6Confident85.9Confident10 Ų1043.4 Ų43.48%0.08323%0.226CC..EExtended strand (participates in β ladder)trans-101.246-165.100000112.8V87 V89 L206A78-V87 PolarHBondContact N-O 3.42Å; A78-V89 HydrophobicContact CB-CG2 3.53Å; A78-L206 HydrophobicContact CB-CD2 3.46Å; A78-L206 VanDerWaalsContact CB-CD2 3.46Å
79G81.3Confident86.3Confident25 Ų2541.1 Ų41.126%0.25821%0.213SC..EExtended strand (participates in β ladder)trans79.7-140.6179.100000113.6V77 K86 V87V77-G79 PolarHBondContact O-N 2.91Å; G79-K86 WeakPolarHBondContact O-CA 3.37Å; G79-V87 PolarHBondContact O-N 3.39Å
80D82.9Confident86.5Confident53 Ų5342.6 Ų42.628%0.28322%0.22SC..EExtended strand (participates in β ladder)trans-128.6143.4-172.1-61.4-57.2000110.8R85 K86 Q205D80-R85 CarbonylContact C-O 3.59Å; D80-R85 VanDerWaalsContact CA-O 3.27Å; D80-R85 WeakPolarHBondContact CA-O 3.36Å; D80-K86 WeakPolarHBondContact OD1-CD 3.39Å; D80-K86 WeakPolarHBondContact OD1-CE 3.42Å; D80-K86 IonicContact OD1-NZ 3.34Å; D80-K86 PolarHBondContact OD1-NZ 2.94Å; D80-K86 IonicContact OD2-NZ 2.85Å; D80-K86 PolarHBondContact OD2-NZ 2.91Å; D80-Q205 PolarHBondContact O-OE1 3.39Å; D80-Q205 VanDerWaalsContact O-OE1 3.1Å
81D81.9Confident86.8Confident8 Ų842.5 Ų42.54%0.04322%0.219CC..  trans-76.8-178176.668.919.8000112.5F83 G84 R85 V87 T123 V201D81-F83 PolarHBondContact O-N 2.88Å; D81-F83 WeakPolarHBondContact OD1-CA 3.43Å; D81-F83 WeakPolarHBondContact OD1-CB 3.44Å; D81-F83 PolarHBondContact OD1-N 3.41Å; D81-G84 PolarHBondContact O-N 2.81Å; D81-G84 PolarHBondContact OD1-N 3.33Å; D81-R85 PolarHBondContact N-O 2.92Å; D81-R85 WeakPolarHBondContact OD1-CB 3.32Å; D81-R85 PolarHBondContact OD1-N 3.48Å; D81-R85 IonicContact OD1-NE 2.84Å; D81-R85 PolarHBondContact OD1-NE 2.94Å; D81-R85 IonicContact OD1-NH2 2.69Å; D81-R85 IonicContact OD2-CZ 3.55Å; D81-R85 IonicContact OD2-NE 3.68Å; D81-R85 PolarHBondContact OD2-NE 2.88Å; D81-R85 IonicContact OD2-NH2 3.51Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; D81-V87 HydrophobicContact CB-CG2 3.67Å; D81-T123 PolarHBondContact OD2-OG1 3.36Å; D81-V201 HydrophobicContact CB-CG2 4.42Å
82N79.4Confident87Confident73 Ų7336 Ų3639%0.3920%0.195SC..THydrogen-bonded Turntrans-59.1-13.3-178.9-71.7-19.6000114.4V200 K202N82-V200 PolarHBondContact ND2-O 3.15Å; N82-K202 WeakPolarHBondContact OD1-CG 3.46Å
83F82.9Confident87Confident156 Ų15634.6 Ų34.668%0.68419%0.189SC*.THydrogen-bonded Turntrans-107.59.3177.1-58.7-84.4000112.9D81 R85D81-F83 PolarHBondContact O-N 2.88Å; D81-F83 WeakPolarHBondContact OD1-CA 3.43Å; D81-F83 WeakPolarHBondContact OD1-CB 3.44Å; D81-F83 PolarHBondContact OD1-N 3.41Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 HydrophobicContact CB-CG 4.22Å
84G82.9Confident87Confident55 Ų5534 Ų3457%0.56719%0.185SC*.SBendtrans7618-179.200000114.1D81D81-G84 PolarHBondContact O-N 2.81Å; D81-G84 PolarHBondContact OD1-N 3.33Å
85R88.8Confident86.9Confident50 Ų5034.7 Ų34.719%0.18919%0.188CC..PPolyproline II helixtrans-92.8138.5179.9-53.9173.5-63.5-160.16.1109.7D80 D81 F83 V87 D121 K158D80-R85 CarbonylContact C-O 3.59Å; D80-R85 VanDerWaalsContact CA-O 3.27Å; D80-R85 WeakPolarHBondContact CA-O 3.36Å; D81-R85 PolarHBondContact N-O 2.92Å; D81-R85 WeakPolarHBondContact OD1-CB 3.32Å; D81-R85 PolarHBondContact OD1-N 3.48Å; D81-R85 IonicContact OD1-NE 2.84Å; D81-R85 PolarHBondContact OD1-NE 2.94Å; D81-R85 IonicContact OD1-NH2 2.69Å; D81-R85 IonicContact OD2-CZ 3.55Å; D81-R85 IonicContact OD2-NE 3.68Å; D81-R85 PolarHBondContact OD2-NE 2.88Å; D81-R85 IonicContact OD2-NH2 3.51Å; D81-R85 PolarHBondContact OD2-NH2 3.16Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 HydrophobicContact CB-CG 4.22Å; R85-V87 PolarHBondContact O-N 3.11Å; R85-D121 WeakPolarHBondContact CB-O 3.34Å; R85-D121 HydrophobicContact CG-CB 4.31Å; R85-K158 VanDerWaalsContact NH1-CB 3.27Å
86K88.9Confident86.6Confident75 Ų7534.9 Ų34.933%0.32619%0.189SC..EExtended strand (participates in β ladder)trans-57.7134.2179.6-72.1-75.4168.4-135.50111.3V77 G79 D80 Y117 Y122 T123V77-K86 HydrophobicContact CG1-CD 4.24Å; G79-K86 WeakPolarHBondContact O-CA 3.37Å; D80-K86 WeakPolarHBondContact OD1-CD 3.39Å; D80-K86 WeakPolarHBondContact OD1-CE 3.42Å; D80-K86 IonicContact OD1-NZ 3.34Å; D80-K86 PolarHBondContact OD1-NZ 2.94Å; D80-K86 IonicContact OD2-NZ 2.85Å; D80-K86 PolarHBondContact OD2-NZ 2.91Å; K86-Y117 HydrophobicContact CB-CD1 4.08Å; K86-Y117 HydrophobicContact CD-CD1 4.3Å; K86-Y117 HydrophobicContact CD-CE1 4.06Å; K86-Y117 HydrophobicContact CG-CD1 3.78Å; K86-Y117 HydrophobicContact CG-CE1 4.06Å; K86-Y122 WeakPolarHBondContact O-CA 3.44Å; K86-Y122 WeakPolarHBondContact O-CB 3.43Å; K86-T123 PolarHBondContact O-N 3.33Å
87V90.8Very high86.4Confident0 Ų034.8 Ų34.80%019%0.192CC..EExtended strand (participates in β ladder)trans-103.4121.4177.1-179.80000109.2V77 A78 G79 D81 R85 V89 T123 I125 V201 L206V77-V87 CarbonylContact C-O 3.49Å; V77-V87 WeakPolarHBondContact CA-O 3.37Å; A78-V87 PolarHBondContact N-O 3.42Å; G79-V87 PolarHBondContact O-N 3.39Å; D81-V87 HydrophobicContact CB-CG2 3.67Å; R85-V87 PolarHBondContact O-N 3.11Å; V87-V89 HydrophobicContact CG1-CG2 4.1Å; V87-T123 WeakPolarHBondContact CA-O 3.35Å; V87-I125 HydrophobicContact CG1-CD1 3.47Å; V87-I125 VanDerWaalsContact CG1-CD1 3.47Å; V87-I125 HydrophobicContact CG1-CG1 3.93Å; V87-V201 HydrophobicContact CG2-CG1 4.2Å; V87-L206 HydrophobicContact CG1-CD2 4.04Å
88I92.1Very high86Confident0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-112.3121.2177.4-51.5174000108V75 F90 L114 Y117 Y122 T123 L124 I125V75-I88 HydrophobicContact CG1-CG2 3.86Å; I88-F90 HydrophobicContact CG2-CD2 4.36Å; I88-F90 HydrophobicContact CG2-CE2 3.73Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; I88-L114 HydrophobicContact CD1-CD2 3.54Å; I88-Y117 HydrophobicContact CD1-CD2 3.89Å; I88-Y117 HydrophobicContact CD1-CG 4.18Å; I88-Y122 HydrophobicContact CD1-CD2 3.86Å; I88-Y122 HydrophobicContact CD1-CE2 4.15Å; I88-Y122 HydrophobicContact CG1-CD2 4.49Å; I88-T123 PolarHBondContact N-O 3.41Å; I88-L124 HydrophobicContact CB-CD2 3.68Å; I88-L124 HydrophobicContact CD1-CD2 4.43Å; I88-L124 HydrophobicContact CG1-CD2 4.48Å; I88-L124 HydrophobicContact CG2-CD2 4.22Å; I88-L124 WeakPolarHBondContact O-CA 3.19Å; I88-I125 PolarHBondContact O-N 3.02Å
89V92.2Very high85.9Confident2 Ų242.5 Ų42.51%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-105135.5-173.5-179.10000109.7V75 E76 A78 V87 I125 F127 L206V75-V89 VanDerWaalsContact CA-O 3.27Å; V75-V89 WeakPolarHBondContact CA-O 3.42Å; E76-V89 PolarHBondContact N-O 3.39Å; E76-V89 PolarHBondContact O-N 3.2Å; A78-V89 HydrophobicContact CB-CG2 3.53Å; V87-V89 HydrophobicContact CG1-CG2 4.1Å; V89-I125 CarbonylContact C-O 3.52Å; V89-I125 WeakPolarHBondContact CA-O 3.5Å; V89-I125 HydrophobicContact CG2-CB 4.34Å; V89-I125 HydrophobicContact CG2-CD1 4.47Å; V89-F127 HydrophobicContact CG1-CD2 3.54Å; V89-F127 HydrophobicContact CG1-CE2 3.51Å; V89-L206 HydrophobicContact CG2-CD2 3.55Å
90F92.9Very high85.9Confident35 Ų3546.7 Ų46.715%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-118.4117.9173.9-71.7-106.2000109.1I74 V75 I88 L110 L114 L124 I125 Y126 F127I74-F90 CarbonylContact O-C 3.55Å; I74-F90 WeakPolarHBondContact O-CA 3.43Å; V75-F90 HydrophobicContact CG1-CZ 4.44Å; V75-F90 HydrophobicContact CG2-CD1 3.38Å; V75-F90 HydrophobicContact CG2-CE1 3.52Å; V75-F90 HydrophobicContact CG2-CG 3.96Å; V75-F90 HydrophobicContact CG2-CZ 4.12Å; I88-F90 HydrophobicContact CG2-CD2 4.36Å; I88-F90 HydrophobicContact CG2-CE2 3.73Å; I88-F90 HydrophobicContact CG2-CZ 4.46Å; F90-L110 HydrophobicContact CD1-CD2 3.99Å; F90-L110 HydrophobicContact CE1-CD1 3.87Å; F90-L110 HydrophobicContact CE1-CD2 3.27Å; F90-L110 HydrophobicContact CE1-CG 4.06Å; F90-L110 HydrophobicContact CZ-CD2 4.05Å; F90-L114 HydrophobicContact CZ-CD1 4.47Å; F90-L124 HydrophobicContact CD2-CD2 4.48Å; F90-L124 HydrophobicContact CE2-CD2 3.83Å; F90-I125 PolarHBondContact N-O 3.15Å; F90-Y126 HydrophobicContact CB-CD2 3.79Å; F90-Y126 WeakPolarHBondContact O-CA 3.46Å; F90-F127 PolarHBondContact O-N 3.42Å
91N91.6Very high86Confident1 Ų144.6 Ų44.61%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-105.5100.3-175.5-73.1-62.6000111.2I74 C93 R94 F127 P209I74-N91 PolarHBondContact O-N 2.88Å; N91-C93 VanDerWaalsContact C-N 3.32Å; N91-C93 PolarHBondContact O-N 3.45Å; N91-R94 HydrophobicContact CB-CB 4.28Å; N91-R94 HydrophobicContact CB-CG 4.15Å; N91-R94 PolarHBondContact ND2-NH1 2.99Å; N91-R94 PolarHBondContact O-N 2.94Å; N91-F127 VanDerWaalsContact OD1-CD2 3.23Å; N91-F127 WeakPolarHBondContact OD1-CD2 3.48Å; N91-P209 HydrophobicContact CB-CG 4.46Å; N91-P209 WeakPolarHBondContact OD1-CD 3.46Å; N91-P209 WeakPolarHBondContact OD1-CG 3.38Å
92A88.9Confident86.3Confident2 Ų247.6 Ų47.62%0.01724%0.24CC..G310 helixtrans-68.4-31.4-179.300000113R94 M95 Y126 F127 L131A92-R94 PolarHBondContact O-N 3.11Å; A92-R94 VanDerWaalsContact O-N 3.09Å; A92-M95 PolarHBondContact O-N 3.08Å; A92-Y126 HydrophobicContact CB-CE2 3.84Å; A92-F127 WeakPolarHBondContact CB-O 3.3Å; A92-F127 PolarHBondContact N-O 3.12Å; A92-L131 HydrophobicContact CB-CD1 4.48Å; A92-L131 HydrophobicContact CB-CD2 3.96Å; A92-L131 HydrophobicContact CB-CG 3.81Å
93C86.2Confident86.6Confident12 Ų1245.6 Ų45.68%0.08123%0.228CC..G310 helixtrans-63.3-13.9177.462.50000114.7N91 N129N91-C93 VanDerWaalsContact C-N 3.32Å; N91-C93 PolarHBondContact O-N 3.45Å; C93-N129 WeakPolarHBondContact CA-O 3.36Å; C93-N129 VanDerWaalsContact CB-O 3.26Å; C93-N129 WeakPolarHBondContact CB-O 3.33Å; C93-N129 PolarHBondContact N-O 3.31Å; C93-N129 VanDerWaalsContact N-O 3.15Å
94R87.1Confident86.8Confident50 Ų5044.1 Ų44.119%0.18922%0.223CC..G310 helixtrans-100.3-0.1178.6-68.1-177.9174.2165.9-5.2113.1H72 Q73 E76 N91 A92 P96H72-R94 WeakPolarHBondContact O-CB 3.25Å; H72-R94 WeakPolarHBondContact O-CD 3.47Å; Q73-R94 WeakPolarHBondContact O-CD 3.3Å; Q73-R94 PolarHBondContact O-NH1 3.33Å; Q73-R94 VanDerWaalsContact OE1-CZ 3.3Å; E76-R94 IonicContact OE1-CZ 3.1Å; E76-R94 IonicContact OE1-NH1 2.69Å; E76-R94 PolarHBondContact OE1-NH1 3.06Å; E76-R94 IonicContact OE1-NH2 3.03Å; E76-R94 IonicContact OE2-NH1 3.32Å; E76-R94 PolarHBondContact OE2-NH1 3.41Å; N91-R94 HydrophobicContact CB-CB 4.28Å; N91-R94 HydrophobicContact CB-CG 4.15Å; N91-R94 PolarHBondContact ND2-NH1 2.99Å; N91-R94 PolarHBondContact O-N 2.94Å; A92-R94 PolarHBondContact O-N 3.11Å; A92-R94 VanDerWaalsContact O-N 3.09Å; R94-P96 WeakPolarHBondContact O-CD 3.4Å
95M86.6Confident87.1Confident20 Ų2045.1 Ų45.110%0.09921%0.212CC..PPolyproline II helixtrans-74.3121173.7-68.9-149.4-61.100110.4I74 A92 L101 L106 L131 N135 P137I74-M95 HydrophobicContact CD1-CG 4.11Å; I74-M95 HydrophobicContact CG1-CG 4.16Å; I74-M95 HydrophobicContact CG2-CG 3.95Å; I74-M95 HydrophobicContact CG2-SD 4.41Å; A92-M95 PolarHBondContact O-N 3.08Å; M95-L101 HydrophobicContact SD-CD2 4.3Å; M95-L106 HydrophobicContact SD-CD2 4.09Å; M95-L131 HydrophobicContact CE-CD2 3.48Å; M95-L131 VanDerWaalsContact CE-CD2 3.48Å; M95-N135 HydrophobicContact CB-CB 4.49Å; M95-N135 PolarHBondContact O-ND2 3.36Å; M95-P137 HydrophobicContact CE-CG 3.82Å
96P85Confident87.1Confident13 Ų1342.9 Ų42.98%0.08420%0.203CC..PPolyproline II helixtrans-72.9169.9175.129.6-30.9000111R94 E100 L101 N135R94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-E100 HydrophobicContact CB-CB 4.22Å; P96-L101 HydrophobicContact CG-CB 4.03Å; P96-L101 HydrophobicContact CG-CD1 3.94Å; P96-L101 HydrophobicContact CG-CD2 4.43Å; P96-L101 HydrophobicContact CG-CG 4.35Å; P96-N135 WeakPolarHBondContact O-CB 3.39Å
97P83.5Confident87.2Confident34 Ų3440 Ų4022%0.22119%0.191CC..PPolyproline II helixtrans-55.2154.5177.1-26.436000113.6H99 E100 L101 E134P97-H99 WeakPolarHBondContact CB-CE1 3.22Å; P97-H99 PolarHBondContact O-N 2.58Å; P97-E100 PolarHBondContact O-N 3.33Å; P97-L101 PolarHBondContact O-N 3.28Å; P97-E134 CarbonylContact C-O 3.29Å; P97-E134 VanDerWaalsContact CA-O 3.26Å; P97-E134 WeakPolarHBondContact CA-O 3.45Å
98H78.6Confident87.1Confident70 Ų7043 Ų4332%0.32421%0.206SC..THydrogen-bonded Turntrans-52.7-34.4-175.9-76.2-67000115.4E100 H103 E134 N135 K136H98-E100 VanDerWaalsContact C-N 3.26Å; H98-E100 PolarHBondContact O-N 2.98Å; H98-H103 AromaticContact CE1-CE1 3.87Å; H98-H103 AromaticContact CE1-NE2 3.69Å; H98-H103 AromaticContact ND1-CD2 3.83Å; H98-H103 AromaticContact ND1-CE1 3.65Å; H98-H103 AromaticContact ND1-NE2 3.01Å; H98-H103 PolarHBondContact ND1-NE2 2.93Å; H98-E134 VanDerWaalsContact CD2-C 3.42Å; H98-E134 PolarHBondContact CD2-O 3.37Å; H98-E134 PolarHBondContact N-O 2.96Å; H98-N135 VanDerWaalsContact NE2-C 3.29Å; H98-K136 PolarHBondContact CE1-O 3.22Å; H98-K136 PolarHBondContact NE2-N 2.97Å; H98-K136 PolarHBondContact NE2-O 3.22Å
99H79.5Confident87Confident158 Ų15844.4 Ų44.473%0.73121%0.212SC*.THydrogen-bonded Turntrans-76.3-15.6-178.160.1-87.6000113P97P97-H99 WeakPolarHBondContact CB-CE1 3.22Å; P97-H99 PolarHBondContact O-N 2.58Å
100E82.1Confident86.9Confident114 Ų11445 Ų4553%0.53321%0.214SC..THydrogen-bonded Turntrans-102.9-8.2179.7-57.7-175.3179.100112.7P96 P97 H98P96-E100 HydrophobicContact CB-CB 4.22Å; P97-E100 PolarHBondContact O-N 3.33Å; H98-E100 VanDerWaalsContact C-N 3.26Å; H98-E100 PolarHBondContact O-N 2.98Å
101L84.8Confident86.8Confident8 Ų845.6 Ų45.64%0.04222%0.217CC..  trans-119.9117.7-175.9-163.861.7000112.2I69 I74 M95 P96 P97 H103 L106I69-L101 HydrophobicContact CD1-CD1 3.67Å; I74-L101 HydrophobicContact CD1-CD1 4.03Å; I74-L101 HydrophobicContact CD1-CD2 4.27Å; M95-L101 HydrophobicContact SD-CD2 4.3Å; P96-L101 HydrophobicContact CG-CB 4.03Å; P96-L101 HydrophobicContact CG-CD1 3.94Å; P96-L101 HydrophobicContact CG-CD2 4.43Å; P96-L101 HydrophobicContact CG-CG 4.35Å; P97-L101 PolarHBondContact O-N 3.28Å; L101-H103 PolarHBondContact O-CD2 3.37Å; L101-H103 PolarHBondContact O-N 3.23Å; L101-H103 VanDerWaalsContact O-N 3.11Å; L101-L106 HydrophobicContact CD2-CD2 3.94Å
102D87.4Confident86.7Confident72 Ų7247.3 Ų47.339%0.38523%0.232SC..  trans-75.2101.6166.6-175.7-25.5000109.8H104 K105 L106D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.45Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.27Å; D102-H104 PolarHBondContact OD1-N 3.03Å; D102-K105 HydrophobicContact CB-CB 3.94Å; D102-K105 HydrophobicContact CB-CD 4Å; D102-K105 HydrophobicContact CB-CG 4.19Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact OD1-N 2.92Å; D102-K105 WeakPolarHBondContact OD2-CD 3.38Å; D102-K105 WeakPolarHBondContact OD2-CG 2.87Å; D102-L106 WeakPolarHBondContact O-CB 3.3Å; D102-L106 PolarHBondContact O-N 3.24Å
103H85.2Confident86.7Confident31 Ų3147.9 Ų47.914%0.14424%0.235CC..Hα-helixtrans-65.3-25.6-179.3-77-82.6000113.4H98 L101 L107 W141H98-H103 AromaticContact CE1-CE1 3.87Å; H98-H103 AromaticContact CE1-NE2 3.69Å; H98-H103 AromaticContact ND1-CD2 3.83Å; H98-H103 AromaticContact ND1-CE1 3.65Å; H98-H103 AromaticContact ND1-NE2 3.01Å; H98-H103 PolarHBondContact ND1-NE2 2.93Å; L101-H103 PolarHBondContact O-CD2 3.37Å; L101-H103 PolarHBondContact O-N 3.23Å; L101-H103 VanDerWaalsContact O-N 3.11Å; H103-L107 PolarHBondContact O-N 2.85Å; H103-L107 VanDerWaalsContact O-N 3.13Å; H103-W141 HydrophobicContact CB-CG 4.37Å; H103-W141 PolarHBondContact O-NE1 3.39Å
104H87.3Confident86.9Confident124 Ų12447.6 Ų47.657%0.57423%0.233SC*.Hα-helixtrans-75.4-47.2174.7179.176.5000110.5D102 L106 L107 M108D102-H104 VanDerWaalsContact C-N 3.26Å; D102-H104 PolarHBondContact O-N 3.45Å; D102-H104 WeakPolarHBondContact OD1-CA 3.47Å; D102-H104 WeakPolarHBondContact OD1-CB 3.27Å; D102-H104 PolarHBondContact OD1-N 3.03Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 PolarHBondContact O-N 3.25Å; H104-L107 WeakPolarHBondContact O-CB 3.11Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-L107 VanDerWaalsContact O-N 3.15Å; H104-M108 WeakPolarHBondContact O-CG 3.45Å; H104-M108 PolarHBondContact O-N 2.84Å
105K89.6Confident87.1Confident77 Ų7748.3 Ų48.334%0.33524%0.24SC..Hα-helixtrans-59.7-39.3172.6-80.6-179174.2-179.60112.3D68 I69 D102 M108 Y109D68-K105 WeakPolarHBondContact OD2-CD 3.44Å; D68-K105 IonicContact OD2-NZ 3.82Å; D68-K105 PolarHBondContact OD2-NZ 3.28Å; I69-K105 HydrophobicContact CD1-CB 4.15Å; I69-K105 HydrophobicContact CG1-CB 4.05Å; D102-K105 HydrophobicContact CB-CB 3.94Å; D102-K105 HydrophobicContact CB-CD 4Å; D102-K105 HydrophobicContact CB-CG 4.19Å; D102-K105 PolarHBondContact O-N 3.45Å; D102-K105 PolarHBondContact OD1-N 2.92Å; D102-K105 WeakPolarHBondContact OD2-CD 3.38Å; D102-K105 WeakPolarHBondContact OD2-CG 2.87Å; K105-M108 PolarHBondContact O-N 2.91Å; K105-Y109 WeakPolarHBondContact O-CB 3.47Å; K105-Y109 PolarHBondContact O-N 3.14Å
106L89.9Confident87.2Confident3 Ų353.8 Ų53.82%0.01627%0.265CS..Hα-helixtrans-56-53.3172.5174.962.7000110.1I69 I74 M95 L101 D102 H104 M108 Y109 L110 W141I69-L106 HydrophobicContact CD1-CB 4.41Å; I69-L106 HydrophobicContact CG2-CB 4.46Å; I69-L106 HydrophobicContact CG2-CD1 3.62Å; I74-L106 HydrophobicContact CD1-CD1 4.08Å; I74-L106 HydrophobicContact CG2-CD1 4.2Å; M95-L106 HydrophobicContact SD-CD2 4.09Å; L101-L106 HydrophobicContact CD2-CD2 3.94Å; D102-L106 WeakPolarHBondContact O-CB 3.3Å; D102-L106 PolarHBondContact O-N 3.24Å; H104-L106 VanDerWaalsContact C-N 3.28Å; H104-L106 PolarHBondContact O-N 3.25Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 3.23Å; L106-Y109 WeakPolarHBondContact O-CB 3.25Å; L106-Y109 PolarHBondContact O-N 3.49Å; L106-Y109 VanDerWaalsContact O-N 3.1Å; L106-L110 HydrophobicContact CD1-CD2 4.23Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.38Å; L106-W141 HydrophobicContact CD2-CH2 4.46Å; L106-W141 HydrophobicContact CD2-CZ2 4.23Å
107L89.1Confident87.5Confident13 Ų1355.7 Ų55.77%0.06827%0.271CS..Hα-helixtrans-56.5-41.9179.2-179.259.6000112.4H103 H104 L110 K111 W141 A145 E148 F149H103-L107 PolarHBondContact O-N 2.85Å; H103-L107 VanDerWaalsContact O-N 3.13Å; H104-L107 WeakPolarHBondContact O-CB 3.11Å; H104-L107 PolarHBondContact O-N 3.48Å; H104-L107 VanDerWaalsContact O-N 3.15Å; L107-L110 WeakPolarHBondContact O-CB 3.3Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.39Å; L107-W141 HydrophobicContact CB-CZ2 4.38Å; L107-A145 HydrophobicContact CD1-CB 3.72Å; L107-A145 HydrophobicContact CD2-CB 4.32Å; L107-E148 HydrophobicContact CD1-CB 4.46Å; L107-E148 HydrophobicContact CD2-CB 4.12Å; L107-E148 HydrophobicContact CD2-CG 4.14Å; L107-E148 HydrophobicContact CG-CG 4.35Å; L107-F149 HydrophobicContact CD1-CD2 4.46Å; L107-F149 HydrophobicContact CD1-CE2 3.58Å; L107-F149 HydrophobicContact CD1-CZ 3.81Å
108M89.5Confident87.8Confident63 Ų6354.4 Ų54.431%0.3126%0.263SS..Hα-helixtrans-67.6-38.8177-66.7-62-7700112.5Y66 H104 K105 L106 K111 A112Y66-M108 HydrophobicContact CE1-CB 3.76Å; H104-M108 WeakPolarHBondContact O-CG 3.45Å; H104-M108 PolarHBondContact O-N 2.84Å; K105-M108 PolarHBondContact O-N 2.91Å; L106-M108 VanDerWaalsContact C-N 3.28Å; L106-M108 PolarHBondContact O-N 3.23Å; M108-K111 WeakPolarHBondContact O-CB 3.37Å; M108-K111 PolarHBondContact O-N 3.28Å; M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.45Å
109Y90.1Very high88.3Confident31 Ų3159.5 Ų59.512%0.12229%0.287CS..Hα-helixtrans-64.1-42.5173.8178.5-113.5000111.9L60 Y66 I69 A70 V75 K105 L106 K111 A112 T113L60-Y109 HydrophobicContact CD1-CE2 3.99Å; Y66-Y109 HydrophobicContact CD1-CD2 4.43Å; Y66-Y109 HydrophobicContact CD2-CD2 4.04Å; Y66-Y109 AromaticContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CD2 3.71Å; Y66-Y109 HydrophobicContact CG-CG 4.27Å; I69-Y109 HydrophobicContact CB-CD1 4.34Å; I69-Y109 HydrophobicContact CB-CG 4.4Å; I69-Y109 HydrophobicContact CG2-CD1 3.6Å; I69-Y109 HydrophobicContact CG2-CE1 4.29Å; I69-Y109 HydrophobicContact CG2-CG 4.05Å; A70-Y109 HydrophobicContact CB-CE1 4.49Å; A70-Y109 HydrophobicContact CB-CE2 4.1Å; V75-Y109 HydrophobicContact CB-CE1 4.44Å; K105-Y109 WeakPolarHBondContact O-CB 3.47Å; K105-Y109 PolarHBondContact O-N 3.14Å; L106-Y109 WeakPolarHBondContact O-CB 3.25Å; L106-Y109 PolarHBondContact O-N 3.49Å; L106-Y109 VanDerWaalsContact O-N 3.1Å; Y109-K111 VanDerWaalsContact C-N 3.31Å; Y109-K111 PolarHBondContact O-N 3.15Å; Y109-A112 PolarHBondContact O-N 3.17Å; Y109-T113 WeakPolarHBondContact O-CB 3.46Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 2.91Å
110L90.5Very high88.8Confident13 Ų1355.9 Ų55.97%0.06828%0.279CS..Hα-helixtrans-57.7-46.2173.4-66-174.6000111.4V75 F90 L106 L107 T113 L114 F149V75-L110 HydrophobicContact CB-CD2 4.12Å; V75-L110 HydrophobicContact CG2-CD2 3.1Å; F90-L110 HydrophobicContact CD1-CD2 3.99Å; F90-L110 HydrophobicContact CE1-CD1 3.87Å; F90-L110 HydrophobicContact CE1-CD2 3.27Å; F90-L110 HydrophobicContact CE1-CG 4.06Å; F90-L110 HydrophobicContact CZ-CD2 4.05Å; L106-L110 HydrophobicContact CD1-CD2 4.23Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.26Å; L106-L110 WeakPolarHBondContact O-CG 3.37Å; L106-L110 PolarHBondContact O-N 3.38Å; L107-L110 WeakPolarHBondContact O-CB 3.3Å; L107-L110 PolarHBondContact O-N 3.37Å; L110-T113 PolarHBondContact O-N 3.45Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 2.96Å; L110-F149 HydrophobicContact CB-CZ 3.9Å
111K90.3Very high89.3Confident48 Ų4853.7 Ų53.721%0.20927%0.271CS..Hα-helixtrans-62-49.2178.4-164.9-179.4179.2178.10111.5L107 M108 Y109 T113 L114 D115 E148 F149 Y153L107-K111 WeakPolarHBondContact O-CB 3.43Å; L107-K111 PolarHBondContact O-N 3.39Å; M108-K111 WeakPolarHBondContact O-CB 3.37Å; M108-K111 PolarHBondContact O-N 3.28Å; Y109-K111 VanDerWaalsContact C-N 3.31Å; Y109-K111 PolarHBondContact O-N 3.15Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 2.95Å; K111-L114 PolarHBondContact O-N 3.07Å; K111-D115 WeakPolarHBondContact O-CB 3.43Å; K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 3.43Å; K111-E148 HydrophobicContact CD-CG 4.36Å; K111-E148 IonicContact NZ-OE1 2.75Å; K111-E148 PolarHBondContact NZ-OE1 3.02Å; K111-F149 HydrophobicContact CB-CE1 4.38Å; K111-Y153 WeakPolarHBondContact CE-OH 3.29Å; K111-Y153 HydrophobicContact CG-CE1 4.18Å; K111-Y153 WeakPolarHBondContact CG-OH 3.34Å
112A88.9Confident89.7Confident38 Ų3853.4 Ų53.431%0.31427%0.269SS..Hα-helixtrans-61.6-33.6177.700000113Y66 M108 Y109 Q116Y66-A112 HydrophobicContact CE2-CB 4.29Å; M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.45Å; Y109-A112 PolarHBondContact O-N 3.17Å; A112-Q116 PolarHBondContact O-NE2 3.48Å; A112-Q116 VanDerWaalsContact O-NE2 3.12Å
113T89.4Confident90Very high13 Ų1350 Ų508%0.0825%0.251CS..Hα-helixtrans-71.2-48.8175.2-56.80000110.3V75 V77 Y109 L110 K111 D115 Q116 Y117V75-T113 HydrophobicContact CG1-CG2 3.97Å; V77-T113 HydrophobicContact CG2-CG2 4.32Å; Y109-T113 WeakPolarHBondContact O-CB 3.46Å; Y109-T113 PolarHBondContact O-N 2.9Å; Y109-T113 PolarHBondContact O-OG1 2.91Å; L110-T113 PolarHBondContact O-N 3.45Å; K111-T113 VanDerWaalsContact C-N 3.26Å; K111-T113 PolarHBondContact O-N 2.95Å; T113-D115 PolarHBondContact O-N 3.36Å; T113-Q116 PolarHBondContact O-N 3.32Å; T113-Y117 VanDerWaalsContact O-CD2 3.23Å; T113-Y117 WeakPolarHBondContact O-CD2 3.15Å
114L90.1Very high90.4Very high7 Ų749.2 Ų49.24%0.03725%0.248CC..Hα-helixtrans-66.3-36.8-179.3-73.7169.7000112.4I88 F90 L110 K111 Q116 Y117 V118 Y122 L124 F149 Y153I88-L114 HydrophobicContact CD1-CD2 3.54Å; F90-L114 HydrophobicContact CZ-CD1 4.47Å; L110-L114 WeakPolarHBondContact O-CB 3.31Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.25Å; L110-L114 PolarHBondContact O-N 2.96Å; K111-L114 PolarHBondContact O-N 3.07Å; L114-Q116 PolarHBondContact O-N 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-V118 VanDerWaalsContact C-CG1 3.48Å; L114-V118 HydrophobicContact CB-CG1 3.75Å; L114-V118 WeakPolarHBondContact O-CG1 3.37Å; L114-V118 PolarHBondContact O-N 2.95Å; L114-Y122 HydrophobicContact CD2-CE2 3.82Å; L114-L124 HydrophobicContact CD2-CD2 4.27Å; L114-F149 HydrophobicContact CD1-CD1 4.08Å; L114-F149 HydrophobicContact CD1-CE1 3.48Å; L114-F149 VanDerWaalsContact CD1-CE1 3.48Å; L114-F149 HydrophobicContact CD1-CZ 3.99Å; L114-Y153 HydrophobicContact CB-CD1 3.88Å; L114-Y153 HydrophobicContact CB-CE1 3.97Å; L114-Y153 HydrophobicContact CD1-CD1 4.26Å
115D91.6Very high90.7Very high64 Ų6443.3 Ų43.334%0.34222%0.221SC..THydrogen-bonded Turntrans-56.2-24179.6-81.5-29.6000113.1K111 T113 Y117 K152 Y153K111-D115 WeakPolarHBondContact O-CB 3.43Å; K111-D115 VanDerWaalsContact O-CG 3.28Å; K111-D115 PolarHBondContact O-N 3.43Å; T113-D115 PolarHBondContact O-N 3.36Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.4Å; D115-K152 IonicContact OD1-NZ 3.91Å; D115-K152 PolarHBondContact OD1-NZ 3.23Å; D115-K152 IonicContact OD2-NZ 2.88Å; D115-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D115-Y153 WeakPolarHBondContact OD1-CE1 3.4Å; D115-Y153 VanDerWaalsContact OD1-CZ 3.32Å; D115-Y153 PolarHBondContact OD1-OH 2.99Å; D115-Y153 PolarHBondContact OD2-OH 3.37Å
116Q89.8Confident90.9Very high135 Ų13541.9 Ų41.963%0.63121%0.213SC*.THydrogen-bonded Turntrans-73.6-18.6175.1-63.8169.652.500113.8A112 T113 L114A112-Q116 PolarHBondContact O-NE2 3.48Å; A112-Q116 VanDerWaalsContact O-NE2 3.12Å; T113-Q116 PolarHBondContact O-N 3.32Å; L114-Q116 PolarHBondContact O-N 3.39Å
117Y89.7Confident91Very high53 Ų5341.7 Ų41.721%0.20821%0.213CC..THydrogen-bonded Turntrans-127.6-19.4-169.9-56.2-73.9000114.3V77 K86 I88 T113 L114 D115 E119 S120V77-Y117 HydrophobicContact CG1-CE1 4.3Å; V77-Y117 HydrophobicContact CG1-CE2 4.38Å; V77-Y117 HydrophobicContact CG2-CD2 4.49Å; V77-Y117 HydrophobicContact CG2-CE2 3.63Å; K86-Y117 HydrophobicContact CB-CD1 4.08Å; K86-Y117 HydrophobicContact CD-CD1 4.3Å; K86-Y117 HydrophobicContact CD-CE1 4.06Å; K86-Y117 HydrophobicContact CG-CD1 3.78Å; K86-Y117 HydrophobicContact CG-CE1 4.06Å; I88-Y117 HydrophobicContact CD1-CD2 3.89Å; I88-Y117 HydrophobicContact CD1-CG 4.18Å; T113-Y117 VanDerWaalsContact O-CD2 3.23Å; T113-Y117 WeakPolarHBondContact O-CD2 3.15Å; L114-Y117 PolarHBondContact O-N 3.08Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.4Å; Y117-E119 PolarHBondContact O-N 3.44Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; Y117-S120 PolarHBondContact O-N 3.41Å
118V89.9Confident90.9Very high7 Ų741.3 Ų41.34%0.04221%0.21CC..THydrogen-bonded Turntrans-63.4-18.9-169.9-69.30000115L114 S120 Y122 Y153 N156L114-V118 VanDerWaalsContact C-CG1 3.48Å; L114-V118 HydrophobicContact CB-CG1 3.75Å; L114-V118 WeakPolarHBondContact O-CG1 3.37Å; L114-V118 PolarHBondContact O-N 2.95Å; V118-S120 VanDerWaalsContact C-N 3.31Å; V118-Y122 HydrophobicContact CB-CE1 4.38Å; V118-Y122 HydrophobicContact CG1-CE1 4.13Å; V118-Y153 HydrophobicContact CB-CD1 4.37Å; V118-Y153 HydrophobicContact CG1-CD1 3.38Å; V118-Y153 HydrophobicContact CG1-CE1 3.95Å; V118-Y153 HydrophobicContact CG1-CG 4.23Å; V118-N156 PolarHBondContact O-ND2 3.43Å
119E89.9Confident90.8Very high178 Ų17839.8 Ų39.883%0.83220%0.203SC*.THydrogen-bonded Turntrans-74.6-23.4176.1-62.1-165.7157.700112.9Y117 N156Y117-E119 PolarHBondContact O-N 3.44Å; Y117-E119 VanDerWaalsContact O-N 3.09Å; E119-N156 PolarHBondContact O-ND2 3.37Å; E119-N156 VanDerWaalsContact O-ND2 3.07Å
120S90.2Very high90.3Very high81 Ų8139.5 Ų39.557%0.56621%0.21SC*.SBendtrans-101.7164.5177.4-68.40000111.4Y117 V118 Y122 N156Y117-S120 PolarHBondContact O-N 3.41Å; V118-S120 VanDerWaalsContact C-N 3.31Å; S120-Y122 WeakPolarHBondContact O-CD1 3.46Å; S120-N156 WeakPolarHBondContact O-CB 3.41Å
121D92.9Very high89.8Confident68 Ų6840.8 Ų40.836%0.36422%0.217SC..  trans-69.4131.9172.8-72.4-24.8000110.7R85 N156 K158R85-D121 WeakPolarHBondContact CB-O 3.34Å; R85-D121 HydrophobicContact CG-CB 4.31Å; D121-N156 WeakPolarHBondContact CA-O 3.46Å; D121-K158 HydrophobicContact CB-CG 4.18Å; D121-K158 WeakPolarHBondContact OD1-CE 3.46Å; D121-K158 IonicContact OD1-NZ 4Å; D121-K158 PolarHBondContact OD1-NZ 2.96Å; D121-K158 WeakPolarHBondContact OD2-CE 3.22Å; D121-K158 IonicContact OD2-NZ 2.88Å; D121-K158 PolarHBondContact OD2-NZ 3.39Å
122Y92.6Very high89.2Confident2 Ų241.8 Ų41.81%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-145.9163.5-176.570.5-80.6000112.8K86 I88 L114 V118 S120 L124 Y153 N156 I157 K158K86-Y122 WeakPolarHBondContact O-CA 3.44Å; K86-Y122 WeakPolarHBondContact O-CB 3.43Å; I88-Y122 HydrophobicContact CD1-CD2 3.86Å; I88-Y122 HydrophobicContact CD1-CE2 4.15Å; I88-Y122 HydrophobicContact CG1-CD2 4.49Å; L114-Y122 HydrophobicContact CD2-CE2 3.82Å; V118-Y122 HydrophobicContact CB-CE1 4.38Å; V118-Y122 HydrophobicContact CG1-CE1 4.13Å; S120-Y122 WeakPolarHBondContact O-CD1 3.46Å; Y122-L124 HydrophobicContact CD2-CD2 3.89Å; Y122-L124 HydrophobicContact CD2-CG 4.18Å; Y122-L124 HydrophobicContact CE2-CD1 4.29Å; Y122-L124 HydrophobicContact CE2-CD2 3.61Å; Y122-L124 HydrophobicContact CE2-CG 3.82Å; Y122-Y153 PolarHBondContact OH-O 3.5Å; Y122-N156 HydrophobicContact CD1-CB 4.32Å; Y122-N156 HydrophobicContact CE1-CB 4.29Å; Y122-N156 PolarHBondContact N-O 3.34Å; Y122-N156 VanDerWaalsContact N-O 3.15Å; Y122-I157 HydrophobicContact CD1-CG1 4.49Å; Y122-I157 HydrophobicContact CD2-CG1 4.25Å; Y122-I157 HydrophobicContact CE1-CG1 3.8Å; Y122-I157 HydrophobicContact CE2-CD1 4.17Å; Y122-I157 HydrophobicContact CE2-CG1 3.52Å; Y122-I157 CarbonylContact O-C 3.43Å; Y122-I157 WeakPolarHBondContact O-CA 3.32Å; Y122-I157 WeakPolarHBondContact OH-CG1 3.21Å; Y122-K158 PolarHBondContact O-N 2.95Å
123T92.6Very high88.6Confident0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-117.7138179.9-68.90000109.7D81 K86 V87 I88 A159 Y161D81-T123 PolarHBondContact OD2-OG1 3.36Å; K86-T123 PolarHBondContact O-N 3.33Å; V87-T123 WeakPolarHBondContact CA-O 3.35Å; I88-T123 PolarHBondContact N-O 3.41Å; T123-A159 HydrophobicContact CG2-CB 4.38Å; T123-Y161 HydrophobicContact CG2-CD2 3.73Å; T123-Y161 HydrophobicContact CG2-CE2 3.6Å
124L93.8Very high88Confident16 Ų1649.9 Ų49.98%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-107.4135.9174.3-68.7-173.1000110.5I88 F90 L114 Y122 I157 A159 L160 Y161I88-L124 HydrophobicContact CB-CD2 3.68Å; I88-L124 HydrophobicContact CD1-CD2 4.43Å; I88-L124 HydrophobicContact CG1-CD2 4.48Å; I88-L124 HydrophobicContact CG2-CD2 4.22Å; I88-L124 WeakPolarHBondContact O-CA 3.19Å; F90-L124 HydrophobicContact CD2-CD2 4.48Å; F90-L124 HydrophobicContact CE2-CD2 3.83Å; L114-L124 HydrophobicContact CD2-CD2 4.27Å; Y122-L124 HydrophobicContact CD2-CD2 3.89Å; Y122-L124 HydrophobicContact CD2-CG 4.18Å; Y122-L124 HydrophobicContact CE2-CD1 4.29Å; Y122-L124 HydrophobicContact CE2-CD2 3.61Å; Y122-L124 HydrophobicContact CE2-CG 3.82Å; L124-I157 HydrophobicContact CD1-CD1 3.56Å; L124-I157 HydrophobicContact CD1-CG1 4.18Å; L124-I157 HydrophobicContact CG-CD1 4.27Å; L124-I157 HydrophobicContact CG-CG1 4.36Å; L124-A159 PolarHBondContact N-O 3.21Å; L124-L160 HydrophobicContact CB-CB 4.44Å; L124-L160 HydrophobicContact CB-CD1 3.48Å; L124-L160 VanDerWaalsContact CB-CD1 3.48Å; L124-L160 HydrophobicContact CD1-CD1 4.18Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; L124-L160 CarbonylContact O-C 3.58Å; L124-L160 WeakPolarHBondContact O-CA 3.49Å; L124-Y161 PolarHBondContact O-N 3.01Å
125I93.4Very high87.6Confident0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-121.9126.7169.9-56.6174.5000107.8V87 I88 V89 F90 F127 Y161 V163 L197 V201 L206V87-I125 HydrophobicContact CG1-CD1 3.47Å; V87-I125 VanDerWaalsContact CG1-CD1 3.47Å; V87-I125 HydrophobicContact CG1-CG1 3.93Å; I88-I125 PolarHBondContact O-N 3.02Å; V89-I125 CarbonylContact C-O 3.52Å; V89-I125 WeakPolarHBondContact CA-O 3.5Å; V89-I125 HydrophobicContact CG2-CB 4.34Å; V89-I125 HydrophobicContact CG2-CD1 4.47Å; F90-I125 PolarHBondContact N-O 3.15Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.34Å; I125-F127 HydrophobicContact CG2-CE2 3.84Å; I125-F127 HydrophobicContact CG2-CZ 3.9Å; I125-Y161 CarbonylContact C-O 3.6Å; I125-Y161 WeakPolarHBondContact CA-O 3.45Å; I125-Y161 HydrophobicContact CG1-CD2 4.27Å; I125-V163 HydrophobicContact CG2-CG2 3.8Å; I125-L197 HydrophobicContact CD1-CD1 4.19Å; I125-L197 HydrophobicContact CD1-CD2 4.44Å; I125-L197 HydrophobicContact CG2-CD2 4.32Å; I125-V201 HydrophobicContact CD1-CB 4.44Å; I125-V201 HydrophobicContact CD1-CG1 4.27Å; I125-V201 HydrophobicContact CD1-CG2 4.09Å; I125-L206 HydrophobicContact CD1-CD1 3.85Å; I125-L206 HydrophobicContact CD1-CD2 3.84Å
126Y93.8Very high87.1Confident46 Ų4651.4 Ų51.418%0.1827%0.272CS..EExtended strand (participates in β ladder)trans-117.4106.2175.9174-119.6000109.3F90 A92 H128 L131 Y161 I162 V163 I169F90-Y126 HydrophobicContact CB-CD2 3.79Å; F90-Y126 WeakPolarHBondContact O-CA 3.46Å; A92-Y126 HydrophobicContact CB-CE2 3.84Å; Y126-H128 HydrophobicContact CD1-CB 4.12Å; Y126-H128 HydrophobicContact CE1-CB 3.62Å; Y126-H128 AromaticContact CE1-CG 3.87Å; Y126-H128 AromaticContact CE1-ND1 3.41Å; Y126-H128 WeakPolarHBondContact CE1-ND1 3.31Å; Y126-H128 AromaticContact CZ-ND1 3.66Å; Y126-H128 PolarHBondContact O-N 2.96Å; Y126-H128 PolarHBondContact OH-ND1 3.31Å; Y126-H128 VanDerWaalsContact OH-ND1 3.12Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.28Å; Y126-Y161 PolarHBondContact N-O 3.41Å; Y126-I162 HydrophobicContact CD1-CG1 4.28Å; Y126-I162 HydrophobicContact CD1-CG2 3.99Å; Y126-V163 PolarHBondContact O-N 3.25Å; Y126-I169 HydrophobicContact CE1-CD1 4.34Å; Y126-I169 HydrophobicContact CE1-CG1 4.32Å
127F92.4Very high86.6Confident0 Ų045.7 Ų45.70%025%0.246CC..EExtended strand (participates in β ladder)trans-79.3103.3171.1-68.7-70.6000108.9V89 F90 N91 A92 I125 V163 L194 L197 I208 V212V89-F127 HydrophobicContact CG1-CD2 3.54Å; V89-F127 HydrophobicContact CG1-CE2 3.51Å; F90-F127 PolarHBondContact O-N 3.42Å; N91-F127 VanDerWaalsContact OD1-CD2 3.23Å; N91-F127 WeakPolarHBondContact OD1-CD2 3.48Å; A92-F127 WeakPolarHBondContact CB-O 3.3Å; A92-F127 PolarHBondContact N-O 3.12Å; I125-F127 HydrophobicContact CG2-CD2 4.21Å; I125-F127 HydrophobicContact CG2-CE1 4.34Å; I125-F127 HydrophobicContact CG2-CE2 3.84Å; I125-F127 HydrophobicContact CG2-CZ 3.9Å; F127-V163 HydrophobicContact CD1-CB 3.58Å; F127-V163 HydrophobicContact CD1-CG1 3.68Å; F127-V163 HydrophobicContact CD1-CG2 3.9Å; F127-V163 HydrophobicContact CE1-CB 3.92Å; F127-V163 HydrophobicContact CE1-CG1 3.79Å; F127-V163 HydrophobicContact CE1-CG2 3.82Å; F127-V163 HydrophobicContact CG-CB 4.49Å; F127-L194 HydrophobicContact CD1-CD2 4.5Å; F127-L194 HydrophobicContact CE1-CD2 3.72Å; F127-L197 HydrophobicContact CE1-CD2 3.93Å; F127-L197 HydrophobicContact CZ-CD2 3.81Å; F127-I208 HydrophobicContact CE1-CG2 4.23Å; F127-I208 HydrophobicContact CZ-CD1 4.4Å; F127-I208 HydrophobicContact CZ-CG1 3.95Å; F127-I208 HydrophobicContact CZ-CG2 4.22Å; F127-V212 HydrophobicContact CB-CG2 4.2Å; F127-V212 HydrophobicContact CD1-CG1 3.63Å; F127-V212 HydrophobicContact CD1-CG2 4.49Å; F127-V212 HydrophobicContact CE1-CG1 4.07Å; F127-V212 HydrophobicContact CG-CG1 4.37Å; F127-V212 HydrophobicContact CG-CG2 4.45Å
128H88.6Confident86.3Confident4 Ų445.9 Ų45.92%0.01926%0.256CS..  trans-80.2-27.9-171.6178.564.8000113.6Y126 G130 I162 V163 H164 T166Y126-H128 HydrophobicContact CD1-CB 4.12Å; Y126-H128 HydrophobicContact CE1-CB 3.62Å; Y126-H128 AromaticContact CE1-CG 3.87Å; Y126-H128 AromaticContact CE1-ND1 3.41Å; Y126-H128 WeakPolarHBondContact CE1-ND1 3.31Å; Y126-H128 AromaticContact CZ-ND1 3.66Å; Y126-H128 PolarHBondContact O-N 2.96Å; Y126-H128 PolarHBondContact OH-ND1 3.31Å; Y126-H128 VanDerWaalsContact OH-ND1 3.12Å; H128-G130 PolarHBondContact O-N 3.2Å; H128-I162 HydrophobicContact CB-CG2 4.4Å; H128-V163 WeakPolarHBondContact CB-O 3.46Å; H128-V163 PolarHBondContact N-O 2.97Å; H128-H164 PolarHBondContact CD2-O 2.92Å; H128-T166 PolarHBondContact CD2-N 2.87Å; H128-T166 WeakPolarHBondContact NE2-CB 3.35Å; H128-T166 VanDerWaalsContact NE2-CG2 3.32Å; H128-T166 WeakPolarHBondContact NE2-CG2 3.47Å; H128-T166 PolarHBondContact NE2-OG1 3.08Å
129N86.2Confident85.6Confident31 Ų3150.4 Ų50.417%0.16628%0.279CS..THydrogen-bonded Turntrans-54.4140.9-179-179.448000111.6C93 H164 R211 Y215C93-N129 WeakPolarHBondContact CA-O 3.36Å; C93-N129 VanDerWaalsContact CB-O 3.26Å; C93-N129 WeakPolarHBondContact CB-O 3.33Å; C93-N129 PolarHBondContact N-O 3.31Å; C93-N129 VanDerWaalsContact N-O 3.15Å; N129-H164 HydrophobicContact CB-CB 4.4Å; N129-R211 PolarHBondContact ND2-O 2.9Å; N129-R211 VanDerWaalsContact ND2-O 3.07Å; N129-Y215 HydrophobicContact CB-CD1 4.24Å; N129-Y215 HydrophobicContact CB-CG 4.36Å; N129-Y215 VanDerWaalsContact ND2-CB 3.28Å; N129-Y215 WeakPolarHBondContact ND2-CB 3.32Å; N129-Y215 WeakPolarHBondContact OD1-CD2 3.23Å
130G80.3Confident85Confident26 Ų2645 Ų4527%0.26826%0.26SS..THydrogen-bonded Turntrans98.72.7178.600000116H128 N135H128-G130 PolarHBondContact O-N 3.2Å; G130-N135 PolarHBondContact O-ND2 2.84Å
131L79.8Confident84.7Confident39 Ų3943.1 Ų43.120%0.20424%0.241CC..  trans-74.5132.7165.5-73-172.5000112A92 M95 Y126 N135A92-L131 HydrophobicContact CB-CD1 4.48Å; A92-L131 HydrophobicContact CB-CD2 3.96Å; A92-L131 HydrophobicContact CB-CG 3.81Å; M95-L131 HydrophobicContact CE-CD2 3.48Å; M95-L131 VanDerWaalsContact CE-CD2 3.48Å; Y126-L131 WeakPolarHBondContact OH-CD1 3.28Å; L131-N135 VanDerWaalsContact CA-OD1 3.31Å; L131-N135 WeakPolarHBondContact CA-OD1 3.41Å; L131-N135 WeakPolarHBondContact CD2-OD1 3.5Å
132T76.9Confident84.2Confident70 Ų7041.8 Ų41.843%0.42923%0.234SC..  trans-127.3177.1174.470.40000109.8E134 N135 K136T132-E134 PolarHBondContact O-N 2.83Å; T132-E134 PolarHBondContact OG1-N 3.42Å; T132-N135 PolarHBondContact N-OD1 2.91Å; T132-N135 PolarHBondContact O-N 3.15Å; T132-N135 PolarHBondContact O-OD1 2.9Å; T132-K136 WeakPolarHBondContact O-CB 3.11Å; T132-K136 VanDerWaalsContact O-CG 3.3Å; T132-K136 WeakPolarHBondContact O-CG 3.3Å; T132-K136 PolarHBondContact O-N 2.69Å; T132-K136 VanDerWaalsContact O-N 3.13Å
133S76Confident83.5Confident92 Ų9247 Ų4764%0.64325%0.254SS*.THydrogen-bonded Turntrans-60.8-20.3172.446.10000113.8
134E77.6Confident82.9Confident128 Ų12850.5 Ų50.560%0.59827%0.272SS*.THydrogen-bonded Turntrans-89.6-19-173.5-61-177.6164.600113.7P97 H98 T132P97-E134 CarbonylContact C-O 3.29Å; P97-E134 VanDerWaalsContact CA-O 3.26Å; P97-E134 WeakPolarHBondContact CA-O 3.45Å; H98-E134 VanDerWaalsContact CD2-C 3.42Å; H98-E134 PolarHBondContact CD2-O 3.37Å; H98-E134 PolarHBondContact N-O 2.96Å; T132-E134 PolarHBondContact O-N 2.83Å; T132-E134 PolarHBondContact OG1-N 3.42Å
135N81Confident82.4Confident13 Ų1350.1 Ų50.17%0.0727%0.271CS..THydrogen-bonded Turntrans-125.8-7.3-177.26811.2000114.2M95 P96 H98 G130 L131 T132 P137M95-N135 HydrophobicContact CB-CB 4.49Å; M95-N135 PolarHBondContact O-ND2 3.36Å; P96-N135 WeakPolarHBondContact O-CB 3.39Å; H98-N135 VanDerWaalsContact NE2-C 3.29Å; G130-N135 PolarHBondContact O-ND2 2.84Å; L131-N135 VanDerWaalsContact CA-OD1 3.31Å; L131-N135 WeakPolarHBondContact CA-OD1 3.41Å; L131-N135 WeakPolarHBondContact CD2-OD1 3.5Å; T132-N135 PolarHBondContact N-OD1 2.91Å; T132-N135 PolarHBondContact O-N 3.15Å; T132-N135 PolarHBondContact O-OD1 2.9Å; N135-P137 WeakPolarHBondContact O-CD 3.22Å
136K82.1Confident81.8Confident90 Ų9052.6 Ų52.639%0.39128%0.281SS..PPolyproline II helixtrans-68.8121.5-177.367.2-178-173.1176.20112H98 T132 S138H98-K136 PolarHBondContact CE1-O 3.22Å; H98-K136 PolarHBondContact NE2-N 2.97Å; H98-K136 PolarHBondContact NE2-O 3.22Å; T132-K136 WeakPolarHBondContact O-CB 3.11Å; T132-K136 VanDerWaalsContact O-CG 3.3Å; T132-K136 WeakPolarHBondContact O-CG 3.3Å; T132-K136 PolarHBondContact O-N 2.69Å; T132-K136 VanDerWaalsContact O-N 3.13Å; K136-S138 PolarHBondContact O-N 2.85Å
137P79.9Confident81.2Confident15 Ų1558.7 Ų58.710%0.09730%0.303CS..PPolyproline II helixtrans-56.2143.9-180-21.831.5000112.8M95 N135 W141 L142M95-P137 HydrophobicContact CE-CG 3.82Å; N135-P137 WeakPolarHBondContact O-CD 3.22Å; P137-W141 HydrophobicContact CB-CD2 3.99Å; P137-W141 HydrophobicContact CB-CE3 3.21Å; P137-W141 HydrophobicContact CB-CZ3 3.53Å; P137-W141 HydrophobicContact CG-CE3 3.98Å; P137-W141 HydrophobicContact CG-CH2 4.45Å; P137-W141 HydrophobicContact CG-CZ3 3.73Å; P137-L142 HydrophobicContact CB-CD2 4.29Å; P137-L142 HydrophobicContact CB-CG 4.18Å
138S81.9Confident80.8Confident58 Ų5862.3 Ų62.341%0.40632%0.32SS..PPolyproline II helixtrans-65.7155.4178.9690000111.3K136 S140 W141 L142K136-S138 PolarHBondContact O-N 2.85Å; S138-S140 VanDerWaalsContact C-N 3.26Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact OG-OG 2.96Å; S138-W141 PolarHBondContact O-N 3.07Å; S138-W141 WeakPolarHBondContact OG-CB 3.22Å; S138-W141 PolarHBondContact OG-N 3.25Å; S138-L142 WeakPolarHBondContact O-CG 3.45Å; S138-L142 PolarHBondContact O-N 3.26Å
139L75.9Confident80.8Confident101 Ų10163.7 Ų63.753%0.52933%0.326SS..Hα-helixtrans-61.9-35.1177.5-68.2176.1000112.4L142 R143 L172L139-L142 HydrophobicContact CD2-CD1 4.33Å; L139-L142 PolarHBondContact O-N 3.24Å; L139-R143 WeakPolarHBondContact O-CB 3.19Å; L139-R143 PolarHBondContact O-N 2.89Å; L139-R143 VanDerWaalsContact O-N 3.08Å; L139-L172 HydrophobicContact CD2-CD1 3.35Å
140S76.7Confident80.6Confident64 Ų6466 Ų6645%0.44834%0.339SS..Hα-helixtrans-61.9-49.117450.90000110.7S138 L142 R143 D144S138-S140 VanDerWaalsContact C-N 3.26Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact OG-OG 2.96Å; S140-L142 PolarHBondContact O-N 3.47Å; S140-R143 WeakPolarHBondContact O-CB 3.42Å; S140-R143 PolarHBondContact O-N 3.01Å; S140-D144 PolarHBondContact O-N 3.49Å
141W84.7Confident80.8Confident43 Ų4374.4 Ų74.416%0.16336%0.362CS..Hα-helixtrans-60.8-43.5177.4-179.187.6000112.5H103 L106 L107 P137 S138 R143 D144 A145H103-W141 HydrophobicContact CB-CG 4.37Å; H103-W141 PolarHBondContact O-NE1 3.39Å; L106-W141 HydrophobicContact CD2-CH2 4.46Å; L106-W141 HydrophobicContact CD2-CZ2 4.23Å; L107-W141 HydrophobicContact CB-CZ2 4.38Å; P137-W141 HydrophobicContact CB-CD2 3.99Å; P137-W141 HydrophobicContact CB-CE3 3.21Å; P137-W141 HydrophobicContact CB-CZ3 3.53Å; P137-W141 HydrophobicContact CG-CE3 3.98Å; P137-W141 HydrophobicContact CG-CH2 4.45Å; P137-W141 HydrophobicContact CG-CZ3 3.73Å; S138-W141 PolarHBondContact O-N 3.07Å; S138-W141 WeakPolarHBondContact OG-CB 3.22Å; S138-W141 PolarHBondContact OG-N 3.25Å; W141-R143 VanDerWaalsContact C-N 3.3Å; W141-R143 PolarHBondContact O-N 3.26Å; W141-D144 PolarHBondContact O-N 2.97Å; W141-D144 VanDerWaalsContact O-N 3.16Å; W141-A145 HydrophobicContact CD2-CB 4.46Å; W141-A145 HydrophobicContact CE3-CB 4.36Å; W141-A145 HydrophobicContact CH2-CB 4.37Å; W141-A145 HydrophobicContact CZ2-CB 4.4Å; W141-A145 HydrophobicContact CZ3-CB 4.34Å; W141-A145 VanDerWaalsContact O-CB 3.32Å; W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 2.99Å
142L81.4Confident81.1Confident39 Ų3976.8 Ų76.820%0.20437%0.371CS..Hα-helixtrans-60.8-40.3178.6-73.9163.9000112.1P137 S138 L139 S140 Y146 L172 F176P137-L142 HydrophobicContact CB-CD2 4.29Å; P137-L142 HydrophobicContact CB-CG 4.18Å; S138-L142 WeakPolarHBondContact O-CG 3.45Å; S138-L142 PolarHBondContact O-N 3.26Å; L139-L142 HydrophobicContact CD2-CD1 4.33Å; L139-L142 PolarHBondContact O-N 3.24Å; S140-L142 PolarHBondContact O-N 3.47Å; L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.45Å; L142-L172 HydrophobicContact CD1-CD1 4.07Å; L142-L172 HydrophobicContact CD1-CD2 3.55Å; L142-L172 HydrophobicContact CD1-CG 4.36Å; L142-F176 HydrophobicContact CB-CE2 4.31Å; L142-F176 HydrophobicContact CB-CZ 4.1Å
143R78.4Confident81.7Confident113 Ų11373.6 Ų73.643%0.42635%0.351SS..Hα-helixtrans-65.1-43.3175.1-176-168.368.9-174.9-2111.3L139 S140 W141 Y146 R147 F176L139-R143 WeakPolarHBondContact O-CB 3.19Å; L139-R143 PolarHBondContact O-N 2.89Å; L139-R143 VanDerWaalsContact O-N 3.08Å; S140-R143 WeakPolarHBondContact O-CB 3.42Å; S140-R143 PolarHBondContact O-N 3.01Å; W141-R143 VanDerWaalsContact C-N 3.3Å; W141-R143 PolarHBondContact O-N 3.26Å; R143-Y146 PolarHBondContact O-N 3.35Å; R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.08Å; R143-R147 VanDerWaalsContact O-N 3.13Å; R143-F176 HydrophobicContact CB-CE1 3.97Å; R143-F176 HydrophobicContact CB-CZ 4.19Å; R143-F176 HydrophobicContact CG-CE1 4.36Å
144D79.8Confident82.2Confident72 Ų7271 Ų7139%0.38533%0.328SS..Hα-helixtrans-69.4-43.6-177.8-61.2-15.3000110.5S140 W141 Y146 R147 E148S140-D144 PolarHBondContact O-N 3.49Å; W141-D144 PolarHBondContact O-N 2.97Å; W141-D144 VanDerWaalsContact O-N 3.16Å; D144-Y146 VanDerWaalsContact C-N 3.33Å; D144-Y146 PolarHBondContact O-N 3.45Å; D144-R147 PolarHBondContact O-N 2.85Å; D144-R147 VanDerWaalsContact O-N 3.14Å; D144-E148 PolarHBondContact O-N 3.28Å
145A83.4Confident82.7Confident8 Ų871.1 Ų71.17%0.06633%0.327CS..Hα-helixtrans-56.8-43.9170.800000112.1L107 W141 R147 E148 F149L107-A145 HydrophobicContact CD1-CB 3.72Å; L107-A145 HydrophobicContact CD2-CB 4.32Å; W141-A145 HydrophobicContact CD2-CB 4.46Å; W141-A145 HydrophobicContact CE3-CB 4.36Å; W141-A145 HydrophobicContact CH2-CB 4.37Å; W141-A145 HydrophobicContact CZ2-CB 4.4Å; W141-A145 HydrophobicContact CZ3-CB 4.34Å; W141-A145 VanDerWaalsContact O-CB 3.32Å; W141-A145 WeakPolarHBondContact O-CB 3.37Å; W141-A145 PolarHBondContact O-N 2.99Å; A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3.25Å; A145-E148 PolarHBondContact O-N 3.45Å; A145-F149 WeakPolarHBondContact O-CD2 3.28Å; A145-F149 PolarHBondContact O-N 3.02Å; A145-F149 VanDerWaalsContact O-N 3.16Å
146Y81.2Confident83.1Confident52 Ų5271.8 Ų71.820%0.20433%0.331CS..Hα-helixtrans-62.5-34.7177.7-180-97.3000113.4L142 R143 D144 K154 L179 I180L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.45Å; R143-Y146 PolarHBondContact O-N 3.35Å; D144-Y146 VanDerWaalsContact C-N 3.33Å; D144-Y146 PolarHBondContact O-N 3.45Å; Y146-K154 VanDerWaalsContact CE2-CE 3.43Å; Y146-K154 PolarHBondContact O-NZ 2.91Å; Y146-K154 PolarHBondContact OH-NZ 3.47Å; Y146-L179 HydrophobicContact CD1-CB 4.14Å; Y146-L179 HydrophobicContact CE1-CB 3.74Å; Y146-L179 VanDerWaalsContact CE1-O 3.24Å; Y146-L179 WeakPolarHBondContact CE1-O 3.38Å; Y146-L179 PolarHBondContact OH-O 3.5Å; Y146-I180 HydrophobicContact CE2-CG1 3.99Å; Y146-I180 WeakPolarHBondContact OH-CA 3.32Å
147R81.1Confident83.6Confident174 Ų17467.8 Ų67.866%0.65731%0.314SS*.Hα-helixtrans-73.1-37.8176.2-74.1-178.8176-154.5-0.4111.8R143 D144 A145 F149R143-R147 WeakPolarHBondContact O-CG 3.48Å; R143-R147 PolarHBondContact O-N 3.08Å; R143-R147 VanDerWaalsContact O-N 3.13Å; D144-R147 PolarHBondContact O-N 2.85Å; D144-R147 VanDerWaalsContact O-N 3.14Å; A145-R147 VanDerWaalsContact C-N 3.29Å; A145-R147 PolarHBondContact O-N 3.25Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.04Å
148E84.9Confident84.1Confident76 Ų7671.3 Ų71.336%0.35533%0.327SS..Hα-helixtrans-64.5-36.4179.1-165.860.9-153.500112.2L107 K111 D144 A145 D150L107-E148 HydrophobicContact CD1-CB 4.46Å; L107-E148 HydrophobicContact CD2-CB 4.12Å; L107-E148 HydrophobicContact CD2-CG 4.14Å; L107-E148 HydrophobicContact CG-CG 4.35Å; K111-E148 HydrophobicContact CD-CG 4.36Å; K111-E148 IonicContact NZ-OE1 2.75Å; K111-E148 PolarHBondContact NZ-OE1 3.02Å; D144-E148 PolarHBondContact O-N 3.28Å; A145-E148 PolarHBondContact O-N 3.45Å; E148-D150 PolarHBondContact O-N 3.45Å
149F86.8Confident84.5Confident33 Ų3368.7 Ų68.715%0.14531%0.309CS..SBendtrans-80.683.7172.6-64.7-62.3000111.4L107 L110 K111 L114 A145 R147 Y153 K154L107-F149 HydrophobicContact CD1-CD2 4.46Å; L107-F149 HydrophobicContact CD1-CE2 3.58Å; L107-F149 HydrophobicContact CD1-CZ 3.81Å; L110-F149 HydrophobicContact CB-CZ 3.9Å; K111-F149 HydrophobicContact CB-CE1 4.38Å; L114-F149 HydrophobicContact CD1-CD1 4.08Å; L114-F149 HydrophobicContact CD1-CE1 3.48Å; L114-F149 VanDerWaalsContact CD1-CE1 3.48Å; L114-F149 HydrophobicContact CD1-CZ 3.99Å; A145-F149 WeakPolarHBondContact O-CD2 3.28Å; A145-F149 PolarHBondContact O-N 3.02Å; A145-F149 VanDerWaalsContact O-N 3.16Å; R147-F149 VanDerWaalsContact C-N 3.32Å; R147-F149 PolarHBondContact O-N 3.04Å; F149-Y153 HydrophobicContact CB-CD2 4.11Å; F149-Y153 HydrophobicContact CB-CG 4.23Å; F149-Y153 AromaticContact CD1-CD1 3.7Å; F149-Y153 HydrophobicContact CD1-CD1 3.7Å; F149-Y153 AromaticContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CE1 4.08Å; F149-Y153 HydrophobicContact CD1-CE2 4.12Å; F149-Y153 AromaticContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CE1-CD1 4.19Å; F149-Y153 HydrophobicContact CE1-CE1 4.3Å; F149-Y153 HydrophobicContact CG-CD2 4.49Å; F149-Y153 HydrophobicContact CG-CG 4.39Å; F149-K154 WeakPolarHBondContact O-CE 3.5Å; F149-K154 PolarHBondContact O-NZ 2.72Å
150D83.3Confident85.3Confident81 Ų8165.2 Ų65.243%0.43329%0.291SS..  trans-66.8-165.6177.973.925.7000114.2E148 K152 Y153 K154E148-D150 PolarHBondContact O-N 3.45Å; D150-K152 PolarHBondContact O-N 3.47Å; D150-K152 WeakPolarHBondContact OD1-CB 3.24Å; D150-K152 WeakPolarHBondContact OD1-CG 3.35Å; D150-K152 PolarHBondContact OD1-N 3.41Å; D150-Y153 PolarHBondContact O-N 3.23Å; D150-K154 PolarHBondContact O-N 2.82Å
151R83.9Confident86.1Confident201 Ų20163.3 Ų63.376%0.75827%0.274SS*.Hα-helixtrans-57.1-33.3-178.4-174.9177.3178.8-176.4-1.3113.4Y153 K154 K155R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.21Å; R151-K154 PolarHBondContact O-N 3.43Å; R151-K155 WeakPolarHBondContact O-CB 3.42Å; R151-K155 PolarHBondContact O-N 3.01Å
152K87.1Confident86.5Confident90 Ų9061.4 Ų61.439%0.39127%0.267SS..Hα-helixtrans-64.8-39.1-173.883.1-171.2167.3140.90111.4D115 D150D115-K152 IonicContact OD1-NZ 3.91Å; D115-K152 PolarHBondContact OD1-NZ 3.23Å; D115-K152 IonicContact OD2-NZ 2.88Å; D150-K152 PolarHBondContact O-N 3.47Å; D150-K152 WeakPolarHBondContact OD1-CB 3.24Å; D150-K152 WeakPolarHBondContact OD1-CG 3.35Å; D150-K152 PolarHBondContact OD1-N 3.41Å
153Y88Confident86.9Confident3 Ų359.6 Ų59.61%0.01226%0.258CS..Hα-helixtrans-72.8-31.7176.1-54.6-85.2000112.8K111 L114 D115 V118 Y122 F149 D150 R151 I157K111-Y153 WeakPolarHBondContact CE-OH 3.29Å; K111-Y153 HydrophobicContact CG-CE1 4.18Å; K111-Y153 WeakPolarHBondContact CG-OH 3.34Å; L114-Y153 HydrophobicContact CB-CD1 3.88Å; L114-Y153 HydrophobicContact CB-CE1 3.97Å; L114-Y153 HydrophobicContact CD1-CD1 4.26Å; D115-Y153 VanDerWaalsContact OD1-CE1 3.31Å; D115-Y153 WeakPolarHBondContact OD1-CE1 3.4Å; D115-Y153 VanDerWaalsContact OD1-CZ 3.32Å; D115-Y153 PolarHBondContact OD1-OH 2.99Å; D115-Y153 PolarHBondContact OD2-OH 3.37Å; V118-Y153 HydrophobicContact CB-CD1 4.37Å; V118-Y153 HydrophobicContact CG1-CD1 3.38Å; V118-Y153 HydrophobicContact CG1-CE1 3.95Å; V118-Y153 HydrophobicContact CG1-CG 4.23Å; Y122-Y153 PolarHBondContact OH-O 3.5Å; F149-Y153 HydrophobicContact CB-CD2 4.11Å; F149-Y153 HydrophobicContact CB-CG 4.23Å; F149-Y153 AromaticContact CD1-CD1 3.7Å; F149-Y153 HydrophobicContact CD1-CD1 3.7Å; F149-Y153 AromaticContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CD2 3.83Å; F149-Y153 HydrophobicContact CD1-CE1 4.08Å; F149-Y153 HydrophobicContact CD1-CE2 4.12Å; F149-Y153 AromaticContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CD1-CG 3.6Å; F149-Y153 HydrophobicContact CE1-CD1 4.19Å; F149-Y153 HydrophobicContact CE1-CE1 4.3Å; F149-Y153 HydrophobicContact CG-CD2 4.49Å; F149-Y153 HydrophobicContact CG-CG 4.39Å; D150-Y153 PolarHBondContact O-N 3.23Å; R151-Y153 VanDerWaalsContact C-N 3.32Å; R151-Y153 PolarHBondContact O-N 3.21Å; Y153-I157 WeakPolarHBondContact O-CD1 3.35Å; Y153-I157 VanDerWaalsContact O-CG1 3.32Å; Y153-I157 WeakPolarHBondContact O-CG1 3.04Å
154K87.6Confident87.4Confident36 Ų3654.5 Ų54.516%0.15724%0.239CC..Hα-helixtrans-87.8-24.2-173.6-68.7166.5178.1156.60113.9Y146 F149 D150 R151 F184 K187Y146-K154 VanDerWaalsContact CE2-CE 3.43Å; Y146-K154 PolarHBondContact O-NZ 2.91Å; Y146-K154 PolarHBondContact OH-NZ 3.47Å; F149-K154 WeakPolarHBondContact O-CE 3.5Å; F149-K154 PolarHBondContact O-NZ 2.72Å; D150-K154 PolarHBondContact O-N 2.82Å; R151-K154 PolarHBondContact O-N 3.43Å; K154-F184 HydrophobicContact CB-CD2 3.87Å; K154-F184 HydrophobicContact CB-CE2 4.1Å; K154-F184 HydrophobicContact CG-CD2 4.05Å; K154-F184 HydrophobicContact CG-CE2 3.99Å; K154-K187 PolarHBondContact O-NZ 3.41Å
155K86.9Confident87.6Confident132 Ų13251.7 Ų51.757%0.57423%0.225SC*.Hα-helixtrans-66-50.5-171.7-174.3-173.9173-167.10111.9R151 K187R151-K155 WeakPolarHBondContact O-CB 3.42Å; R151-K155 PolarHBondContact O-N 3.01Å; K155-K187 PolarHBondContact O-NZ 2.94Å
156N89.9Confident87.5Confident27 Ų2753.9 Ų53.914%0.14424%0.237CC..SBendtrans-95.5-3.5-168.2-62.9-22.4000114.4V118 E119 S120 D121 Y122 K158V118-N156 PolarHBondContact O-ND2 3.43Å; E119-N156 PolarHBondContact O-ND2 3.37Å; E119-N156 VanDerWaalsContact O-ND2 3.07Å; S120-N156 WeakPolarHBondContact O-CB 3.41Å; D121-N156 WeakPolarHBondContact CA-O 3.46Å; Y122-N156 HydrophobicContact CD1-CB 4.32Å; Y122-N156 HydrophobicContact CE1-CB 4.29Å; Y122-N156 PolarHBondContact N-O 3.34Å; Y122-N156 VanDerWaalsContact N-O 3.15Å; N156-K158 PolarHBondContact O-N 2.57Å
157I92.5Very high87.1Confident6 Ų658 Ų583%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-58.2124.7164.7-67.6168.8000108.3Y122 L124 Y153 F184 K187Y122-I157 HydrophobicContact CD1-CG1 4.49Å; Y122-I157 HydrophobicContact CD2-CG1 4.25Å; Y122-I157 HydrophobicContact CE1-CG1 3.8Å; Y122-I157 HydrophobicContact CE2-CD1 4.17Å; Y122-I157 HydrophobicContact CE2-CG1 3.52Å; Y122-I157 CarbonylContact O-C 3.43Å; Y122-I157 WeakPolarHBondContact O-CA 3.32Å; Y122-I157 WeakPolarHBondContact OH-CG1 3.21Å; L124-I157 HydrophobicContact CD1-CD1 3.56Å; L124-I157 HydrophobicContact CD1-CG1 4.18Å; L124-I157 HydrophobicContact CG-CD1 4.27Å; L124-I157 HydrophobicContact CG-CG1 4.36Å; Y153-I157 WeakPolarHBondContact O-CD1 3.35Å; Y153-I157 VanDerWaalsContact O-CG1 3.32Å; Y153-I157 WeakPolarHBondContact O-CG1 3.04Å; I157-F184 HydrophobicContact CB-CE2 4.33Å; I157-F184 HydrophobicContact CD1-CE2 3.71Å; I157-F184 HydrophobicContact CD1-CZ 4.14Å; I157-F184 HydrophobicContact CG2-CE2 4.37Å; I157-K187 HydrophobicContact CB-CD 4.49Å; I157-K187 HydrophobicContact CG2-CD 4.34Å; I157-K187 WeakPolarHBondContact O-CD 3.38Å; I157-K187 WeakPolarHBondContact O-CE 3.2Å; I157-K187 PolarHBondContact O-NZ 3.38Å
158K91.1Very high86.8Confident88 Ų8853.9 Ų53.938%0.38325%0.248SC..EExtended strand (participates in β ladder)trans-94.8-38.6173.3-64.5-58.2177.8-176.50112.5R85 D121 Y122 N156R85-K158 VanDerWaalsContact NH1-CB 3.27Å; D121-K158 HydrophobicContact CB-CG 4.18Å; D121-K158 WeakPolarHBondContact OD1-CE 3.46Å; D121-K158 IonicContact OD1-NZ 4Å; D121-K158 PolarHBondContact OD1-NZ 2.96Å; D121-K158 WeakPolarHBondContact OD2-CE 3.22Å; D121-K158 IonicContact OD2-NZ 2.88Å; D121-K158 PolarHBondContact OD2-NZ 3.39Å; Y122-K158 PolarHBondContact O-N 2.95Å; N156-K158 PolarHBondContact O-N 2.57Å
159A90.2Very high86.4Confident4 Ų451 Ų513%0.03324%0.235CC..EExtended strand (participates in β ladder)trans-143.6143.8175.400000110.4T123 L124 Y161 K187T123-A159 HydrophobicContact CG2-CB 4.38Å; L124-A159 PolarHBondContact N-O 3.21Å; A159-Y161 HydrophobicContact CB-CD2 4.13Å; A159-Y161 HydrophobicContact CB-CE1 4.38Å; A159-Y161 HydrophobicContact CB-CE2 3.36Å; A159-Y161 VanDerWaalsContact CB-CZ 3.48Å; A159-Y161 WeakPolarHBondContact CB-OH 3.34Å; A159-K187 WeakPolarHBondContact CA-O 3.2Å
160L92.9Very high86Confident27 Ų2751.8 Ų51.814%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-118.5104.9166.9170.960.5000107.3L124 I162 F184 K187 I188 N189L124-L160 HydrophobicContact CB-CB 4.44Å; L124-L160 HydrophobicContact CB-CD1 3.48Å; L124-L160 VanDerWaalsContact CB-CD1 3.48Å; L124-L160 HydrophobicContact CD1-CD1 4.18Å; L124-L160 HydrophobicContact CG-CD1 4.48Å; L124-L160 CarbonylContact O-C 3.58Å; L124-L160 WeakPolarHBondContact O-CA 3.49Å; L160-I162 HydrophobicContact CG-CG1 4.33Å; L160-F184 HydrophobicContact CD2-CE1 4.41Å; L160-F184 HydrophobicContact CD2-CZ 4.39Å; L160-K187 PolarHBondContact N-O 2.92Å; L160-I188 HydrophobicContact CD2-CG1 4.05Å; L160-I188 CarbonylContact O-C 3.15Å; L160-I188 WeakPolarHBondContact O-CA 3.36Å; L160-N189 PolarHBondContact O-N 2.91Å
161Y93.1Very high85.4Confident24 Ų2451.9 Ų51.99%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-89.1120.6175.8-62.4-74.5000109.7T123 L124 I125 Y126 A159 N189 I191 L197 V200T123-Y161 HydrophobicContact CG2-CD2 3.73Å; T123-Y161 HydrophobicContact CG2-CE2 3.6Å; L124-Y161 PolarHBondContact O-N 3.01Å; I125-Y161 CarbonylContact C-O 3.6Å; I125-Y161 WeakPolarHBondContact CA-O 3.45Å; I125-Y161 HydrophobicContact CG1-CD2 4.27Å; Y126-Y161 PolarHBondContact N-O 3.41Å; A159-Y161 HydrophobicContact CB-CD2 4.13Å; A159-Y161 HydrophobicContact CB-CE1 4.38Å; A159-Y161 HydrophobicContact CB-CE2 3.36Å; A159-Y161 VanDerWaalsContact CB-CZ 3.48Å; A159-Y161 WeakPolarHBondContact CB-OH 3.34Å; Y161-N189 CarbonylContact C-O 3.57Å; Y161-N189 WeakPolarHBondContact CA-O 2.9Å; Y161-N189 HydrophobicContact CD1-CB 3.53Å; Y161-N189 HydrophobicContact CE1-CB 3.62Å; Y161-I191 HydrophobicContact CD1-CD1 3.94Å; Y161-I191 HydrophobicContact CD1-CG1 3.71Å; Y161-I191 HydrophobicContact CE1-CD1 4.47Å; Y161-I191 HydrophobicContact CG-CG1 4.32Å; Y161-L197 HydrophobicContact CG-CD1 4.27Å; Y161-V200 HydrophobicContact CE1-CG1 4.08Å; Y161-V200 HydrophobicContact CE2-CG1 3.98Å; Y161-V200 VanDerWaalsContact CZ-CG1 3.43Å; Y161-V200 WeakPolarHBondContact OH-CG1 3.44Å
162I92.9Very high85Confident4 Ų442.9 Ų42.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-103.2108172.4-61.2178.4000107Y126 H128 L160 P165 I169 L173 I188 N189 Y190 I191Y126-I162 HydrophobicContact CD1-CG1 4.28Å; Y126-I162 HydrophobicContact CD1-CG2 3.99Å; H128-I162 HydrophobicContact CB-CG2 4.4Å; L160-I162 HydrophobicContact CG-CG1 4.33Å; I162-P165 HydrophobicContact CG2-CB 3.84Å; I162-I169 HydrophobicContact CG2-CG1 4.49Å; I162-I169 HydrophobicContact CG2-CG2 4.49Å; I162-L173 HydrophobicContact CD1-CD1 3.37Å; I162-I188 HydrophobicContact CD1-CG2 3.88Å; I162-I188 HydrophobicContact CG1-CG2 4.49Å; I162-N189 PolarHBondContact N-O 3.24Å; I162-Y190 HydrophobicContact CB-CD1 4.01Å; I162-Y190 HydrophobicContact CB-CE1 4.34Å; I162-Y190 HydrophobicContact CD1-CD1 4.46Å; I162-Y190 HydrophobicContact CD1-CE1 3.95Å; I162-Y190 HydrophobicContact CG2-CD1 4.33Å; I162-I191 PolarHBondContact O-N 3.31Å
163V91Very high84.5Confident0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-92.4131.2-175.1-173.90000109.8I125 Y126 F127 H128 I191 L194 L197I125-V163 HydrophobicContact CG2-CG2 3.8Å; Y126-V163 PolarHBondContact O-N 3.25Å; F127-V163 HydrophobicContact CD1-CB 3.58Å; F127-V163 HydrophobicContact CD1-CG1 3.68Å; F127-V163 HydrophobicContact CD1-CG2 3.9Å; F127-V163 HydrophobicContact CE1-CB 3.92Å; F127-V163 HydrophobicContact CE1-CG1 3.79Å; F127-V163 HydrophobicContact CE1-CG2 3.82Å; F127-V163 HydrophobicContact CG-CB 4.49Å; H128-V163 WeakPolarHBondContact CB-O 3.46Å; H128-V163 PolarHBondContact N-O 2.97Å; V163-I191 CarbonylContact C-O 3.6Å; V163-I191 WeakPolarHBondContact CA-O 2.82Å; V163-I191 HydrophobicContact CG1-CG2 4.25Å; V163-I191 HydrophobicContact CG2-CB 4.13Å; V163-I191 HydrophobicContact CG2-CG2 4.29Å; V163-L194 HydrophobicContact CG1-CD2 3.9Å; V163-L197 HydrophobicContact CG2-CD1 4.33Å; V163-L197 HydrophobicContact CG2-CD2 4.05Å
164H87.7Confident83.8Confident6 Ų645.6 Ų45.63%0.02823%0.227CC..SBendtrans54.656.4-172.7-52-46.8000113.6H128 N129 T166 I191 N192 Y215 D216 I219H128-H164 PolarHBondContact CD2-O 2.92Å; N129-H164 HydrophobicContact CB-CB 4.4Å; H164-T166 PolarHBondContact O-N 3.41Å; H164-I191 PolarHBondContact N-O 2.87Å; H164-N192 PolarHBondContact CE1-O 3Å; H164-N192 VanDerWaalsContact CE1-O 3.28Å; H164-N192 PolarHBondContact ND1-O 3.2Å; H164-Y215 HydrophobicContact CB-CD1 4.13Å; H164-Y215 HydrophobicContact CB-CE1 3.74Å; H164-Y215 AromaticContact CD2-CD1 3.79Å; H164-Y215 AromaticContact CG-CD1 3.73Å; H164-Y215 AromaticContact CG-CE1 3.75Å; H164-D216 IonicContact CE1-OD1 3.3Å; H164-D216 PolarHBondContact CE1-OD1 3.03Å; H164-D216 VanDerWaalsContact CE1-OD1 3.27Å; H164-D216 IonicContact NE2-OD1 2.7Å; H164-I219 WeakPolarHBondContact ND1-CD1 3.47Å
165P85.3Confident82.9Confident14 Ų1449.6 Ų49.69%0.09125%0.249CC..  trans-67.1124.4-177.728.6-34.3000111.6I162 I169 K170 Y190 I191I162-P165 HydrophobicContact CG2-CB 3.84Å; P165-I169 HydrophobicContact CB-CG2 3.87Å; P165-K170 HydrophobicContact CB-CG 4.23Å; P165-Y190 HydrophobicContact CB-CD1 3.75Å; P165-Y190 HydrophobicContact CB-CE1 4.28Å; P165-Y190 HydrophobicContact CG-CD1 3.83Å; P165-Y190 HydrophobicContact CG-CG 4.23Å; P165-I191 VanDerWaalsContact CD-O 3.3Å; P165-I191 WeakPolarHBondContact CD-O 3.2Å
166T79.9Confident82Confident53 Ų5344.4 Ų44.433%0.32523%0.226SC..  trans-79.6167.8169.665.40000112.3H128 H164 F168 I169 K170H128-T166 PolarHBondContact CD2-N 2.87Å; H128-T166 WeakPolarHBondContact NE2-CB 3.35Å; H128-T166 VanDerWaalsContact NE2-CG2 3.32Å; H128-T166 WeakPolarHBondContact NE2-CG2 3.47Å; H128-T166 PolarHBondContact NE2-OG1 3.08Å; H164-T166 PolarHBondContact O-N 3.41Å; T166-F168 PolarHBondContact O-N 3.46Å; T166-F168 PolarHBondContact OG1-N 3.07Å; T166-I169 VanDerWaalsContact N-CG2 3.35Å; T166-I169 VanDerWaalsContact O-CG2 3.25Å; T166-I169 WeakPolarHBondContact O-CG2 3.41Å; T166-I169 PolarHBondContact O-N 3.06Å; T166-I169 PolarHBondContact OG1-N 2.96Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.41Å; T166-K170 VanDerWaalsContact O-N 3.15Å
167I72.4Confident81.2Confident140 Ų14050.4 Ų50.472%0.71825%0.251SS*.Hα-helixtrans-56.9-38170.3-60.1173000110.5K170 T171I167-K170 PolarHBondContact O-N 3.47Å; I167-T171 WeakPolarHBondContact O-CB 3.37Å; I167-T171 PolarHBondContact O-N 3.12Å; I167-T171 PolarHBondContact O-OG1 3.01Å
168F75.3Confident80.2Confident87 Ų8755.8 Ų55.838%0.38229%0.287SS..Hα-helixtrans-57.9-53178.6171.2-102.5000112T166 K170 T171 L172T166-F168 PolarHBondContact O-N 3.46Å; T166-F168 PolarHBondContact OG1-N 3.07Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.94Å; F168-T171 PolarHBondContact O-N 3.2Å; F168-L172 HydrophobicContact CE1-CD2 4.15Å; F168-L172 HydrophobicContact CZ-CD2 4.23Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.92Å
169I77.9Confident79Confident16 Ų1655.5 Ų55.58%0.08229%0.289CS..Hα-helixtrans-68.2-33.5-178.6-170.361000112.2Y126 I162 P165 T166 L172 L173Y126-I169 HydrophobicContact CE1-CD1 4.34Å; Y126-I169 HydrophobicContact CE1-CG1 4.32Å; I162-I169 HydrophobicContact CG2-CG1 4.49Å; I162-I169 HydrophobicContact CG2-CG2 4.49Å; P165-I169 HydrophobicContact CB-CG2 3.87Å; T166-I169 VanDerWaalsContact N-CG2 3.35Å; T166-I169 VanDerWaalsContact O-CG2 3.25Å; T166-I169 WeakPolarHBondContact O-CG2 3.41Å; T166-I169 PolarHBondContact O-N 3.06Å; T166-I169 PolarHBondContact OG1-N 2.96Å; I169-L172 HydrophobicContact CD1-CD2 3.94Å; I169-L172 PolarHBondContact O-N 2.95Å; I169-L173 HydrophobicContact CG1-CD1 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.36Å
170K77.8Confident78.1Confident48 Ų4856.4 Ų56.421%0.20929%0.293CS..Hα-helixtrans-64.9-48174.6-68.8179.6-175.2-177.60111.2P165 T166 I167 F168 L172 L173 I174 Y190P165-K170 HydrophobicContact CB-CG 4.23Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.41Å; T166-K170 VanDerWaalsContact O-N 3.15Å; I167-K170 PolarHBondContact O-N 3.47Å; F168-K170 VanDerWaalsContact C-N 3.34Å; F168-K170 PolarHBondContact O-N 2.94Å; K170-L172 VanDerWaalsContact C-N 3.35Å; K170-L173 PolarHBondContact O-N 3.29Å; K170-I174 VanDerWaalsContact O-CG1 3.32Å; K170-I174 WeakPolarHBondContact O-CG1 3.35Å; K170-I174 PolarHBondContact O-N 3.42Å; K170-Y190 HydrophobicContact CG-CE1 4.27Å
171T70.8Confident77.4Confident83 Ų8358.1 Ų58.151%0.50931%0.307SS..Hα-helixtrans-63-42176.4-61.30000111.6I167 F168 L173 I174 L175I167-T171 WeakPolarHBondContact O-CB 3.37Å; I167-T171 PolarHBondContact O-N 3.12Å; I167-T171 PolarHBondContact O-OG1 3.01Å; F168-T171 PolarHBondContact O-N 3.2Å; T171-L173 PolarHBondContact O-N 3.17Å; T171-I174 WeakPolarHBondContact O-CB 3.27Å; T171-I174 PolarHBondContact O-N 3.48Å; T171-L175 PolarHBondContact O-N 2.95Å
172L74.4Confident76.5Confident13 Ų1364.1 Ų64.17%0.06833%0.334CS..Hα-helixtrans-57.5-49.5176.1-172.366.2000110.7L139 L142 F168 I169 K170 I174 L175 F176L139-L172 HydrophobicContact CD2-CD1 3.35Å; L142-L172 HydrophobicContact CD1-CD1 4.07Å; L142-L172 HydrophobicContact CD1-CD2 3.55Å; L142-L172 HydrophobicContact CD1-CG 4.36Å; F168-L172 HydrophobicContact CE1-CD2 4.15Å; F168-L172 HydrophobicContact CZ-CD2 4.23Å; F168-L172 WeakPolarHBondContact O-CB 3.48Å; F168-L172 PolarHBondContact O-N 2.92Å; I169-L172 HydrophobicContact CD1-CD2 3.94Å; I169-L172 PolarHBondContact O-N 2.95Å; K170-L172 VanDerWaalsContact C-N 3.35Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 2.96Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-F176 HydrophobicContact CD1-CD2 3.92Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.95Å; L172-F176 HydrophobicContact CG-CE2 3.96Å; L172-F176 WeakPolarHBondContact O-CD2 3.17Å; L172-F176 PolarHBondContact O-N 3.04Å
173L76.4Confident75.8Confident34 Ų3472.2 Ų72.218%0.17837%0.369CS..Hα-helixtrans-65.2-31178.6-71.2169.2000113.3I162 I169 K170 T171 F176 K177 I180 I188 Y190I162-L173 HydrophobicContact CD1-CD1 3.37Å; I169-L173 HydrophobicContact CG1-CD1 4.25Å; I169-L173 WeakPolarHBondContact O-CB 3.18Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.39Å; I169-L173 PolarHBondContact O-N 3.36Å; K170-L173 PolarHBondContact O-N 3.29Å; T171-L173 PolarHBondContact O-N 3.17Å; L173-F176 CarbonylContact O-C 3.55Å; L173-F176 PolarHBondContact O-N 3.18Å; L173-K177 PolarHBondContact O-N 3.07Å; L173-I180 HydrophobicContact CD2-CD1 4.16Å; L173-I188 HydrophobicContact CD2-CD1 4.46Å; L173-Y190 HydrophobicContact CD1-CE1 4.08Å; L173-Y190 WeakPolarHBondContact CD1-OH 3.46Å
174I73.4Confident75.3Confident116 Ų11673.2 Ų73.260%0.59537%0.373SS*.Hα-helixtrans-66.5-43.3171.8-68.2164.5000110.7K170 T171 L172 F176 K177K170-I174 VanDerWaalsContact O-CG1 3.32Å; K170-I174 WeakPolarHBondContact O-CG1 3.35Å; K170-I174 PolarHBondContact O-N 3.42Å; T171-I174 WeakPolarHBondContact O-CB 3.27Å; T171-I174 PolarHBondContact O-N 3.48Å; L172-I174 VanDerWaalsContact C-N 3.3Å; L172-I174 PolarHBondContact O-N 2.96Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 2.83Å; I174-K177 WeakPolarHBondContact O-CB 3.15Å; I174-K177 PolarHBondContact O-N 3.11Å
175L69.1Low75Confident119 Ų11974.4 Ų74.462%0.62339%0.388SS*.Hα-helixtrans-64.1-34.8177-174.964.7000111.9T171 L172 K177 P178T171-L175 PolarHBondContact O-N 2.95Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-P178 VanDerWaalsContact O-CD 3.29Å; L175-P178 WeakPolarHBondContact O-CD 3.48Å
176F68Low75Confident23 Ų2382.8 Ų82.810%0.10142%0.417CS..THydrogen-bonded Turntrans-82.3-2.6174.4-78-77.6000113.8L142 R143 L172 L173 I174 P178 L179 I180L142-F176 HydrophobicContact CB-CE2 4.31Å; L142-F176 HydrophobicContact CB-CZ 4.1Å; R143-F176 HydrophobicContact CB-CE1 3.97Å; R143-F176 HydrophobicContact CB-CZ 4.19Å; R143-F176 HydrophobicContact CG-CE1 4.36Å; L172-F176 HydrophobicContact CD1-CD2 3.92Å; L172-F176 HydrophobicContact CD1-CE2 3.51Å; L172-F176 HydrophobicContact CG-CD2 3.95Å; L172-F176 HydrophobicContact CG-CE2 3.96Å; L172-F176 WeakPolarHBondContact O-CD2 3.17Å; L172-F176 PolarHBondContact O-N 3.04Å; L173-F176 CarbonylContact O-C 3.55Å; L173-F176 PolarHBondContact O-N 3.18Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 2.83Å; F176-P178 VanDerWaalsContact C-CD 3.41Å; F176-L179 HydrophobicContact CD1-CD1 3.62Å; F176-L179 HydrophobicContact CE1-CD1 3.95Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 WeakPolarHBondContact O-CA 3.46Å; F176-L179 WeakPolarHBondContact O-CB 3.28Å; F176-L179 PolarHBondContact O-N 3.44Å; F176-I180 HydrophobicContact CB-CD1 3.97Å; F176-I180 HydrophobicContact CB-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.41Å; F176-I180 PolarHBondContact O-N 2.85Å
177K73.3Confident75.4Confident153 Ų15382.1 Ų82.167%0.66541%0.41SS*.THydrogen-bonded Turntrans-55.8-36.6-179.5-167.4179.1-178.9-178.90114.4L173 I174 L175 L179 I180L173-K177 PolarHBondContact O-N 3.07Å; I174-K177 WeakPolarHBondContact O-CB 3.15Å; I174-K177 PolarHBondContact O-N 3.11Å; L175-K177 VanDerWaalsContact C-N 3.31Å; K177-L179 PolarHBondContact O-N 2.84Å; K177-I180 PolarHBondContact O-N 2.68Å
178P70.6Confident76.1Confident119 Ų11976.8 Ų76.877%0.77338%0.383SS*.THydrogen-bonded Turntrans-65.8-26.4173.7-21.234.2000113.5L175 F176L175-P178 VanDerWaalsContact O-CD 3.29Å; L175-P178 WeakPolarHBondContact O-CD 3.48Å; F176-P178 VanDerWaalsContact C-CD 3.41Å
179L67.9Low76.7Confident82 Ų8275.7 Ų75.743%0.42938%0.381SS..THydrogen-bonded Turntrans-88.4-28.1179.5-63.6170.6000111.3Y146 F176 K177Y146-L179 HydrophobicContact CD1-CB 4.14Å; Y146-L179 HydrophobicContact CE1-CB 3.74Å; Y146-L179 VanDerWaalsContact CE1-O 3.24Å; Y146-L179 WeakPolarHBondContact CE1-O 3.38Å; Y146-L179 PolarHBondContact OH-O 3.5Å; F176-L179 HydrophobicContact CD1-CD1 3.62Å; F176-L179 HydrophobicContact CE1-CD1 3.95Å; F176-L179 CarbonylContact O-C 3.55Å; F176-L179 WeakPolarHBondContact O-CA 3.46Å; F176-L179 WeakPolarHBondContact O-CB 3.28Å; F176-L179 PolarHBondContact O-N 3.44Å; K177-L179 PolarHBondContact O-N 2.84Å
180I70.9Confident77.2Confident23 Ų2379.3 Ų79.312%0.11839%0.394CS..SBendtrans-80.6121.6177.7-64.9165.4000110.6Y146 L173 F176 K177 F182 F184Y146-I180 HydrophobicContact CE2-CG1 3.99Å; Y146-I180 WeakPolarHBondContact OH-CA 3.32Å; L173-I180 HydrophobicContact CD2-CD1 4.16Å; F176-I180 HydrophobicContact CB-CD1 3.97Å; F176-I180 HydrophobicContact CB-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.41Å; F176-I180 PolarHBondContact O-N 2.85Å; K177-I180 PolarHBondContact O-N 2.68Å; I180-F182 PolarHBondContact O-N 3.34Å; I180-F184 HydrophobicContact CG2-CB 4.17Å; I180-F184 HydrophobicContact CG2-CD1 3.77Å; I180-F184 HydrophobicContact CG2-CG 4.44Å
181S77.5Confident77.5Confident63 Ų6377.7 Ų77.744%0.44139%0.387SS..  trans-60.4142.3174.676.10000111.4K183 F184 G185S181-K183 PolarHBondContact O-N 3.46Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-F184 WeakPolarHBondContact O-CA 3.42Å; S181-F184 PolarHBondContact O-N 3.36Å; S181-F184 VanDerWaalsContact OG-CB 3.28Å; S181-F184 WeakPolarHBondContact OG-CB 3.45Å; S181-F184 PolarHBondContact OG-N 3.5Å; S181-G185 PolarHBondContact O-N 2.93Å
182F74.9Confident77.9Confident150 Ų15075.8 Ų75.866%0.65837%0.374SS*.Hα-helixtrans-51.9-39.3177.9-179-102.2000113.2I180 F184 G185 R186I180-F182 PolarHBondContact O-N 3.34Å; F182-F184 PolarHBondContact O-N 3.4Å; F182-G185 PolarHBondContact O-N 2.68Å; F182-R186 VanDerWaalsContact CE1-CZ 3.44Å; F182-R186 VanDerWaalsContact CE1-NE 3.29Å; F182-R186 VanDerWaalsContact CE1-NH2 3.27Å; F182-R186 VanDerWaalsContact CZ-NH2 3.29Å; F182-R186 PolarHBondContact O-N 2.92Å
183K77.2Confident78.5Confident174 Ų17477.4 Ų77.476%0.75738%0.38SS*.Hα-helixtrans-65.7-36176.9-68.2-177.1-179.9178.10112.6S181S181-K183 PolarHBondContact O-N 3.46Å; S181-K183 VanDerWaalsContact O-N 3.14Å
184F81.6Confident78.9Confident21 Ų2176.2 Ų76.29%0.09237%0.373CS..Hα-helixtrans-75.1-38.9177.1-171.7-93.4000111.7K154 I157 L160 I180 S181 F182 R186 K187 I188K154-F184 HydrophobicContact CB-CD2 3.87Å; K154-F184 HydrophobicContact CB-CE2 4.1Å; K154-F184 HydrophobicContact CG-CD2 4.05Å; K154-F184 HydrophobicContact CG-CE2 3.99Å; I157-F184 HydrophobicContact CB-CE2 4.33Å; I157-F184 HydrophobicContact CD1-CE2 3.71Å; I157-F184 HydrophobicContact CD1-CZ 4.14Å; I157-F184 HydrophobicContact CG2-CE2 4.37Å; L160-F184 HydrophobicContact CD2-CE1 4.41Å; L160-F184 HydrophobicContact CD2-CZ 4.39Å; I180-F184 HydrophobicContact CG2-CB 4.17Å; I180-F184 HydrophobicContact CG2-CD1 3.77Å; I180-F184 HydrophobicContact CG2-CG 4.44Å; S181-F184 WeakPolarHBondContact O-CA 3.42Å; S181-F184 PolarHBondContact O-N 3.36Å; S181-F184 VanDerWaalsContact OG-CB 3.28Å; S181-F184 WeakPolarHBondContact OG-CB 3.45Å; S181-F184 PolarHBondContact OG-N 3.5Å; F182-F184 PolarHBondContact O-N 3.4Å; F184-R186 PolarHBondContact O-N 2.92Å; F184-K187 HydrophobicContact CD2-CD 4.07Å; F184-K187 VanDerWaalsContact O-CB 3.28Å; F184-K187 WeakPolarHBondContact O-CB 3.41Å; F184-K187 PolarHBondContact O-N 3.48Å; F184-I188 HydrophobicContact CE1-CD1 4.47Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å
185G80.8Confident79.5Confident32 Ų3272.8 Ų72.833%0.3336%0.36SS..Hα-helixtrans-55.7-36.2176.800000113.2S181 F182 K187 I188S181-G185 PolarHBondContact O-N 2.93Å; F182-G185 PolarHBondContact O-N 2.68Å; G185-K187 PolarHBondContact O-N 3.17Å; G185-I188 PolarHBondContact O-N 2.96Å
186R84.3Confident80.2Confident189 Ų18970 Ų7071%0.71334%0.343SS*.THydrogen-bonded Turntrans-65.7-12.3174.9-70.4-175.2177-166.5-4.9114.9F182 F184F182-R186 VanDerWaalsContact CE1-CZ 3.44Å; F182-R186 VanDerWaalsContact CE1-NE 3.29Å; F182-R186 VanDerWaalsContact CE1-NH2 3.27Å; F182-R186 VanDerWaalsContact CZ-NH2 3.29Å; F182-R186 PolarHBondContact O-N 2.92Å; F184-R186 PolarHBondContact O-N 2.92Å
187K88.4Confident81Confident40 Ų4068.9 Ų68.917%0.17434%0.339CS..THydrogen-bonded Turntrans-91.7-11.2179.2-55173.5175-165.90112.4K154 K155 I157 A159 L160 F184 G185 N189K154-K187 PolarHBondContact O-NZ 3.41Å; K155-K187 PolarHBondContact O-NZ 2.94Å; I157-K187 HydrophobicContact CB-CD 4.49Å; I157-K187 HydrophobicContact CG2-CD 4.34Å; I157-K187 WeakPolarHBondContact O-CD 3.38Å; I157-K187 WeakPolarHBondContact O-CE 3.2Å; I157-K187 PolarHBondContact O-NZ 3.38Å; A159-K187 WeakPolarHBondContact CA-O 3.2Å; L160-K187 PolarHBondContact N-O 2.92Å; F184-K187 HydrophobicContact CD2-CD 4.07Å; F184-K187 VanDerWaalsContact O-CB 3.28Å; F184-K187 WeakPolarHBondContact O-CB 3.41Å; F184-K187 PolarHBondContact O-N 3.48Å; G185-K187 PolarHBondContact O-N 3.17Å; K187-N189 PolarHBondContact O-ND2 3.23Å
188I88.3Confident81.5Confident28 Ų2866.7 Ų66.714%0.14433%0.331CS..EExtended strand (participates in β ladder)trans-82.6121.9-178.4-57.7176.8000108.6L160 I162 L173 F184 G185 Y190L160-I188 HydrophobicContact CD2-CG1 4.05Å; L160-I188 CarbonylContact O-C 3.15Å; L160-I188 WeakPolarHBondContact O-CA 3.36Å; I162-I188 HydrophobicContact CD1-CG2 3.88Å; I162-I188 HydrophobicContact CG1-CG2 4.49Å; L173-I188 HydrophobicContact CD2-CD1 4.46Å; F184-I188 HydrophobicContact CE1-CD1 4.47Å; F184-I188 HydrophobicContact CE1-CG1 4.49Å; G185-I188 PolarHBondContact O-N 2.96Å; I188-Y190 HydrophobicContact CG2-CE1 4.21Å
189N87Confident81.7Confident63 Ų6367.4 Ų67.434%0.33733%0.328SS..EExtended strand (participates in β ladder)trans-121.3130.6178.6-63.2-79000108.8L160 Y161 I162 K187L160-N189 PolarHBondContact O-N 2.91Å; Y161-N189 CarbonylContact C-O 3.57Å; Y161-N189 WeakPolarHBondContact CA-O 2.9Å; Y161-N189 HydrophobicContact CD1-CB 3.53Å; Y161-N189 HydrophobicContact CE1-CB 3.62Å; I162-N189 PolarHBondContact N-O 3.24Å; K187-N189 PolarHBondContact O-ND2 3.23Å
190Y87.9Confident81.9Confident93 Ų9365.4 Ų65.437%0.36532%0.319SS..EExtended strand (participates in β ladder)trans-94.9126.3176.5-66.3-59.2000109.2I162 P165 K170 L173 I188I162-Y190 HydrophobicContact CB-CD1 4.01Å; I162-Y190 HydrophobicContact CB-CE1 4.34Å; I162-Y190 HydrophobicContact CD1-CD1 4.46Å; I162-Y190 HydrophobicContact CD1-CE1 3.95Å; I162-Y190 HydrophobicContact CG2-CD1 4.33Å; P165-Y190 HydrophobicContact CB-CD1 3.75Å; P165-Y190 HydrophobicContact CB-CE1 4.28Å; P165-Y190 HydrophobicContact CG-CD1 3.83Å; P165-Y190 HydrophobicContact CG-CG 4.23Å; K170-Y190 HydrophobicContact CG-CE1 4.27Å; L173-Y190 HydrophobicContact CD1-CE1 4.08Å; L173-Y190 WeakPolarHBondContact CD1-OH 3.46Å; I188-Y190 HydrophobicContact CG2-CE1 4.21Å
191I84.1Confident82.3Confident13 Ų1364.3 Ų64.37%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-115.4114.5179.5-63.3-61.2000107.7Y161 I162 V163 H164 P165 Y193 E196 L197Y161-I191 HydrophobicContact CD1-CD1 3.94Å; Y161-I191 HydrophobicContact CD1-CG1 3.71Å; Y161-I191 HydrophobicContact CE1-CD1 4.47Å; Y161-I191 HydrophobicContact CG-CG1 4.32Å; I162-I191 PolarHBondContact O-N 3.31Å; V163-I191 CarbonylContact C-O 3.6Å; V163-I191 WeakPolarHBondContact CA-O 2.82Å; V163-I191 HydrophobicContact CG1-CG2 4.25Å; V163-I191 HydrophobicContact CG2-CB 4.13Å; V163-I191 HydrophobicContact CG2-CG2 4.29Å; H164-I191 PolarHBondContact N-O 2.87Å; P165-I191 VanDerWaalsContact CD-O 3.3Å; P165-I191 WeakPolarHBondContact CD-O 3.2Å; I191-Y193 WeakPolarHBondContact CG2-O 3.49Å; I191-E196 HydrophobicContact CD1-CB 4.15Å; I191-E196 HydrophobicContact CG2-CB 4.02Å; I191-L197 HydrophobicContact CG1-CD1 4.47Å; I191-L197 HydrophobicContact CG2-CB 4.11Å
192N80.8Confident82.2Confident43 Ų4366.4 Ų66.423%0.2332%0.315CS..SBendtrans-84.9-29.8-177-60.9-58.6000111.3H164 E196 I219H164-N192 PolarHBondContact CE1-O 3Å; H164-N192 VanDerWaalsContact CE1-O 3.28Å; H164-N192 PolarHBondContact ND1-O 3.2Å; N192-E196 PolarHBondContact N-OE2 3.22Å; N192-I219 VanDerWaalsContact O-CD1 3.23Å; N192-I219 WeakPolarHBondContact O-CD1 3.41Å
193Y85.6Confident81.8Confident48 Ų4859.7 Ų59.719%0.18829%0.286CS..SBendtrans-132149-176.7-45.9-70000112.2I191 S195 E196 D216 I219 R220 L223I191-Y193 WeakPolarHBondContact CG2-O 3.49Å; Y193-S195 PolarHBondContact O-N 3.24Å; Y193-E196 HydrophobicContact CD2-CG 4.32Å; Y193-E196 WeakPolarHBondContact CD2-OE1 3.32Å; Y193-E196 WeakPolarHBondContact O-CB 3.12Å; Y193-E196 PolarHBondContact O-N 3.03Å; Y193-E196 VanDerWaalsContact O-N 3.11Å; Y193-D216 WeakPolarHBondContact CA-OD1 3.17Å; Y193-I219 HydrophobicContact CD1-CD1 3.64Å; Y193-I219 HydrophobicContact CD1-CG1 3.98Å; Y193-I219 HydrophobicContact CE1-CD1 3.84Å; Y193-I219 HydrophobicContact CE1-CG1 4.04Å; Y193-R220 HydrophobicContact CD1-CG 4.1Å; Y193-L223 HydrophobicContact CD1-CD1 4.37Å; Y193-L223 HydrophobicContact CE1-CD1 3.22Å; Y193-L223 WeakPolarHBondContact OH-CD1 3.36Å
194L86.3Confident81.3Confident8 Ų859.4 Ų59.44%0.04229%0.288CS..Hα-helixtrans-61.2-28.7177.9-65.1178.8000113.7F127 V163 E196 L197 E198 I208 V212 R213 D216F127-L194 HydrophobicContact CD1-CD2 4.5Å; F127-L194 HydrophobicContact CE1-CD2 3.72Å; V163-L194 HydrophobicContact CG1-CD2 3.9Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.03Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 WeakPolarHBondContact O-CA 3.28Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.91Å; L194-E198 PolarHBondContact O-N 3.07Å; L194-I208 HydrophobicContact CD1-CD1 4.45Å; L194-I208 HydrophobicContact CD1-CG2 4.04Å; L194-I208 HydrophobicContact CD2-CD1 4.24Å; L194-I208 HydrophobicContact CD2-CG2 4.27Å; L194-V212 HydrophobicContact CD1-CG1 4.42Å; L194-V212 HydrophobicContact CD2-CG1 4.1Å; L194-R213 HydrophobicContact CD1-CG 4.08Å; L194-D216 WeakPolarHBondContact CB-OD2 3.2Å; L194-D216 HydrophobicContact CD1-CB 3.74Å; L194-D216 HydrophobicContact CG-CB 3.81Å; L194-D216 PolarHBondContact N-OD1 2.67Å
195S84.9Confident80.8Confident44 Ų4462.5 Ų62.531%0.30830%0.302SS..Hα-helixtrans-62.9-35.5175.254.30000112.5Y193 L197 E198 R220Y193-S195 PolarHBondContact O-N 3.24Å; S195-L197 PolarHBondContact O-N 3.21Å; S195-E198 WeakPolarHBondContact O-CB 3.09Å; S195-E198 PolarHBondContact O-N 2.76Å; S195-R220 PolarHBondContact OG-NH2 3.12Å
196E83.1Confident80.7Confident60 Ų6061.3 Ų61.328%0.2829%0.288SS..Hα-helixtrans-71.3-25.3173.8-60.2171.6173.100111.2I191 N192 Y193 L194I191-E196 HydrophobicContact CD1-CB 4.15Å; I191-E196 HydrophobicContact CG2-CB 4.02Å; N192-E196 PolarHBondContact N-OE2 3.22Å; Y193-E196 HydrophobicContact CD2-CG 4.32Å; Y193-E196 WeakPolarHBondContact CD2-OE1 3.32Å; Y193-E196 WeakPolarHBondContact O-CB 3.12Å; Y193-E196 PolarHBondContact O-N 3.03Å; Y193-E196 VanDerWaalsContact O-N 3.11Å; L194-E196 VanDerWaalsContact C-N 3.32Å; L194-E196 PolarHBondContact O-N 3.03Å
197L85Confident80.4Confident0 Ų056.5 Ų56.50%028%0.28CS..Hα-helixtrans-73.7-37.8174-167.863.3000111.1I125 F127 Y161 V163 I191 L194 S195 D199 V200 V201 L206I125-L197 HydrophobicContact CD1-CD1 4.19Å; I125-L197 HydrophobicContact CD1-CD2 4.44Å; I125-L197 HydrophobicContact CG2-CD2 4.32Å; F127-L197 HydrophobicContact CE1-CD2 3.93Å; F127-L197 HydrophobicContact CZ-CD2 3.81Å; Y161-L197 HydrophobicContact CG-CD1 4.27Å; V163-L197 HydrophobicContact CG2-CD1 4.33Å; V163-L197 HydrophobicContact CG2-CD2 4.05Å; I191-L197 HydrophobicContact CG1-CD1 4.47Å; I191-L197 HydrophobicContact CG2-CB 4.11Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 WeakPolarHBondContact O-CA 3.28Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.91Å; S195-L197 PolarHBondContact O-N 3.21Å; L197-D199 PolarHBondContact O-N 2.88Å; L197-V200 PolarHBondContact O-N 2.88Å; L197-V201 PolarHBondContact O-N 3.22Å; L197-L206 HydrophobicContact CD2-CD1 3.91Å; L197-L206 HydrophobicContact CG-CD1 4.44Å
198E83.7Confident80.2Confident108 Ų10855.2 Ų55.251%0.50528%0.275SS..Hα-helixtrans-58.5-33.8178.2-73.1173.6-17600112.4L194 S195 V200 V201 C203L194-E198 PolarHBondContact O-N 3.07Å; S195-E198 WeakPolarHBondContact O-CB 3.09Å; S195-E198 PolarHBondContact O-N 2.76Å; E198-V200 PolarHBondContact O-N 2.75Å; E198-V201 WeakPolarHBondContact CA-O 2.98Å; E198-C203 HydrophobicContact CG-CB 3.71Å; E198-C203 WeakPolarHBondContact CG-SG 3.4Å
199D76.4Confident80Confident133 Ų13354.5 Ų54.571%0.71127%0.272SS*.THydrogen-bonded Turntrans-63.6-21.9175.8-68.4-29.6000112.9L197L197-D199 PolarHBondContact O-N 2.88Å
200V71.4Confident80Confident40 Ų4056.2 Ų56.224%0.24229%0.285CS..THydrogen-bonded Turntrans-117.4-28.1-168.7-166.10000113.1N82 Y161 L197 E198N82-V200 PolarHBondContact ND2-O 3.15Å; Y161-V200 HydrophobicContact CE1-CG1 4.08Å; Y161-V200 HydrophobicContact CE2-CG1 3.98Å; Y161-V200 VanDerWaalsContact CZ-CG1 3.43Å; Y161-V200 WeakPolarHBondContact OH-CG1 3.44Å; L197-V200 PolarHBondContact O-N 2.88Å; E198-V200 PolarHBondContact O-N 2.75Å
201V78.8Confident79.6Confident1 Ų160.1 Ų60.11%0.00630%0.299CS..SBendtrans-138.6137179.5-175.10000108.9D81 V87 I125 L197 E198 C203 L206D81-V201 HydrophobicContact CB-CG2 4.42Å; V87-V201 HydrophobicContact CG2-CG1 4.2Å; I125-V201 HydrophobicContact CD1-CB 4.44Å; I125-V201 HydrophobicContact CD1-CG1 4.27Å; I125-V201 HydrophobicContact CD1-CG2 4.09Å; L197-V201 PolarHBondContact O-N 3.22Å; E198-V201 WeakPolarHBondContact CA-O 2.98Å; V201-C203 PolarHBondContact O-N 2.91Å; V201-L206 HydrophobicContact CB-CD1 4.29Å; V201-L206 HydrophobicContact CG1-CD1 3.81Å; V201-L206 HydrophobicContact CG1-CD2 4.35Å; V201-L206 HydrophobicContact CG1-CG 4.14Å
202K74.9Confident79.7Confident106 Ų10659.5 Ų59.546%0.46130%0.296SS..  trans-65.695.9174.9-65.5178.5-177.4176.30109.9N82 E204 Q205N82-K202 WeakPolarHBondContact OD1-CG 3.46Å; K202-E204 PolarHBondContact O-N 2.71Å; K202-E204 VanDerWaalsContact O-N 3.11Å; K202-Q205 HydrophobicContact CB-CG 4.19Å; K202-Q205 WeakPolarHBondContact O-CB 3.43Å; K202-Q205 PolarHBondContact O-N 2.86Å
203C68.1Low80.1Confident9 Ų963 Ų636%0.06131%0.306CS..G310 helixtrans-63-16.4-177.2-73.60000113.5E198 V201 Q205 L206 I208E198-C203 HydrophobicContact CG-CB 3.71Å; E198-C203 WeakPolarHBondContact CG-SG 3.4Å; V201-C203 PolarHBondContact O-N 2.91Å; C203-Q205 PolarHBondContact O-N 2.69Å; C203-L206 PolarHBondContact O-N 3.06Å; C203-I208 HydrophobicContact CB-CD1 4.14Å
204E65.9Low80.1Confident168 Ų16864.9 Ų64.979%0.78532%0.319SS*.G310 helixtrans-64.2-22171.7-5578.8-169.500112.6K202K202-E204 PolarHBondContact O-N 2.71Å; K202-E204 VanDerWaalsContact O-N 3.11Å
205Q70.7Confident79.9Confident86 Ų8668.4 Ų68.440%0.40233%0.332SS..G310 helixtrans-91.5-12.5175.5-55.2-174.9-0.900112.5D80 K202 C203D80-Q205 PolarHBondContact O-OE1 3.39Å; D80-Q205 VanDerWaalsContact O-OE1 3.1Å; K202-Q205 HydrophobicContact CB-CG 4.19Å; K202-Q205 WeakPolarHBondContact O-CB 3.43Å; K202-Q205 PolarHBondContact O-N 2.86Å; C203-Q205 PolarHBondContact O-N 2.69Å
206L78.6Confident80Confident7 Ų766.5 Ų66.54%0.03732%0.319CS..SBendtrans-92.3123.3-179.7-64.7172.3000110.6A78 V87 V89 I125 L197 V201 C203 I208A78-L206 HydrophobicContact CB-CD2 3.46Å; A78-L206 VanDerWaalsContact CB-CD2 3.46Å; V87-L206 HydrophobicContact CG1-CD2 4.04Å; V89-L206 HydrophobicContact CG2-CD2 3.55Å; I125-L206 HydrophobicContact CD1-CD1 3.85Å; I125-L206 HydrophobicContact CD1-CD2 3.84Å; L197-L206 HydrophobicContact CD2-CD1 3.91Å; L197-L206 HydrophobicContact CG-CD1 4.44Å; V201-L206 HydrophobicContact CB-CD1 4.29Å; V201-L206 HydrophobicContact CG1-CD1 3.81Å; V201-L206 HydrophobicContact CG1-CD2 4.35Å; V201-L206 HydrophobicContact CG1-CG 4.14Å; C203-L206 PolarHBondContact O-N 3.06Å; L206-I208 HydrophobicContact CB-CD1 4.28Å; L206-I208 HydrophobicContact CB-CG1 3.73Å; L206-I208 PolarHBondContact O-N 2.78Å
207V77.9Confident80.1Confident89 Ų8969.7 Ų69.754%0.53933%0.334SS..  trans-77.975.7167.2-173.40000108.8P209V207-P209 VanDerWaalsContact O-CD 3.31Å; V207-P209 WeakPolarHBondContact O-CD 3.29Å
208I84.2Confident80.1Confident12 Ų1277.1 Ų77.16%0.06237%0.366CS..  trans-73.3118.8178.8-53.5176.4000109F127 L194 C203 L206 V212 R213F127-I208 HydrophobicContact CE1-CG2 4.23Å; F127-I208 HydrophobicContact CZ-CD1 4.4Å; F127-I208 HydrophobicContact CZ-CG1 3.95Å; F127-I208 HydrophobicContact CZ-CG2 4.22Å; L194-I208 HydrophobicContact CD1-CD1 4.45Å; L194-I208 HydrophobicContact CD1-CG2 4.04Å; L194-I208 HydrophobicContact CD2-CD1 4.24Å; L194-I208 HydrophobicContact CD2-CG2 4.27Å; C203-I208 HydrophobicContact CB-CD1 4.14Å; L206-I208 HydrophobicContact CB-CD1 4.28Å; L206-I208 HydrophobicContact CB-CG1 3.73Å; L206-I208 PolarHBondContact O-N 2.78Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 3.86Å; I208-R213 HydrophobicContact CB-CG 4.47Å; I208-R213 HydrophobicContact CG2-CG 3.97Å; I208-R213 PolarHBondContact O-NE 3.06Å
209P85.7Confident79.8Confident14 Ų1473.4 Ų73.49%0.09135%0.349CS..  trans-59.4143.4-178.5-24.334.4000112.8N91 V207 R211 V212 R213N91-P209 HydrophobicContact CB-CG 4.46Å; N91-P209 WeakPolarHBondContact OD1-CD 3.46Å; N91-P209 WeakPolarHBondContact OD1-CG 3.38Å; V207-P209 VanDerWaalsContact O-CD 3.31Å; V207-P209 WeakPolarHBondContact O-CD 3.29Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.18Å; P209-V212 HydrophobicContact CB-CG2 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.27Å; P209-V212 WeakPolarHBondContact O-CA 3.21Å; P209-V212 WeakPolarHBondContact O-CB 3.45Å; P209-V212 PolarHBondContact O-N 3.25Å; P209-R213 PolarHBondContact O-N 3.14Å
210T85.1Confident79.9Confident98 Ų9871.1 Ų71.160%0.60133%0.331SS*.Hα-helixtrans-53.1-43179.4-43.90000112V212 R213 D214T210-V212 PolarHBondContact O-N 2.95Å; T210-V212 VanDerWaalsContact O-N 3.1Å; T210-R213 CarbonylContact O-C 3.52Å; T210-R213 WeakPolarHBondContact O-CA 3.49Å; T210-R213 WeakPolarHBondContact O-CB 3.47Å; T210-R213 PolarHBondContact O-N 3.13Å; T210-D214 PolarHBondContact O-N 2.81Å
211R81.5Confident79.9Confident176 Ų17672.4 Ų72.466%0.66435%0.345SS*.Hα-helixtrans-56.1-31.1175.6-71.5-173.5173.9179.1-3.2114.2N129 P209 Y215N129-R211 PolarHBondContact ND2-O 2.9Å; N129-R211 VanDerWaalsContact ND2-O 3.07Å; P209-R211 VanDerWaalsContact C-N 3.26Å; P209-R211 PolarHBondContact O-N 3.18Å; R211-Y215 VanDerWaalsContact O-CB 3.31Å; R211-Y215 WeakPolarHBondContact O-CB 3.47Å; R211-Y215 PolarHBondContact O-N 3.16Å
212V86.1Confident79.1Confident0 Ų077 Ų770%038%0.378CS..Hα-helixtrans-76.5-42.2176.41780000109.7F127 L194 I208 P209 T210 Y215 D216F127-V212 HydrophobicContact CB-CG2 4.2Å; F127-V212 HydrophobicContact CD1-CG1 3.63Å; F127-V212 HydrophobicContact CD1-CG2 4.49Å; F127-V212 HydrophobicContact CE1-CG1 4.07Å; F127-V212 HydrophobicContact CG-CG1 4.37Å; F127-V212 HydrophobicContact CG-CG2 4.45Å; L194-V212 HydrophobicContact CD1-CG1 4.42Å; L194-V212 HydrophobicContact CD2-CG1 4.1Å; I208-V212 HydrophobicContact CG2-CB 3.95Å; I208-V212 HydrophobicContact CG2-CG1 3.86Å; P209-V212 HydrophobicContact CB-CG2 4.18Å; P209-V212 HydrophobicContact CG-CG2 4.27Å; P209-V212 WeakPolarHBondContact O-CA 3.21Å; P209-V212 WeakPolarHBondContact O-CB 3.45Å; P209-V212 PolarHBondContact O-N 3.25Å; T210-V212 PolarHBondContact O-N 2.95Å; T210-V212 VanDerWaalsContact O-N 3.1Å; V212-Y215 PolarHBondContact O-N 3.35Å; V212-D216 WeakPolarHBondContact O-CB 3.21Å; V212-D216 PolarHBondContact O-N 3.23Å
213R88Confident78Confident117 Ų11776 Ų7644%0.44238%0.377SS..Hα-helixtrans-62.6-47.3175.3-63.3177.4176.7-109.8-2.1112L194 I208 P209 T210 Y215 D216 E217L194-R213 HydrophobicContact CD1-CG 4.08Å; I208-R213 HydrophobicContact CB-CG 4.47Å; I208-R213 HydrophobicContact CG2-CG 3.97Å; I208-R213 PolarHBondContact O-NE 3.06Å; P209-R213 PolarHBondContact O-N 3.14Å; T210-R213 CarbonylContact O-C 3.52Å; T210-R213 WeakPolarHBondContact O-CA 3.49Å; T210-R213 WeakPolarHBondContact O-CB 3.47Å; T210-R213 PolarHBondContact O-N 3.13Å; R213-Y215 VanDerWaalsContact C-N 3.25Å; R213-Y215 PolarHBondContact O-N 2.8Å; R213-D216 WeakPolarHBondContact O-CB 3.21Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.15Å; R213-E217 WeakPolarHBondContact O-CG 3.27Å; R213-E217 PolarHBondContact O-N 3.16Å
214D86.1Confident76.8Confident86 Ų8683.5 Ų83.546%0.4641%0.409SS..Hα-helixtrans-60.6-38.7177.6-58.2-21.4000111.3T210 K218T210-D214 PolarHBondContact O-N 2.81Å; D214-K218 VanDerWaalsContact O-CB 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.3Å; D214-K218 PolarHBondContact O-N 3.01Å
215Y82.8Confident75.4Confident83 Ų8381.1 Ų81.133%0.32541%0.407SS..Hα-helixtrans-67.7-45175.7-178.1-93.2000111.7N129 H164 R211 V212 R213 E217 K218 I219N129-Y215 HydrophobicContact CB-CD1 4.24Å; N129-Y215 HydrophobicContact CB-CG 4.36Å; N129-Y215 VanDerWaalsContact ND2-CB 3.28Å; N129-Y215 WeakPolarHBondContact ND2-CB 3.32Å; N129-Y215 WeakPolarHBondContact OD1-CD2 3.23Å; H164-Y215 HydrophobicContact CB-CD1 4.13Å; H164-Y215 HydrophobicContact CB-CE1 3.74Å; H164-Y215 AromaticContact CD2-CD1 3.79Å; H164-Y215 AromaticContact CG-CD1 3.73Å; H164-Y215 AromaticContact CG-CE1 3.75Å; R211-Y215 VanDerWaalsContact O-CB 3.31Å; R211-Y215 WeakPolarHBondContact O-CB 3.47Å; R211-Y215 PolarHBondContact O-N 3.16Å; V212-Y215 PolarHBondContact O-N 3.35Å; R213-Y215 VanDerWaalsContact C-N 3.25Å; R213-Y215 PolarHBondContact O-N 2.8Å; Y215-E217 VanDerWaalsContact C-N 3.33Å; Y215-E217 PolarHBondContact O-N 2.97Å; Y215-K218 WeakPolarHBondContact O-CB 3.23Å; Y215-K218 PolarHBondContact O-N 3.35Å; Y215-I219 HydrophobicContact CD1-CD1 4.36Å; Y215-I219 HydrophobicContact CD1-CG2 4.2Å; Y215-I219 HydrophobicContact CE1-CD1 4.15Å; Y215-I219 HydrophobicContact CE1-CG2 3.69Å; Y215-I219 HydrophobicContact CE2-CG2 4.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 3.48Å
216D86.3Confident73.6Confident4 Ų480.5 Ų80.52%0.02141%0.413CS..Hα-helixtrans-58.8-42.7174.6-174.166.1000111.9H164 Y193 L194 V212 R213 I219 R220H164-D216 IonicContact CE1-OD1 3.3Å; H164-D216 PolarHBondContact CE1-OD1 3.03Å; H164-D216 VanDerWaalsContact CE1-OD1 3.27Å; H164-D216 IonicContact NE2-OD1 2.7Å; Y193-D216 WeakPolarHBondContact CA-OD1 3.17Å; L194-D216 WeakPolarHBondContact CB-OD2 3.2Å; L194-D216 HydrophobicContact CD1-CB 3.74Å; L194-D216 HydrophobicContact CG-CB 3.81Å; L194-D216 PolarHBondContact N-OD1 2.67Å; V212-D216 WeakPolarHBondContact O-CB 3.21Å; V212-D216 PolarHBondContact O-N 3.23Å; R213-D216 WeakPolarHBondContact O-CB 3.21Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.15Å; D216-I219 WeakPolarHBondContact O-CG1 3.4Å; D216-I219 PolarHBondContact O-N 3.19Å; D216-R220 WeakPolarHBondContact O-CB 3.39Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.24Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NH2 2.87Å; D216-R220 PolarHBondContact OD1-NH2 3.06Å; D216-R220 IonicContact OD2-CZ 2.85Å; D216-R220 IonicContact OD2-NE 3.67Å; D216-R220 IonicContact OD2-NH1 2.8Å; D216-R220 PolarHBondContact OD2-NH1 3.35Å; D216-R220 IonicContact OD2-NH2 2.76Å; D216-R220 PolarHBondContact OD2-NH2 3.21Å
217E86.1Confident71.9Confident126 Ų12687 Ų8759%0.58945%0.452SS*.Hα-helixtrans-65-40.9173.5-75.1-176.9-172.400112R213 Y215 R220 A221R213-E217 WeakPolarHBondContact O-CG 3.27Å; R213-E217 PolarHBondContact O-N 3.16Å; Y215-E217 VanDerWaalsContact C-N 3.33Å; Y215-E217 PolarHBondContact O-N 2.97Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.35Å
218K83.7Confident70Confident157 Ų15791 Ų9168%0.68347%0.465SS*.Hα-helixtrans-63.6-44.8177.3-174.4177.7-178.7177.80111.8D214 Y215 A221 S222D214-K218 VanDerWaalsContact O-CB 3.28Å; D214-K218 WeakPolarHBondContact O-CB 3.3Å; D214-K218 PolarHBondContact O-N 3.01Å; Y215-K218 WeakPolarHBondContact O-CB 3.23Å; Y215-K218 PolarHBondContact O-N 3.35Å; K218-A221 PolarHBondContact O-N 3.35Å; K218-S222 PolarHBondContact O-N 2.99Å; K218-S222 PolarHBondContact O-OG 2.86Å
219I77.8Confident67.6Low30 Ų3093.7 Ų93.715%0.15449%0.489CS..Hα-helixtrans-66.9-40.817664.4-179.3000110.5H164 N192 Y193 Y215 D216 S222 L223H164-I219 WeakPolarHBondContact ND1-CD1 3.47Å; N192-I219 VanDerWaalsContact O-CD1 3.23Å; N192-I219 WeakPolarHBondContact O-CD1 3.41Å; Y193-I219 HydrophobicContact CD1-CD1 3.64Å; Y193-I219 HydrophobicContact CD1-CG1 3.98Å; Y193-I219 HydrophobicContact CE1-CD1 3.84Å; Y193-I219 HydrophobicContact CE1-CG1 4.04Å; Y215-I219 HydrophobicContact CD1-CD1 4.36Å; Y215-I219 HydrophobicContact CD1-CG2 4.2Å; Y215-I219 HydrophobicContact CE1-CD1 4.15Å; Y215-I219 HydrophobicContact CE1-CG2 3.69Å; Y215-I219 HydrophobicContact CE2-CG2 4.29Å; Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 3.48Å; D216-I219 WeakPolarHBondContact O-CG1 3.4Å; D216-I219 PolarHBondContact O-N 3.19Å; I219-S222 WeakPolarHBondContact CA-OG 3.33Å; I219-S222 PolarHBondContact O-N 3.19Å; I219-S222 PolarHBondContact O-OG 3.42Å; I219-L223 WeakPolarHBondContact O-CD1 3.42Å; I219-L223 VanDerWaalsContact O-CG 3.22Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.99Å
220R77.5Confident65Low84 Ų84101.5 Ų101.532%0.31752%0.524SS..Hα-helixtrans-67.2-37.7175.4-78.1-168.1-173.7130.426.7113.4Y193 S195 D216 E217 S222 L223 K224Y193-R220 HydrophobicContact CD1-CG 4.1Å; S195-R220 PolarHBondContact OG-NH2 3.12Å; D216-R220 WeakPolarHBondContact O-CB 3.39Å; D216-R220 WeakPolarHBondContact O-CG 3.42Å; D216-R220 PolarHBondContact O-N 3.24Å; D216-R220 IonicContact OD1-CZ 3.91Å; D216-R220 IonicContact OD1-NH2 2.87Å; D216-R220 PolarHBondContact OD1-NH2 3.06Å; D216-R220 IonicContact OD2-CZ 2.85Å; D216-R220 IonicContact OD2-NE 3.67Å; D216-R220 IonicContact OD2-NH1 2.8Å; D216-R220 PolarHBondContact OD2-NH1 3.35Å; D216-R220 IonicContact OD2-NH2 2.76Å; D216-R220 PolarHBondContact OD2-NH2 3.21Å; E217-R220 PolarHBondContact O-N 3.08Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.37Å; R220-L223 CarbonylContact O-C 3.5Å; R220-L223 WeakPolarHBondContact O-CA 3.39Å; R220-L223 PolarHBondContact O-N 3.47Å; R220-K224 PolarHBondContact O-N 3.49Å
221A71.6Confident62.4Low67 Ų67104.5 Ų104.555%0.55453%0.533SS*.Hα-helixtrans-64.8-34.2175.200000110.9E217 K218 L223E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.35Å; K218-A221 PolarHBondContact O-N 3.35Å; A221-L223 PolarHBondContact O-N 3.49Å
222S62.3Low59.8Low98 Ų98101.2 Ų101.269%0.68554%0.538SS*.THydrogen-bonded Turntrans-71.5-10.6170.2690000114.4K218 I219 R220K218-S222 PolarHBondContact O-N 2.99Å; K218-S222 PolarHBondContact O-OG 2.86Å; I219-S222 WeakPolarHBondContact CA-OG 3.33Å; I219-S222 PolarHBondContact O-N 3.19Å; I219-S222 PolarHBondContact O-OG 3.42Å; R220-S222 VanDerWaalsContact C-N 3.25Å; R220-S222 PolarHBondContact O-N 3.37Å
223L51.3Low57.3Low84 Ų84106.1 Ų106.144%0.4457%0.569SS.*THydrogen-bonded Turntrans-113.1-11.9-177.9-68.9160000114.2Y193 I219 R220 A221 P225Y193-L223 HydrophobicContact CD1-CD1 4.37Å; Y193-L223 HydrophobicContact CE1-CD1 3.22Å; Y193-L223 WeakPolarHBondContact OH-CD1 3.36Å; I219-L223 WeakPolarHBondContact O-CD1 3.42Å; I219-L223 VanDerWaalsContact O-CG 3.22Å; I219-L223 WeakPolarHBondContact O-CG 3.38Å; I219-L223 PolarHBondContact O-N 2.99Å; R220-L223 CarbonylContact O-C 3.5Å; R220-L223 WeakPolarHBondContact O-CA 3.39Å; R220-L223 PolarHBondContact O-N 3.47Å; A221-L223 PolarHBondContact O-N 3.49Å; L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 VanDerWaalsContact O-N 3.12Å
224K42.7Very low54.8Low168 Ų168103.7 Ų103.773%0.7357%0.569SS**SBendtrans-54.8123.3172.9-89.4-174.4177.61780107.2R220 S226R220-K224 PolarHBondContact O-N 3.49Å; K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 2.85Å
225P37.9Very low52.8Low117 Ų117112.3 Ų112.376%0.7660%0.595SS**  trans-63.4104.9171.925-28.8000105.6L223 V227L223-P225 WeakPolarHBondContact O-CD 3.42Å; L223-P225 VanDerWaalsContact O-N 3.12Å; P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 3.38Å
226S33.1Very low50.9Low73 Ų73112.4 Ų112.451%0.5161%0.608SS.*  trans-52.3107.2160.8490000106.3K224 Q228 A229K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 2.85Å; S226-Q228 PolarHBondContact O-N 2.88Å; S226-A229 PolarHBondContact O-N 3.38Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.04Å
227V42.1Very low49.3Very low143 Ų143117.5 Ų117.587%0.86764%0.641SS**THydrogen-bonded Turntrans-52.7103.5154.8-178.10000104.1P225P225-V227 VanDerWaalsContact C-N 3.34Å; P225-V227 PolarHBondContact O-N 3.38Å
228Q37.5Very low48.1Very low175 Ų175114.4 Ų114.482%0.81863%0.632SS**THydrogen-bonded Turntrans56.879.5-170.2-61.4173.9-17.200114.9S226 Q230S226-Q228 PolarHBondContact O-N 2.88Å; Q228-Q230 PolarHBondContact O-N 2.95Å
229A33.4Very low47.4Very low68 Ų68110.9 Ų110.956%0.56262%0.62SS**  trans-71.488.7144.100000107.2S226 M231S226-A229 PolarHBondContact O-N 3.38Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.04Å; A229-M231 PolarHBondContact O-N 3.4Å; A229-M231 VanDerWaalsContact O-N 3.12Å
230Q31.4Very low47.5Very low177 Ų177114.4 Ų114.483%0.82765%0.645SS**  trans-50.4117.2135.8-79-174.1-36.400105.5Q228 S232Q228-Q230 PolarHBondContact O-N 2.95Å; Q230-S232 PolarHBondContact O-N 3.37Å
231M31.6Very low48Very low161 Ų161114.2 Ų114.279%0.79365%0.65SS**  trans-40.3120.8167-64.9177.167.700107A229 P233A229-M231 PolarHBondContact O-N 3.4Å; A229-M231 VanDerWaalsContact O-N 3.12Å; M231-P233 WeakPolarHBondContact O-CD 3.47Å
232S26.6Very low49Very low108 Ų108112.9 Ų112.976%0.75563%0.633SS**PPolyproline II helixtrans-51.8123.2155.5-51.10000104.3Q230Q230-S232 PolarHBondContact O-N 3.37Å
233P32.9Very low50.5Low102 Ų102109.6 Ų109.666%0.66261%0.607SS**PPolyproline II helixtrans-53.4143.7176.622.9-31.1000106.6M231 R235M231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-R235 PolarHBondContact O-N 3.04Å
234P36.5Very low52.5Low67 Ų67105.8 Ų105.844%0.43559%0.586SS.*PPolyproline II helixtrans-47.8138.317421.5-30.5000107.1S236 P238P234-S236 CarbonylContact C-O 3.56Å; P234-S236 VanDerWaalsContact C-O 3.29Å; P234-S236 WeakPolarHBondContact CB-O 3.47Å; P234-S236 WeakPolarHBondContact CG-O 3.13Å; P234-S236 CarbonylContact O-C 3.56Å; P234-S236 WeakPolarHBondContact O-CA 3.29Å; P234-S236 PolarHBondContact O-N 3.24Å; P234-P238 HydrophobicContact CG-CG 4.1Å
235R44Very low54.6Low266 Ų266100 Ų100100%1.00458%0.575SS**SBendtrans-57.50.1-175.4-75-177.9176.6-174.7-1.2113.2P233P233-R235 PolarHBondContact O-N 3.04Å
236S42Very low57.1Low86 Ų8695 Ų9560%0.60154%0.542SS*.SBendtrans-139138.2158.2-6.60000106.2P234P234-S236 CarbonylContact C-O 3.56Å; P234-S236 VanDerWaalsContact C-O 3.29Å; P234-S236 WeakPolarHBondContact CB-O 3.47Å; P234-S236 WeakPolarHBondContact CG-O 3.13Å; P234-S236 CarbonylContact O-C 3.56Å; P234-S236 WeakPolarHBondContact O-CA 3.29Å; P234-S236 PolarHBondContact O-N 3.24Å
237P52.8Low59.9Low111 Ų11194 Ų9472%0.72154%0.535SS*.PPolyproline II helixtrans-49.5142.5168.521.4-31.3000109.3L239P237-L239 PolarHBondContact O-N 3.15Å
238P60.4Low62.4Low61 Ų6187.6 Ų87.640%0.39650%0.495SS..PPolyproline II helixtrans-52.3138.6177.8-8.917.9000107.9P234 Q242P234-P238 HydrophobicContact CG-CG 4.1Å; P238-Q242 HydrophobicContact CB-CB 4.04Å; P238-Q242 HydrophobicContact CB-CG 4.32Å
239L69.9Low64.9Low83 Ų8382.3 Ų82.344%0.43548%0.477SS..PPolyproline II helixtrans-49145.1173.1-68168.9000108.7P237 N241 Q242 R254 N300P237-L239 PolarHBondContact O-N 3.15Å; L239-N241 PolarHBondContact O-N 3.11Å; L239-Q242 HydrophobicContact CB-CB 4.22Å; L239-Q242 VanDerWaalsContact O-CB 3.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; L239-R254 PolarHBondContact O-NH1 2.94Å; L239-N300 HydrophobicContact CD1-CB 4.29Å
240P80.2Confident67.6Low104 Ų10483.4 Ų83.468%0.67547%0.471SS*.THydrogen-bonded Turntrans-49.4-36.2-179.8-27.934.4000112.2R254P240-R254 PolarHBondContact O-NH1 3.26Å
241N87.9Confident70.5Confident79 Ų7975.5 Ų75.542%0.42243%0.434SS..THydrogen-bonded Turntrans-102.110-176.7-54.8-32.7000114L239 Q243 N300 S301L239-N241 PolarHBondContact O-N 3.11Å; N241-Q243 WeakPolarHBondContact O-CG 3.39Å; N241-Q243 PolarHBondContact O-N 3.43Å; N241-Q243 PolarHBondContact O-NE2 3.26Å; N241-N300 CarbonylContact C-O 3.55Å; N241-N300 VanDerWaalsContact C-O 3.27Å; N241-S301 PolarHBondContact ND2-O 3.11Å
242Q91.8Very high73.3Confident40 Ų4069.7 Ų69.719%0.18740%0.404CS..  trans-52.1123.8-179.1-173.475.524.100110.9P238 L239 F244 V246 N300P238-Q242 HydrophobicContact CB-CB 4.04Å; P238-Q242 HydrophobicContact CB-CG 4.32Å; L239-Q242 HydrophobicContact CB-CB 4.22Å; L239-Q242 VanDerWaalsContact O-CB 3.27Å; L239-Q242 WeakPolarHBondContact O-CB 3.36Å; L239-Q242 PolarHBondContact O-N 3.37Å; Q242-F244 WeakPolarHBondContact CG-O 3.5Å; Q242-F244 PolarHBondContact NE2-O 3.01Å; Q242-V246 HydrophobicContact CB-CG2 3.99Å; Q242-V246 HydrophobicContact CG-CG2 3.5Å; Q242-N300 VanDerWaalsContact CD-CG 3.48Å; Q242-N300 PolarHBondContact N-O 3.38Å; Q242-N300 VanDerWaalsContact NE2-CG 3.27Å; Q242-N300 PolarHBondContact NE2-ND2 3Å; Q242-N300 PolarHBondContact NE2-OD1 2.81Å
243Q93.6Very high76.3Confident29 Ų2968.2 Ų68.214%0.13640%0.398CS..  trans-105.5-41.6178.8-61.2-57.9-57.900112.3N241 V264 Y299 N300 F323N241-Q243 WeakPolarHBondContact O-CG 3.39Å; N241-Q243 PolarHBondContact O-N 3.43Å; N241-Q243 PolarHBondContact O-NE2 3.26Å; Q243-V264 HydrophobicContact CB-CG2 3.8Å; Q243-V264 HydrophobicContact CG-CG2 4.18Å; Q243-Y299 HydrophobicContact CG-CD1 4.44Å; Q243-N300 PolarHBondContact N-OD1 3.03Å; Q243-F323 WeakPolarHBondContact O-CE2 3.47Å
244F93.6Very high78.9Confident4 Ų467.8 Ų67.82%0.01838%0.383CS..THydrogen-bonded Turntrans-86.2143.5-178.7-68.3-98.9000111.2Q242 V246 V264 Q296 Y299 N300 I319 T322 F323Q242-F244 WeakPolarHBondContact CG-O 3.5Å; Q242-F244 PolarHBondContact NE2-O 3.01Å; F244-V246 VanDerWaalsContact C-N 3.29Å; F244-V246 PolarHBondContact O-N 2.99Å; F244-V264 HydrophobicContact CE2-CG1 4.48Å; F244-V264 HydrophobicContact CE2-CG2 4.16Å; F244-V264 HydrophobicContact CZ-CG1 3.93Å; F244-V264 HydrophobicContact CZ-CG2 4.39Å; F244-Q296 HydrophobicContact CD1-CG 4.06Å; F244-Q296 HydrophobicContact CD2-CB 4.22Å; F244-Q296 HydrophobicContact CD2-CG 4.08Å; F244-Q296 HydrophobicContact CE1-CG 3.81Å; F244-Q296 HydrophobicContact CE2-CB 4.16Å; F244-Q296 HydrophobicContact CE2-CG 3.85Å; F244-Q296 HydrophobicContact CG-CG 4.21Å; F244-Q296 HydrophobicContact CZ-CG 3.72Å; F244-Y299 AromaticContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CG 4.19Å; F244-Y299 HydrophobicContact CZ-CD2 4.38Å; F244-N300 PolarHBondContact N-OD1 2.82Å; F244-I319 HydrophobicContact CZ-CG2 4.05Å; F244-T322 HydrophobicContact CE1-CG2 4.39Å; F244-F323 HydrophobicContact CD1-CB 4.35Å; F244-F323 HydrophobicContact CD1-CD2 4.41Å; F244-F323 HydrophobicContact CE1-CB 3.79Å; F244-F323 HydrophobicContact CE1-CD2 4.36Å; F244-F323 HydrophobicContact CZ-CB 4.38Å
245G88.4Confident81.1Confident47 Ų4766 Ų6649%0.48537%0.373SS..THydrogen-bonded Turntrans75.315-179.300000114.8E326G245-E326 VanDerWaalsContact CA-O 3.24Å; G245-E326 WeakPolarHBondContact CA-O 3.41Å; G245-E326 PolarHBondContact N-O 3.38Å
246V89.1Confident82.7Confident12 Ų1258.9 Ų58.97%0.07336%0.363CS..  trans-117.1142.7-176.2-176.20000109.5Q242 F244 M250 L251Q242-V246 HydrophobicContact CB-CG2 3.99Å; Q242-V246 HydrophobicContact CG-CG2 3.5Å; F244-V246 VanDerWaalsContact C-N 3.29Å; F244-V246 PolarHBondContact O-N 2.99Å; V246-M250 HydrophobicContact CG1-CB 3.73Å; V246-M250 HydrophobicContact CG1-CG 3.55Å; V246-L251 HydrophobicContact CB-CD2 3.93Å; V246-L251 HydrophobicContact CB-CG 4.13Å; V246-L251 HydrophobicContact CG1-CD2 3.86Å; V246-L251 HydrophobicContact CG1-CG 3.95Å
247S92.4Very high84.6Confident51 Ų5160.7 Ų60.736%0.35737%0.367SS..  trans-69.7147.1179.464.40000111.7M250 L251S247-M250 WeakPolarHBondContact O-CB 3.42Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 WeakPolarHBondContact OG-CB 3.43Å; S247-L251 PolarHBondContact O-N 3.16Å
248L93.4Very high86Confident8 Ų859.8 Ų59.84%0.04236%0.355CS..Hα-helixtrans-55.6-42.5179.8-57.1175.1000113.3M250 L251 R252 P262 F323 L327 L331 E365L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.38Å; L248-L251 HydrophobicContact CD2-CD1 4.48Å; L248-L251 PolarHBondContact O-N 3.25Å; L248-L251 VanDerWaalsContact O-N 3.16Å; L248-R252 PolarHBondContact O-N 3.07Å; L248-P262 HydrophobicContact CD2-CG 3.44Å; L248-P262 VanDerWaalsContact CD2-CG 3.44Å; L248-F323 HydrophobicContact CD2-CE1 4.4Å; L248-F323 HydrophobicContact CD2-CZ 4.27Å; L248-L327 HydrophobicContact CD2-CD1 4.39Å; L248-L327 HydrophobicContact CD2-CD2 3.86Å; L248-L327 HydrophobicContact CG-CD2 4.28Å; L248-L331 HydrophobicContact CD1-CD1 3.69Å; L248-E365 HydrophobicContact CB-CB 3.75Å; L248-E365 HydrophobicContact CB-CG 4.45Å; L248-E365 HydrophobicContact CD1-CB 4.36Å
249P91.5Very high87.3Confident65 Ų6561 Ų6142%0.42236%0.356SS..Hα-helixtrans-61-36.2176.4-25.436.3000113.3A253P249-A253 WeakPolarHBondContact O-CB 3.46Å; P249-A253 PolarHBondContact O-N 3.41Å
250M89.9Confident88.2Confident91 Ų9157.5 Ų57.545%0.44834%0.339SS..Hα-helixtrans-70.6-37.8176.7179.772.17500111.4V246 S247 L248 R254V246-M250 HydrophobicContact CG1-CB 3.73Å; V246-M250 HydrophobicContact CG1-CG 3.55Å; S247-M250 WeakPolarHBondContact O-CB 3.42Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 WeakPolarHBondContact OG-CB 3.43Å; L248-M250 VanDerWaalsContact C-N 3.28Å; L248-M250 PolarHBondContact O-N 3.38Å; M250-R254 VanDerWaalsContact O-CG 3.29Å; M250-R254 WeakPolarHBondContact O-CG 3.27Å; M250-R254 PolarHBondContact O-N 3.48Å
251L92Very high88.9Confident11 Ų1153 Ų536%0.05831%0.309CS..Hα-helixtrans-64.8-43.3174.8-67.1174.8000111.5V246 S247 L248 R254 S255 P262 F323V246-L251 HydrophobicContact CB-CD2 3.93Å; V246-L251 HydrophobicContact CB-CG 4.13Å; V246-L251 HydrophobicContact CG1-CD2 3.86Å; V246-L251 HydrophobicContact CG1-CG 3.95Å; S247-L251 PolarHBondContact O-N 3.16Å; L248-L251 HydrophobicContact CD2-CD1 4.48Å; L248-L251 PolarHBondContact O-N 3.25Å; L248-L251 VanDerWaalsContact O-N 3.16Å; L251-R254 PolarHBondContact O-N 3.19Å; L251-S255 PolarHBondContact O-N 2.81Å; L251-S255 VanDerWaalsContact O-N 3.11Å; L251-P262 HydrophobicContact CD1-CB 4.11Å; L251-P262 HydrophobicContact CD1-CG 4.15Å; L251-F323 HydrophobicContact CD1-CE2 3.88Å; L251-F323 HydrophobicContact CD1-CZ 3.73Å
252R91.4Very high89.3Confident38 Ų3849.6 Ų49.614%0.14329%0.292CS..Hα-helixtrans-59.2-48174.9-176.6-179.9-171.7-178.78.6111.7L248 R254 S255 N258 E364 E365L248-R252 PolarHBondContact O-N 3.07Å; R252-R254 PolarHBondContact O-N 3.42Å; R252-S255 WeakPolarHBondContact O-CB 3.38Å; R252-S255 PolarHBondContact O-N 2.85Å; R252-N258 WeakPolarHBondContact CG-OD1 3.32Å; R252-N258 PolarHBondContact NE-O 3.05Å; R252-E364 IonicContact CZ-OE1 2.68Å; R252-E364 IonicContact CZ-OE2 3.27Å; R252-E364 IonicContact NH1-OE1 3.82Å; R252-E364 PolarHBondContact NH1-OE1 2.85Å; R252-E364 IonicContact NH1-OE2 3.41Å; R252-E364 PolarHBondContact NH1-OE2 3.04Å; R252-E364 IonicContact NH2-OE1 2.92Å; R252-E364 PolarHBondContact NH2-OE1 3.47Å; R252-E364 IonicContact NH2-OE2 3.68Å; R252-E365 HydrophobicContact CB-CG 4.37Å; R252-E365 WeakPolarHBondContact CD-OE1 3.2Å; R252-E365 IonicContact CZ-OE1 2.69Å; R252-E365 IonicContact NH1-OE1 3.88Å; R252-E365 PolarHBondContact NH1-OE1 3.24Å
253A88.9Confident89.5Confident78 Ų7850.8 Ų50.865%0.64530%0.299SS*.Hα-helixtrans-62.2-24.3179.300000113.9P249P249-A253 WeakPolarHBondContact O-CB 3.46Å; P249-A253 PolarHBondContact O-N 3.41Å
254R86.2Confident89.7Confident92 Ų9249.4 Ų49.435%0.34729%0.292SS..Hα-helixtrans-89.3-15.6175.7-68.3173.7-172-162.8-0.9113.3L239 P240 M250 L251 R252L239-R254 PolarHBondContact O-NH1 2.94Å; P240-R254 PolarHBondContact O-NH1 3.26Å; M250-R254 VanDerWaalsContact O-CG 3.29Å; M250-R254 WeakPolarHBondContact O-CG 3.27Å; M250-R254 PolarHBondContact O-N 3.48Å; L251-R254 PolarHBondContact O-N 3.19Å; R252-R254 PolarHBondContact O-N 3.42Å
255S83.2Confident89.9Confident31 Ų3149.2 Ų49.222%0.21729%0.292CS..  trans-72.1129.4178.5-173.20000109.9L251 R252 D257 N258L251-S255 PolarHBondContact O-N 2.81Å; L251-S255 VanDerWaalsContact O-N 3.11Å; R252-S255 WeakPolarHBondContact O-CB 3.38Å; R252-S255 PolarHBondContact O-N 2.85Å; S255-D257 PolarHBondContact O-N 2.97Å; S255-N258 PolarHBondContact O-N 3.5Å
256S78.6Confident90.3Very high115 Ų11550.3 Ų50.380%0.80428%0.281SS*.THydrogen-bonded Turntrans-56.3-31.9175.332.30000112.9
257D81.4Confident90.6Very high125 Ų12552 Ų5267%0.66829%0.29SS*.THydrogen-bonded Turntrans-1016.8-175.5-51.3-41.8000113.4S255 E259S255-D257 PolarHBondContact O-N 2.97Å; D257-E259 PolarHBondContact O-N 3.42Å
258N82.4Confident90.9Very high91 Ų9149.5 Ų49.549%0.48727%0.273SS..  trans52.626.8-174.7-164.446.3000114.2R252 S255R252-N258 WeakPolarHBondContact CG-OD1 3.32Å; R252-N258 PolarHBondContact NE-O 3.05Å; S255-N258 PolarHBondContact O-N 3.5Å
259E87Confident91.1Very high87 Ų8749.4 Ų49.441%0.40727%0.272SS..  trans-63.6129.4-177-170.758.7-115.600111.1D257 R266D257-E259 PolarHBondContact O-N 3.42Å; E259-R266 VanDerWaalsContact CG-NH1 3.26Å
260A88.8Confident91.4Very high10 Ų1048.8 Ų48.88%0.08327%0.273CS..SBendtrans-76-27.8-175.200000112.7T368 S369A260-T368 HydrophobicContact CB-CG2 3.91Å; A260-S369 PolarHBondContact O-OG 2.93Å
261V96.3Very high91.8Very high8 Ų845.5 Ų45.55%0.04826%0.256CS..SBendtrans-89.2122.4176-176.60000109.6M265 R266 T368 F372V261-M265 HydrophobicContact CG1-CB 3.92Å; V261-R266 HydrophobicContact CB-CG 4.18Å; V261-R266 HydrophobicContact CG1-CG 3.76Å; V261-R266 PolarHBondContact O-NH1 3.29Å; V261-T368 HydrophobicContact CG2-CG2 3.91Å; V261-F372 HydrophobicContact CG1-CB 4.47Å; V261-F372 HydrophobicContact CG1-CD1 3.57Å; V261-F372 HydrophobicContact CG1-CE1 3.85Å; V261-F372 HydrophobicContact CG1-CG 3.96Å; V261-F372 HydrophobicContact CG1-CZ 4.46Å; V261-F372 HydrophobicContact CG2-CB 3.95Å; V261-F372 HydrophobicContact CG2-CD2 4.45Å; V261-F372 HydrophobicContact CG2-CG 4.07Å
262P95.9Very high92Very high8 Ų845 Ų455%0.05225%0.254CS..  trans-60.4149.1-179.5-25.934.4000114.7L248 L251 V264 M265 R266 F323 S369L248-P262 HydrophobicContact CD2-CG 3.44Å; L248-P262 VanDerWaalsContact CD2-CG 3.44Å; L251-P262 HydrophobicContact CD1-CB 4.11Å; L251-P262 HydrophobicContact CD1-CG 4.15Å; P262-V264 VanDerWaalsContact C-N 3.34Å; P262-V264 PolarHBondContact O-N 3.43Å; P262-M265 HydrophobicContact CG-SD 4.33Å; P262-M265 WeakPolarHBondContact O-CB 3.36Å; P262-M265 PolarHBondContact O-N 3.11Å; P262-R266 PolarHBondContact O-N 2.89Å; P262-R266 VanDerWaalsContact O-N 3.12Å; P262-F323 HydrophobicContact CB-CE1 4.01Å; P262-F323 HydrophobicContact CB-CE2 4.3Å; P262-F323 HydrophobicContact CB-CZ 3.51Å; P262-F323 HydrophobicContact CG-CE1 3.92Å; P262-F323 HydrophobicContact CG-CZ 3.63Å; P262-S369 WeakPolarHBondContact CD-OG 3.45Å
263L95.4Very high92.3Very high65 Ų6545.8 Ų45.834%0.3426%0.259SS..Hα-helixtrans-50.5-49.5179.8177.966.8000112.8M265 R266 D267 Y299L263-M265 PolarHBondContact O-N 3.5Å; L263-R266 PolarHBondContact O-N 3.27Å; L263-D267 WeakPolarHBondContact CD1-OD1 3.41Å; L263-D267 PolarHBondContact O-N 2.75Å; L263-Y299 HydrophobicContact CD2-CE1 4.34Å; L263-Y299 HydrophobicContact CG-CE1 4.4Å
264V97.1Very high92.6Very high0 Ų049.2 Ų49.20%026%0.262CS..Hα-helixtrans-57.3-38.5-179.1-177.50000111.8Q243 F244 P262 T268 Y299 I319 F323Q243-V264 HydrophobicContact CB-CG2 3.8Å; Q243-V264 HydrophobicContact CG-CG2 4.18Å; F244-V264 HydrophobicContact CE2-CG1 4.48Å; F244-V264 HydrophobicContact CE2-CG2 4.16Å; F244-V264 HydrophobicContact CZ-CG1 3.93Å; F244-V264 HydrophobicContact CZ-CG2 4.39Å; P262-V264 VanDerWaalsContact C-N 3.34Å; P262-V264 PolarHBondContact O-N 3.43Å; V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 WeakPolarHBondContact O-CG2 3.35Å; V264-T268 PolarHBondContact O-N 3.46Å; V264-T268 PolarHBondContact O-OG1 3.07Å; V264-Y299 HydrophobicContact CG1-CE2 4.2Å; V264-Y299 HydrophobicContact CG2-CD1 3.86Å; V264-Y299 HydrophobicContact CG2-CD2 4.15Å; V264-Y299 HydrophobicContact CG2-CE1 4.04Å; V264-Y299 HydrophobicContact CG2-CE2 4.3Å; V264-Y299 HydrophobicContact CG2-CG 3.93Å; V264-I319 HydrophobicContact CG1-CG2 3.82Å; V264-F323 HydrophobicContact CB-CD2 3.86Å; V264-F323 HydrophobicContact CB-CE2 4.28Å; V264-F323 HydrophobicContact CB-CG 4.12Å; V264-F323 HydrophobicContact CG1-CB 3.88Å; V264-F323 HydrophobicContact CG1-CD2 4.06Å; V264-F323 HydrophobicContact CG1-CG 4.01Å; V264-F323 HydrophobicContact CG2-CD2 4.05Å; V264-F323 HydrophobicContact CG2-CE2 4.34Å
265M98.1Very high93Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-68.6-44176.4-70.1-17763.800111.2V261 P262 L263 T268 V269 L320 F323 L324 S369 F372 L373V261-M265 HydrophobicContact CG1-CB 3.92Å; P262-M265 HydrophobicContact CG-SD 4.33Å; P262-M265 WeakPolarHBondContact O-CB 3.36Å; P262-M265 PolarHBondContact O-N 3.11Å; L263-M265 PolarHBondContact O-N 3.5Å; M265-T268 PolarHBondContact O-OG1 2.84Å; M265-V269 VanDerWaalsContact O-CB 3.22Å; M265-V269 WeakPolarHBondContact O-CB 3.16Å; M265-V269 WeakPolarHBondContact O-CG2 3.31Å; M265-V269 PolarHBondContact O-N 2.81Å; M265-L320 HydrophobicContact CB-CD1 4.31Å; M265-L320 HydrophobicContact CG-CD1 3.89Å; M265-F323 HydrophobicContact CG-CD1 3.67Å; M265-F323 HydrophobicContact CG-CE1 3.65Å; M265-F323 HydrophobicContact SD-CD1 4.15Å; M265-F323 HydrophobicContact SD-CE1 3.75Å; M265-L324 HydrophobicContact CE-CD2 4.45Å; M265-L324 HydrophobicContact SD-CD2 4.25Å; M265-S369 WeakPolarHBondContact CE-O 3.32Å; M265-F372 HydrophobicContact CB-CE1 4.38Å; M265-F372 HydrophobicContact CE-CD1 4.22Å; M265-L373 HydrophobicContact CE-CB 4.03Å
266R96.8Very high93.6Very high70 Ų7048.7 Ų48.726%0.26426%0.26SS..Hα-helixtrans-62.8-49.4179.8-60.7-170-49.2-107.98.7111.8E259 V261 P262 L263 V269 A270E259-R266 VanDerWaalsContact CG-NH1 3.26Å; V261-R266 HydrophobicContact CB-CG 4.18Å; V261-R266 HydrophobicContact CG1-CG 3.76Å; V261-R266 PolarHBondContact O-NH1 3.29Å; P262-R266 PolarHBondContact O-N 2.89Å; P262-R266 VanDerWaalsContact O-N 3.12Å; L263-R266 PolarHBondContact O-N 3.27Å; R266-V269 PolarHBondContact O-N 3.47Å; R266-A270 WeakPolarHBondContact O-CB 3.38Å; R266-A270 PolarHBondContact O-N 2.85Å
267D96.5Very high94.5Very high47 Ų4744.8 Ų44.825%0.25123%0.23SC..Hα-helixtrans-62.9-47-177.6-65.6-7.4000111.7L263 F271 Y299 F307L263-D267 WeakPolarHBondContact CD1-OD1 3.41Å; L263-D267 PolarHBondContact O-N 2.75Å; D267-F271 WeakPolarHBondContact O-CB 2.95Å; D267-F271 PolarHBondContact O-N 3.28Å; D267-F271 VanDerWaalsContact O-N 3.08Å; D267-Y299 WeakPolarHBondContact CB-OH 3.35Å; D267-Y299 VanDerWaalsContact OD2-CE1 3.32Å; D267-Y299 WeakPolarHBondContact OD2-CE1 3.37Å; D267-Y299 PolarHBondContact OD2-OH 3.48Å; D267-F307 HydrophobicContact CB-CE2 4.2Å
268T98.2Very high95.2Very high0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-67.3-42.4-179.751.90000111.8V264 M265 L272 F307 A316 I319 L320V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 WeakPolarHBondContact O-CG2 3.35Å; V264-T268 PolarHBondContact O-N 3.46Å; V264-T268 PolarHBondContact O-OG1 3.07Å; M265-T268 PolarHBondContact O-OG1 2.84Å; T268-L272 VanDerWaalsContact O-CB 3.3Å; T268-L272 WeakPolarHBondContact O-CB 3.36Å; T268-L272 WeakPolarHBondContact O-CD1 3.09Å; T268-L272 WeakPolarHBondContact O-CG 3.44Å; T268-L272 PolarHBondContact O-N 3.45Å; T268-F307 HydrophobicContact CG2-CE1 4.47Å; T268-F307 HydrophobicContact CG2-CE2 3.6Å; T268-F307 HydrophobicContact CG2-CZ 3.52Å; T268-A316 HydrophobicContact CG2-CB 4.35Å; T268-A316 WeakPolarHBondContact CG2-O 3.39Å; T268-I319 HydrophobicContact CG2-CB 4.18Å; T268-I319 HydrophobicContact CG2-CG2 3.8Å; T268-L320 HydrophobicContact CG2-CB 4.38Å
269V98.3Very high95.9Very high6 Ų642.8 Ų42.84%0.03622%0.215CC..Hα-helixtrans-67.3-43.6177.7168.60000111.2M265 R266 F271 L272 M273 L320 F372 F376M265-V269 VanDerWaalsContact O-CB 3.22Å; M265-V269 WeakPolarHBondContact O-CB 3.16Å; M265-V269 WeakPolarHBondContact O-CG2 3.31Å; M265-V269 PolarHBondContact O-N 2.81Å; R266-V269 PolarHBondContact O-N 3.47Å; V269-F271 PolarHBondContact O-N 2.84Å; V269-L272 PolarHBondContact O-N 3.34Å; V269-M273 HydrophobicContact CG1-CG 4.22Å; V269-M273 WeakPolarHBondContact O-CB 3.05Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.13Å; V269-L320 HydrophobicContact CG2-CD2 3.95Å; V269-F372 HydrophobicContact CB-CE1 3.71Å; V269-F372 HydrophobicContact CB-CZ 3.79Å; V269-F372 HydrophobicContact CG1-CE1 3.87Å; V269-F372 HydrophobicContact CG1-CE2 4.45Å; V269-F372 HydrophobicContact CG1-CZ 3.62Å; V269-F372 HydrophobicContact CG2-CD1 4.47Å; V269-F372 HydrophobicContact CG2-CE1 3.66Å; V269-F372 HydrophobicContact CG2-CZ 4.25Å; V269-F376 HydrophobicContact CB-CG 4.43Å; V269-F376 HydrophobicContact CG1-CB 3.82Å; V269-F376 HydrophobicContact CG1-CD1 4.29Å; V269-F376 HydrophobicContact CG1-CD2 3.76Å; V269-F376 HydrophobicContact CG1-CE2 4.4Å; V269-F376 HydrophobicContact CG1-CG 3.68Å; V269-F376 HydrophobicContact CG2-CB 4.44Å; V269-F376 HydrophobicContact CG2-CD1 3.78Å; V269-F376 HydrophobicContact CG2-CE1 4.16Å; V269-F376 HydrophobicContact CG2-CG 4.02Å
270A97.1Very high96.2Very high52 Ų5245.1 Ų45.143%0.4323%0.226SC..Hα-helixtrans-57.9-49.2177.700000111.4R266 L272 M273 E274R266-A270 WeakPolarHBondContact O-CB 3.38Å; R266-A270 PolarHBondContact O-N 2.85Å; A270-L272 PolarHBondContact O-N 2.87Å; A270-M273 PolarHBondContact O-N 3.31Å; A270-E274 PolarHBondContact O-N 3.2Å
271F97.5Very high96.2Very high22 Ų2245 Ų4510%0.09623%0.225CC..Hα-helixtrans-62.4-42.4176.9174.8-104000112.9D267 V269 M273 E274 Q275 F307 V313 A316D267-F271 WeakPolarHBondContact O-CB 2.95Å; D267-F271 PolarHBondContact O-N 3.28Å; D267-F271 VanDerWaalsContact O-N 3.08Å; V269-F271 PolarHBondContact O-N 2.84Å; F271-M273 VanDerWaalsContact C-N 3.34Å; F271-E274 PolarHBondContact O-N 2.97Å; F271-Q275 HydrophobicContact CD2-CG 4.29Å; F271-Q275 HydrophobicContact CE2-CB 4.07Å; F271-Q275 HydrophobicContact CE2-CG 3.86Å; F271-Q275 HydrophobicContact CZ-CB 4.11Å; F271-Q275 HydrophobicContact CZ-CG 4.37Å; F271-Q275 PolarHBondContact O-N 3.42Å; F271-F307 HydrophobicContact CB-CB 4.08Å; F271-F307 HydrophobicContact CB-CD2 4.28Å; F271-F307 HydrophobicContact CD1-CB 3.57Å; F271-F307 HydrophobicContact CD1-CG 4.16Å; F271-F307 HydrophobicContact CD2-CB 3.62Å; F271-F307 HydrophobicContact CE1-CB 3.79Å; F271-F307 HydrophobicContact CE2-CB 3.86Å; F271-F307 HydrophobicContact CG-CB 3.45Å; F271-F307 VanDerWaalsContact CG-CB 3.45Å; F271-F307 HydrophobicContact CG-CD2 4.49Å; F271-F307 HydrophobicContact CG-CG 4.24Å; F271-F307 HydrophobicContact CZ-CB 3.93Å; F271-V313 HydrophobicContact CE1-CB 4.46Å; F271-V313 HydrophobicContact CE1-CG1 3.99Å; F271-V313 HydrophobicContact CZ-CG2 4.38Å; F271-A316 HydrophobicContact CD1-CB 3.55Å; F271-A316 HydrophobicContact CE1-CB 3.98Å
272L97.7Very high96.2Very high1 Ų144.6 Ų44.61%0.00522%0.223CC..Hα-helixtrans-72.4-26.8-179.1-69.4171.1000113.2T268 V269 A270 E274 G276 L277 I282 F283 V313 A316 A317 F376T268-L272 VanDerWaalsContact O-CB 3.3Å; T268-L272 WeakPolarHBondContact O-CB 3.36Å; T268-L272 WeakPolarHBondContact O-CD1 3.09Å; T268-L272 WeakPolarHBondContact O-CG 3.44Å; T268-L272 PolarHBondContact O-N 3.45Å; V269-L272 PolarHBondContact O-N 3.34Å; A270-L272 PolarHBondContact O-N 2.87Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-G276 CarbonylContact O-C 3.27Å; L272-G276 WeakPolarHBondContact O-CA 3.48Å; L272-G276 PolarHBondContact O-N 3.23Å; L272-L277 PolarHBondContact O-N 3.06Å; L272-I282 HydrophobicContact CD2-CD1 3.85Å; L272-I282 HydrophobicContact CD2-CG1 4.34Å; L272-F283 HydrophobicContact CD1-CE1 4.01Å; L272-F283 HydrophobicContact CD1-CZ 3.64Å; L272-V313 HydrophobicContact CD2-CG1 4.01Å; L272-A316 HydrophobicContact CD1-CB 4.23Å; L272-A316 HydrophobicContact CD2-CB 4.03Å; L272-A316 HydrophobicContact CG-CB 3.98Å; L272-A317 HydrophobicContact CD1-CB 4.11Å; L272-A317 HydrophobicContact CD2-CB 4.36Å; L272-F376 HydrophobicContact CB-CE2 3.9Å; L272-F376 HydrophobicContact CB-CZ 3.63Å; L272-F376 HydrophobicContact CD1-CE1 4.49Å; L272-F376 HydrophobicContact CD1-CZ 4.01Å; L272-F376 HydrophobicContact CG-CZ 4.47Å
273M96.8Very high96.2Very high54 Ų5444.3 Ų44.327%0.26622%0.221SC..Hα-helixtrans-64.5-38.9169.5-78.1-65.3-158.800111.5V269 A270 F271 L277 F376 Q379V269-M273 HydrophobicContact CG1-CG 4.22Å; V269-M273 WeakPolarHBondContact O-CB 3.05Å; V269-M273 VanDerWaalsContact O-CG 3.3Å; V269-M273 WeakPolarHBondContact O-CG 3.42Å; V269-M273 PolarHBondContact O-N 3.13Å; A270-M273 PolarHBondContact O-N 3.31Å; F271-M273 VanDerWaalsContact C-N 3.34Å; M273-L277 WeakPolarHBondContact O-CD1 3.32Å; M273-L277 HydrophobicContact SD-CD1 4.39Å; M273-L277 HydrophobicContact SD-CD2 4.22Å; M273-F376 HydrophobicContact CE-CB 3.98Å; M273-F376 HydrophobicContact CE-CD2 3.54Å; M273-F376 HydrophobicContact CE-CG 4.24Å; M273-F376 HydrophobicContact CG-CD2 3.91Å; M273-F376 HydrophobicContact CG-CE2 4.18Å; M273-F376 HydrophobicContact SD-CD2 3.65Å; M273-F376 HydrophobicContact SD-CE2 4.11Å; M273-Q379 HydrophobicContact CE-CB 4.15Å; M273-Q379 HydrophobicContact CE-CG 4Å; M273-Q379 VanDerWaalsContact CE-NE2 3.29Å; M273-Q379 HydrophobicContact SD-CB 4.23Å; M273-Q379 PolarHBondContact SD-OE1 3.17Å; M273-Q379 VanDerWaalsContact SD-OE1 3.33Å
274E95.5Very high95.9Very high149 Ų14949.9 Ų49.970%0.69624%0.238SC*.Hα-helixtrans-80-41.1-178.6-68.8179.7-178.300113.2A270 F271 L272A270-E274 PolarHBondContact O-N 3.2Å; F271-E274 PolarHBondContact O-N 2.97Å; L272-E274 VanDerWaalsContact C-N 3.32Å
275Q94.9Very high95.2Very high112 Ų11256.9 Ų56.952%0.52326%0.264SS..Hα-helixtrans-122.6-10.2-168.1-58.7-60.6-48.400114.2F271 I279F271-Q275 HydrophobicContact CD2-CG 4.29Å; F271-Q275 HydrophobicContact CE2-CB 4.07Å; F271-Q275 HydrophobicContact CE2-CG 3.86Å; F271-Q275 HydrophobicContact CZ-CB 4.11Å; F271-Q275 HydrophobicContact CZ-CG 4.37Å; F271-Q275 PolarHBondContact O-N 3.42Å; Q275-I279 VanDerWaalsContact O-CG1 3.25Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å
276G94.8Very high94.4Very high1 Ų162.2 Ų62.21%0.0130%0.301CS..THydrogen-bonded Turntrans-103.5-19.7-168.600000116L272 E278 I279L272-G276 CarbonylContact O-C 3.27Å; L272-G276 WeakPolarHBondContact O-CA 3.48Å; L272-G276 PolarHBondContact O-N 3.23Å; G276-E278 VanDerWaalsContact C-N 3.31Å; G276-E278 PolarHBondContact O-N 3.46Å; G276-I279 PolarHBondContact O-N 3.28Å
277L97.4Very high93.8Very high33 Ų3359.6 Ų59.617%0.17329%0.294CS..THydrogen-bonded Turntrans-64.9-29.3-168.9-64.9-177.7000114.3L272 M273 F376 Q379 V380 Q383 N387L272-L277 PolarHBondContact O-N 3.06Å; M273-L277 WeakPolarHBondContact O-CD1 3.32Å; M273-L277 HydrophobicContact SD-CD1 4.39Å; M273-L277 HydrophobicContact SD-CD2 4.22Å; L277-F376 HydrophobicContact CD2-CE2 4.42Å; L277-Q379 HydrophobicContact CD2-CB 4.45Å; L277-V380 HydrophobicContact CD2-CG2 3.89Å; L277-Q383 HydrophobicContact CB-CG 4.36Å; L277-Q383 WeakPolarHBondContact O-CB 3.37Å; L277-N387 WeakPolarHBondContact O-CB 3.06Å; L277-N387 PolarHBondContact O-ND2 2.77Å
278E96.7Very high93.2Very high120 Ų12061.4 Ų61.456%0.56130%0.304SS*.THydrogen-bonded Turntrans-102.1-0.1-179.3-66.6-174.4-173.200113.1G276 E280 I386G276-E278 VanDerWaalsContact C-N 3.31Å; G276-E278 PolarHBondContact O-N 3.46Å; E278-E280 PolarHBondContact O-N 3.19Å; E278-I386 HydrophobicContact CB-CG2 3.99Å; E278-I386 HydrophobicContact CG-CD1 4.1Å; E278-I386 HydrophobicContact CG-CG2 4.4Å; E278-I386 WeakPolarHBondContact O-CG2 3.48Å
279I96.7Very high92.5Very high54 Ų5466 Ų6628%0.27733%0.332SS..  trans-75.8118.9-175.5-59-58.9000111Q275 G276 G281 I282 V313 H314 N387Q275-I279 VanDerWaalsContact O-CG1 3.25Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å; G276-I279 PolarHBondContact O-N 3.28Å; I279-G281 PolarHBondContact O-N 2.7Å; I279-I282 HydrophobicContact CB-CB 4.45Å; I279-I282 WeakPolarHBondContact O-CB 3.39Å; I279-I282 PolarHBondContact O-N 3.06Å; I279-I282 VanDerWaalsContact O-N 3.15Å; I279-V313 HydrophobicContact CG1-CB 4.35Å; I279-V313 HydrophobicContact CG1-CG1 3.98Å; I279-H314 VanDerWaalsContact CG2-CE1 3.44Å; I279-H314 WeakPolarHBondContact CG2-CE1 3.38Å; I279-N387 VanDerWaalsContact O-CB 3.3Å; I279-N387 WeakPolarHBondContact O-CB 3.37Å
280E93.8Very high91.9Very high135 Ų13570.8 Ų70.863%0.63136%0.361SS*.THydrogen-bonded Turntrans-56.1125179-169.4-178.9152.600112.5E278 I282 H314 K388E278-E280 PolarHBondContact O-N 3.19Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 2.83Å; E280-H314 PolarHBondContact O-CE1 2.95Å; E280-K388 HydrophobicContact CG-CG 3.98Å
281G88.8Confident91.5Very high7 Ų772 Ų727%0.07236%0.36CS..THydrogen-bonded Turntrans69.924.7177.900000114.1I279 F283 R284 R285 N387I279-G281 PolarHBondContact O-N 2.7Å; G281-F283 PolarHBondContact O-N 2.92Å; G281-R284 WeakPolarHBondContact O-CA 3.07Å; G281-R284 WeakPolarHBondContact O-CB 3.43Å; G281-R284 PolarHBondContact O-N 3.49Å; G281-R285 PolarHBondContact O-N 3.26Å; G281-N387 PolarHBondContact N-O 3.22Å
282I96.3Very high91.2Very high1 Ų171.6 Ų71.61%0.00536%0.36CS..THydrogen-bonded Turntrans-51.7138.4171.3-165.560.9000110.7L272 I279 E280 R284 V313 A317 V380 N387 M389L272-I282 HydrophobicContact CD2-CD1 3.85Å; L272-I282 HydrophobicContact CD2-CG1 4.34Å; I279-I282 HydrophobicContact CB-CB 4.45Å; I279-I282 WeakPolarHBondContact O-CB 3.39Å; I279-I282 PolarHBondContact O-N 3.06Å; I279-I282 VanDerWaalsContact O-N 3.15Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 2.83Å; I282-R284 PolarHBondContact O-N 3.02Å; I282-V313 HydrophobicContact CD1-CG1 4.37Å; I282-A317 HydrophobicContact CD1-CB 3.62Å; I282-A317 HydrophobicContact CG1-CB 4.19Å; I282-V380 HydrophobicContact CG2-CG1 3.8Å; I282-N387 HydrophobicContact CG2-CB 4.26Å; I282-M389 HydrophobicContact CG2-CG 4.13Å; I282-M389 WeakPolarHBondContact O-CE 3.44Å; I282-M389 VanDerWaalsContact O-CG 3.22Å; I282-M389 WeakPolarHBondContact O-CG 3.22Å
283F95.9Very high90.7Very high1 Ų178.3 Ų78.30%0.00439%0.389CS..THydrogen-bonded Turntrans63.6-16.1-167-54.5-71.5000117.9L272 G281 A317 L320 K321 F376 L377 V380 L394 V397 F398L272-F283 HydrophobicContact CD1-CE1 4.01Å; L272-F283 HydrophobicContact CD1-CZ 3.64Å; G281-F283 PolarHBondContact O-N 2.92Å; F283-A317 HydrophobicContact CD1-CB 3.55Å; F283-A317 HydrophobicContact CE1-CB 3.49Å; F283-A317 VanDerWaalsContact CE1-CB 3.49Å; F283-A317 HydrophobicContact CG-CB 4.21Å; F283-A317 HydrophobicContact CZ-CB 4.11Å; F283-L320 HydrophobicContact CE1-CD2 4.02Å; F283-L320 HydrophobicContact CZ-CD2 4.3Å; F283-K321 HydrophobicContact CB-CD 4.47Å; F283-K321 HydrophobicContact CD1-CD 4.19Å; F283-K321 HydrophobicContact CD1-CG 4.22Å; F283-K321 PolarHBondContact O-NZ 2.67Å; F283-F376 HydrophobicContact CE1-CE1 4.45Å; F283-F376 AromaticContact CE2-CE1 3.89Å; F283-F376 HydrophobicContact CE2-CE1 3.89Å; F283-F376 AromaticContact CE2-CZ 3.93Å; F283-F376 HydrophobicContact CE2-CZ 3.93Å; F283-F376 AromaticContact CZ-CE1 3.42Å; F283-F376 HydrophobicContact CZ-CE1 3.42Å; F283-F376 VanDerWaalsContact CZ-CE1 3.42Å; F283-F376 AromaticContact CZ-CZ 3.63Å; F283-F376 HydrophobicContact CZ-CZ 3.63Å; F283-L377 HydrophobicContact CE2-CD2 4.17Å; F283-L377 HydrophobicContact CZ-CD2 4.46Å; F283-V380 HydrophobicContact CD2-CG1 4.43Å; F283-V380 HydrophobicContact CE2-CG1 4.33Å; F283-V380 HydrophobicContact CE2-CG2 4.04Å; F283-L394 HydrophobicContact CD2-CD2 3.94Å; F283-V397 HydrophobicContact CB-CG2 3.95Å; F283-F398 HydrophobicContact CB-CE2 4.04Å; F283-F398 AromaticContact CD1-CE2 3.58Å; F283-F398 HydrophobicContact CD1-CE2 3.58Å; F283-F398 AromaticContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD2-CE2 4.03Å; F283-F398 HydrophobicContact CE1-CE2 4.07Å; F283-F398 AromaticContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE2-CE2 4.46Å; F283-F398 AromaticContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CZ 4.02Å; F283-F398 HydrophobicContact CZ-CE2 4.49Å; F283-F398 HydrophobicContact CZ-CZ 4.24Å
284R88.9Confident90.4Very high183 Ų18379.4 Ų79.469%0.69140%0.396SS*.THydrogen-bonded Turntrans-88.8-40.4175.6-178.1179.9176.1-168.4-1.4112.5G281 I282 M389G281-R284 WeakPolarHBondContact O-CA 3.07Å; G281-R284 WeakPolarHBondContact O-CB 3.43Å; G281-R284 PolarHBondContact O-N 3.49Å; I282-R284 PolarHBondContact O-N 3.02Å; R284-M389 HydrophobicContact CB-CE 4.1Å; R284-M389 HydrophobicContact CB-SD 3.82Å
285R83.5Confident90.4Very high147 Ų14772.3 Ų72.356%0.55536%0.363SS*.SBendtrans-76.1149.5-177.7-64.6-178.366.9-1685.5111.6G281 H314G281-R285 PolarHBondContact O-N 3.26Å; R285-H314 WeakPolarHBondContact CD-NE2 3.45Å; R285-H314 PolarHBondContact NH1-NE2 3.09Å
286S80.9Confident90.3Very high112 Ų11268.6 Ų68.678%0.78335%0.345SS*.  trans-83150.2174.3-600000110.6
287A83.3Confident90.1Very high14 Ų1473.6 Ų73.612%0.11637%0.368CS..  trans-105.7168.5171.100000110.2V289 V292 L315 V318A287-V289 PolarHBondContact O-N 2.7Å; A287-V292 HydrophobicContact CB-CG2 4.17Å; A287-L315 HydrophobicContact CB-CB 4.29Å; A287-L315 HydrophobicContact CB-CD1 4.14Å; A287-V318 HydrophobicContact CB-CB 4.02Å; A287-V318 HydrophobicContact CB-CG1 4.46Å; A287-V318 HydrophobicContact CB-CG2 3.75Å
288N84.6Confident89.9Confident85 Ų8574.4 Ų74.446%0.45537%0.369SS..  trans-61.8120.8176.2-174.8-52.3000111.2T290 L291 V292N288-T290 VanDerWaalsContact C-N 3.27Å; N288-T290 PolarHBondContact O-N 3.48Å; N288-T290 WeakPolarHBondContact OD1-CA 3.35Å; N288-T290 VanDerWaalsContact OD1-CB 3.27Å; N288-T290 WeakPolarHBondContact OD1-CB 3.32Å; N288-T290 PolarHBondContact OD1-N 2.82Å; N288-L291 HydrophobicContact CB-CB 4.17Å; N288-L291 HydrophobicContact CB-CD1 3.97Å; N288-L291 HydrophobicContact CB-CG 4.03Å; N288-L291 PolarHBondContact O-N 3.3Å; N288-L291 PolarHBondContact OD1-N 2.69Å; N288-V292 WeakPolarHBondContact O-CG2 3.36Å; N288-V292 PolarHBondContact O-N 3.29Å
289V83.4Confident89.9Confident98 Ų9869 Ų6959%0.59434%0.343SS*.Hα-helixtrans-61.6-33.5-176.1179.60000112.6A287 K293A287-V289 PolarHBondContact O-N 2.7Å; V289-K293 WeakPolarHBondContact O-CG 3.47Å; V289-K293 PolarHBondContact O-N 3.47Å; V289-K293 VanDerWaalsContact O-N 3.13Å
290T85.8Confident89.7Confident105 Ų10567.2 Ų67.264%0.64433%0.334SS*.Hα-helixtrans-68.4-45.3177.5-53.50000110.8N288 V292 K293 D294N288-T290 VanDerWaalsContact C-N 3.27Å; N288-T290 PolarHBondContact O-N 3.48Å; N288-T290 WeakPolarHBondContact OD1-CA 3.35Å; N288-T290 VanDerWaalsContact OD1-CB 3.27Å; N288-T290 WeakPolarHBondContact OD1-CB 3.32Å; N288-T290 PolarHBondContact OD1-N 2.82Å; T290-V292 VanDerWaalsContact C-N 3.32Å; T290-V292 PolarHBondContact O-N 3.02Å; T290-K293 PolarHBondContact O-N 2.92Å; T290-D294 PolarHBondContact O-N 2.9Å
291L89.2Confident89.5Confident78 Ų7862.7 Ų62.741%0.40832%0.318SS..Hα-helixtrans-64.2-37.8175.8-66.1-179.7000111.8N288 K293 D294 V295 L315N288-L291 HydrophobicContact CB-CB 4.17Å; N288-L291 HydrophobicContact CB-CD1 3.97Å; N288-L291 HydrophobicContact CB-CG 4.03Å; N288-L291 PolarHBondContact O-N 3.3Å; N288-L291 PolarHBondContact OD1-N 2.69Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.69Å; L291-D294 PolarHBondContact O-N 2.85Å; L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 2.89Å; L291-L315 HydrophobicContact CB-CD1 4.16Å; L291-L315 HydrophobicContact CB-CD2 3.96Å; L291-L315 HydrophobicContact CD1-CD2 4.39Å
292V90Very high89.6Confident14 Ų1464.6 Ų64.69%0.08534%0.338CS..Hα-helixtrans-58.5-45.3174.4168.90000111.1A287 N288 T290 Q296 L315 V318 I319A287-V292 HydrophobicContact CB-CG2 4.17Å; N288-V292 WeakPolarHBondContact O-CG2 3.36Å; N288-V292 PolarHBondContact O-N 3.29Å; T290-V292 VanDerWaalsContact C-N 3.32Å; T290-V292 PolarHBondContact O-N 3.02Å; V292-Q296 WeakPolarHBondContact O-CG 3.25Å; V292-Q296 PolarHBondContact O-N 2.9Å; V292-L315 HydrophobicContact CB-CD1 4.35Å; V292-L315 HydrophobicContact CG2-CD1 3.54Å; V292-V318 HydrophobicContact CG1-CG1 4.48Å; V292-V318 HydrophobicContact CG2-CB 4.41Å; V292-V318 HydrophobicContact CG2-CG1 3.69Å; V292-I319 HydrophobicContact CB-CD1 4.43Å; V292-I319 HydrophobicContact CG1-CD1 3.99Å
293K88.1Confident89.4Confident142 Ų14269.2 Ų69.262%0.61736%0.359SS*.Hα-helixtrans-66.8-38.6177.5-72.4179.5180-1780112.5V289 T290 L291 Q296 H297V289-K293 WeakPolarHBondContact O-CG 3.47Å; V289-K293 PolarHBondContact O-N 3.47Å; V289-K293 VanDerWaalsContact O-N 3.13Å; T290-K293 PolarHBondContact O-N 2.92Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 2.69Å; K293-Q296 PolarHBondContact O-N 3.23Å; K293-H297 WeakPolarHBondContact O-CB 3.38Å; K293-H297 PolarHBondContact O-N 3.33Å
294D91.1Very high89.1Confident76 Ų7677.4 Ų77.441%0.40640%0.397SS..Hα-helixtrans-62.1-48.6176.6-175.767000111.6T290 L291 Q296 H297 R298T290-D294 PolarHBondContact O-N 2.9Å; L291-D294 PolarHBondContact O-N 2.85Å; D294-Q296 PolarHBondContact O-N 2.8Å; D294-H297 WeakPolarHBondContact O-CB 3.34Å; D294-H297 PolarHBondContact O-N 2.95Å; D294-H297 VanDerWaalsContact O-N 3.11Å; D294-R298 WeakPolarHBondContact O-CG 3.3Å; D294-R298 PolarHBondContact O-N 3.31Å
295V94.3Very high89.3Confident1 Ų169.4 Ų69.41%0.00637%0.369CS..Hα-helixtrans-62.5-41.6176.9173.40000111.9L291 H297 R298 Y299 V305 F307 M310 L315 I319L291-V295 WeakPolarHBondContact O-CG2 3.42Å; L291-V295 PolarHBondContact O-N 2.89Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 3.35Å; V295-R298 PolarHBondContact O-N 2.73Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.7Å; V295-Y299 WeakPolarHBondContact O-CD2 3.4Å; V295-Y299 PolarHBondContact O-N 3.4Å; V295-V305 HydrophobicContact CG1-CG1 3.92Å; V295-F307 HydrophobicContact CG1-CE1 4.2Å; V295-F307 HydrophobicContact CG1-CZ 4.24Å; V295-M310 HydrophobicContact CG2-CE 3.59Å; V295-M310 HydrophobicContact CG2-SD 3.98Å; V295-L315 HydrophobicContact CG2-CD2 4.11Å; V295-I319 HydrophobicContact CB-CD1 3.86Å; V295-I319 HydrophobicContact CB-CG1 4.31Å; V295-I319 HydrophobicContact CG1-CD1 3.73Å; V295-I319 HydrophobicContact CG1-CG1 3.9Å; V295-I319 HydrophobicContact CG1-CG2 4.4Å
296Q93.4Very high89.6Confident33 Ų3363.8 Ų63.815%0.15435%0.352CS..Hα-helixtrans-59.4-43.2172.9-75.1-178.448.500112.1F244 V292 K293 D294 Y299 N300 I319F244-Q296 HydrophobicContact CD1-CG 4.06Å; F244-Q296 HydrophobicContact CD2-CB 4.22Å; F244-Q296 HydrophobicContact CD2-CG 4.08Å; F244-Q296 HydrophobicContact CE1-CG 3.81Å; F244-Q296 HydrophobicContact CE2-CB 4.16Å; F244-Q296 HydrophobicContact CE2-CG 3.85Å; F244-Q296 HydrophobicContact CG-CG 4.21Å; F244-Q296 HydrophobicContact CZ-CG 3.72Å; V292-Q296 WeakPolarHBondContact O-CG 3.25Å; V292-Q296 PolarHBondContact O-N 2.9Å; K293-Q296 PolarHBondContact O-N 3.23Å; D294-Q296 PolarHBondContact O-N 2.8Å; Q296-Y299 PolarHBondContact O-N 2.82Å; Q296-N300 WeakPolarHBondContact O-CB 3.3Å; Q296-N300 PolarHBondContact O-N 2.88Å; Q296-N300 PolarHBondContact O-ND2 3.44Å; Q296-N300 VanDerWaalsContact O-ND2 3.09Å; Q296-I319 HydrophobicContact CG-CD1 4.2Å
297H91.1Very high90Very high107 Ų10758.9 Ų58.950%0.49532%0.316SS..Hα-helixtrans-61.1-48.4177.9-179.959.4000111.2K293 D294 V295 Y299 N300 S301K293-H297 WeakPolarHBondContact O-CB 3.38Å; K293-H297 PolarHBondContact O-N 3.33Å; D294-H297 WeakPolarHBondContact O-CB 3.34Å; D294-H297 PolarHBondContact O-N 2.95Å; D294-H297 VanDerWaalsContact O-N 3.11Å; V295-H297 VanDerWaalsContact C-N 3.31Å; V295-H297 PolarHBondContact O-N 3.35Å; H297-Y299 PolarHBondContact O-N 3.44Å; H297-N300 PolarHBondContact O-N 3.37Å; H297-N300 VanDerWaalsContact O-N 3.14Å; H297-S301 PolarHBondContact CE1-OG 3.36Å; H297-S301 WeakPolarHBondContact O-CB 3.41Å; H297-S301 PolarHBondContact O-N 3.15Å; H297-S301 PolarHBondContact O-OG 3.37Å; H297-S301 VanDerWaalsContact O-OG 3.12Å
298R93.1Very high90.1Very high50 Ų5062.6 Ų62.619%0.18934%0.342CS..Hα-helixtrans-55.4-49.5177.1-73.2174.959.9171.92.7112.1D294 V295 N300 S301 G302 E303 E304 V305D294-R298 WeakPolarHBondContact O-CG 3.3Å; D294-R298 PolarHBondContact O-N 3.31Å; V295-R298 PolarHBondContact O-N 2.73Å; R298-N300 PolarHBondContact O-N 3.47Å; R298-S301 PolarHBondContact O-N 3.07Å; R298-G302 PolarHBondContact O-N 3.31Å; R298-E303 HydrophobicContact CB-CB 4.08Å; R298-E303 HydrophobicContact CG-CB 4.41Å; R298-E303 PolarHBondContact O-N 3.5Å; R298-E304 PolarHBondContact NH2-O 3.5Å; R298-V305 HydrophobicContact CB-CG2 3.81Å
299Y95.2Very high90Very high5 Ų565.9 Ų65.92%0.0235%0.354CS..Hα-helixtrans-57.8-47.2175.2-87.4-57.9000112.5Q243 F244 L263 V264 D267 V295 Q296 H297 S301 G302 V305 F307 I319Q243-Y299 HydrophobicContact CG-CD1 4.44Å; F244-Y299 AromaticContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CD2 3.94Å; F244-Y299 HydrophobicContact CE2-CG 4.19Å; F244-Y299 HydrophobicContact CZ-CD2 4.38Å; L263-Y299 HydrophobicContact CD2-CE1 4.34Å; L263-Y299 HydrophobicContact CG-CE1 4.4Å; V264-Y299 HydrophobicContact CG1-CE2 4.2Å; V264-Y299 HydrophobicContact CG2-CD1 3.86Å; V264-Y299 HydrophobicContact CG2-CD2 4.15Å; V264-Y299 HydrophobicContact CG2-CE1 4.04Å; V264-Y299 HydrophobicContact CG2-CE2 4.3Å; V264-Y299 HydrophobicContact CG2-CG 3.93Å; D267-Y299 WeakPolarHBondContact CB-OH 3.35Å; D267-Y299 VanDerWaalsContact OD2-CE1 3.32Å; D267-Y299 WeakPolarHBondContact OD2-CE1 3.37Å; D267-Y299 PolarHBondContact OD2-OH 3.48Å; V295-Y299 HydrophobicContact CG1-CD2 3.77Å; V295-Y299 HydrophobicContact CG1-CE2 3.7Å; V295-Y299 WeakPolarHBondContact O-CD2 3.4Å; V295-Y299 PolarHBondContact O-N 3.4Å; Q296-Y299 PolarHBondContact O-N 2.82Å; H297-Y299 PolarHBondContact O-N 3.44Å; Y299-S301 VanDerWaalsContact C-N 3.28Å; Y299-S301 PolarHBondContact O-N 2.79Å; Y299-G302 PolarHBondContact O-N 3.37Å; Y299-G302 VanDerWaalsContact O-N 3.08Å; Y299-V305 HydrophobicContact CD1-CG2 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 3.91Å; Y299-V305 HydrophobicContact CE1-CB 4Å; Y299-V305 HydrophobicContact CE1-CG2 3.94Å; Y299-V305 HydrophobicContact CE2-CB 3.97Å; Y299-V305 HydrophobicContact CE2-CG1 3.9Å; Y299-V305 HydrophobicContact CE2-CG2 3.84Å; Y299-V305 HydrophobicContact CG-CG2 3.99Å; Y299-F307 HydrophobicContact CE2-CZ 4.18Å; Y299-F307 WeakPolarHBondContact OH-CE2 3.16Å; Y299-I319 HydrophobicContact CE2-CG2 4.31Å
300N92.2Very high89.9Confident17 Ų1763.1 Ų63.19%0.09134%0.335CS..Hα-helixtrans-68.4-26.4-178.5-69.7-30.4000113.5L239 N241 Q242 Q243 F244 Q296 H297 R298 G302L239-N300 HydrophobicContact CD1-CB 4.29Å; N241-N300 CarbonylContact C-O 3.55Å; N241-N300 VanDerWaalsContact C-O 3.27Å; Q242-N300 VanDerWaalsContact CD-CG 3.48Å; Q242-N300 PolarHBondContact N-O 3.38Å; Q242-N300 VanDerWaalsContact NE2-CG 3.27Å; Q242-N300 PolarHBondContact NE2-ND2 3Å; Q242-N300 PolarHBondContact NE2-OD1 2.81Å; Q243-N300 PolarHBondContact N-OD1 3.03Å; F244-N300 PolarHBondContact N-OD1 2.82Å; Q296-N300 WeakPolarHBondContact O-CB 3.3Å; Q296-N300 PolarHBondContact O-N 2.88Å; Q296-N300 PolarHBondContact O-ND2 3.44Å; Q296-N300 VanDerWaalsContact O-ND2 3.09Å; H297-N300 PolarHBondContact O-N 3.37Å; H297-N300 VanDerWaalsContact O-N 3.14Å; R298-N300 PolarHBondContact O-N 3.47Å; N300-G302 VanDerWaalsContact C-N 3.34Å
301S90.9Very high89.7Confident41 Ų4167.9 Ų67.929%0.28735%0.35SS..Hα-helixtrans-80.4-15.7173-64.10000112.6N241 H297 R298 Y299N241-S301 PolarHBondContact ND2-O 3.11Å; H297-S301 PolarHBondContact CE1-OG 3.36Å; H297-S301 WeakPolarHBondContact O-CB 3.41Å; H297-S301 PolarHBondContact O-N 3.15Å; H297-S301 PolarHBondContact O-OG 3.37Å; H297-S301 VanDerWaalsContact O-OG 3.12Å; R298-S301 PolarHBondContact O-N 3.07Å; Y299-S301 VanDerWaalsContact C-N 3.28Å; Y299-S301 PolarHBondContact O-N 2.79Å
302G89.9Confident89.6Confident47 Ų4766.4 Ų66.449%0.48534%0.343SS..THydrogen-bonded Turntrans81.319.6-175.300000113.7R298 Y299 N300R298-G302 PolarHBondContact O-N 3.31Å; Y299-G302 PolarHBondContact O-N 3.37Å; Y299-G302 VanDerWaalsContact O-N 3.08Å; N300-G302 VanDerWaalsContact C-N 3.34Å
303E91.9Very high89.8Confident98 Ų9867.1 Ų67.146%0.45835%0.347SS..  trans-74.4145.5171.1-65.6174.2-12800110R298 V305R298-E303 HydrophobicContact CB-CB 4.08Å; R298-E303 HydrophobicContact CG-CB 4.41Å; R298-E303 PolarHBondContact O-N 3.5Å; E303-V305 PolarHBondContact O-N 3.29Å
304E90Very high90.1Very high173 Ų17361 Ų6181%0.80832%0.321SS*.  trans-65.1134.6174.1-171.4179.2-176.700109.7R298R298-E304 PolarHBondContact NH2-O 3.5Å
305V93.1Very high90.2Very high14 Ų1457.4 Ų57.49%0.08530%0.302CS..  trans-113.5119.4177.81770000108.9V295 R298 Y299 E303 F307 M310V295-V305 HydrophobicContact CG1-CG1 3.92Å; R298-V305 HydrophobicContact CB-CG2 3.81Å; Y299-V305 HydrophobicContact CD1-CG2 4.02Å; Y299-V305 HydrophobicContact CD2-CG2 3.91Å; Y299-V305 HydrophobicContact CE1-CB 4Å; Y299-V305 HydrophobicContact CE1-CG2 3.94Å; Y299-V305 HydrophobicContact CE2-CB 3.97Å; Y299-V305 HydrophobicContact CE2-CG1 3.9Å; Y299-V305 HydrophobicContact CE2-CG2 3.84Å; Y299-V305 HydrophobicContact CG-CG2 3.99Å; E303-V305 PolarHBondContact O-N 3.29Å; V305-F307 HydrophobicContact CG1-CD2 4.44Å; V305-F307 HydrophobicContact CG1-CE1 4.26Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CZ 3.94Å; V305-M310 HydrophobicContact CG1-CE 4.13Å
306S90.4Very high90.3Very high29 Ų2957.4 Ų57.420%0.20330%0.302CS..  trans-116.1106.5176.9-173.20000109.8S308 Q309S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 2.98Å; S306-S308 PolarHBondContact OG-OG 2.96Å; S306-Q309 PolarHBondContact O-N 3.25Å
307F89.9Confident90.5Very high9 Ų955.9 Ų55.94%0.03930%0.295CS..G310 helixtrans-70.9-21.9179.1-68.3-74.2000113D267 T268 F271 V295 Y299 V305 Q309 M310 A316 I319D267-F307 HydrophobicContact CB-CE2 4.2Å; T268-F307 HydrophobicContact CG2-CE1 4.47Å; T268-F307 HydrophobicContact CG2-CE2 3.6Å; T268-F307 HydrophobicContact CG2-CZ 3.52Å; F271-F307 HydrophobicContact CB-CB 4.08Å; F271-F307 HydrophobicContact CB-CD2 4.28Å; F271-F307 HydrophobicContact CD1-CB 3.57Å; F271-F307 HydrophobicContact CD1-CG 4.16Å; F271-F307 HydrophobicContact CD2-CB 3.62Å; F271-F307 HydrophobicContact CE1-CB 3.79Å; F271-F307 HydrophobicContact CE2-CB 3.86Å; F271-F307 HydrophobicContact CG-CB 3.45Å; F271-F307 VanDerWaalsContact CG-CB 3.45Å; F271-F307 HydrophobicContact CG-CD2 4.49Å; F271-F307 HydrophobicContact CG-CG 4.24Å; F271-F307 HydrophobicContact CZ-CB 3.93Å; V295-F307 HydrophobicContact CG1-CE1 4.2Å; V295-F307 HydrophobicContact CG1-CZ 4.24Å; Y299-F307 HydrophobicContact CE2-CZ 4.18Å; Y299-F307 WeakPolarHBondContact OH-CE2 3.16Å; V305-F307 HydrophobicContact CG1-CD2 4.44Å; V305-F307 HydrophobicContact CG1-CE1 4.26Å; V305-F307 HydrophobicContact CG1-CE2 4.04Å; V305-F307 HydrophobicContact CG1-CZ 3.94Å; F307-Q309 PolarHBondContact O-N 3.32Å; F307-M310 HydrophobicContact CD1-SD 3.81Å; F307-M310 HydrophobicContact CE1-SD 4.34Å; F307-M310 WeakPolarHBondContact O-CB 3.24Å; F307-M310 PolarHBondContact O-N 2.93Å; F307-A316 HydrophobicContact CD1-CB 3.73Å; F307-A316 HydrophobicContact CD2-CB 4.37Å; F307-A316 HydrophobicContact CE1-CB 3.91Å; F307-A316 HydrophobicContact CG-CB 3.99Å; F307-A316 HydrophobicContact CZ-CB 4.31Å; F307-I319 HydrophobicContact CE1-CG1 4.44Å; F307-I319 HydrophobicContact CZ-CB 4.49Å; F307-I319 HydrophobicContact CZ-CG2 4.26Å
308S84.9Confident90.7Very high93 Ų9351.8 Ų51.865%0.6528%0.277SS*.G310 helixtrans-67.4-19.8177.257.40000113.7S306 M310S306-S308 VanDerWaalsContact C-N 3.27Å; S306-S308 PolarHBondContact O-N 2.98Å; S306-S308 PolarHBondContact OG-OG 2.96Å; S308-M310 VanDerWaalsContact C-N 3.3Å
309Q82.1Confident91Very high153 Ų15349.4 Ų49.472%0.71527%0.268SS*.G310 helixtrans-86-4.2174.3-61176.6600112.6S306 F307S306-Q309 PolarHBondContact O-N 3.25Å; F307-Q309 PolarHBondContact O-N 3.32Å
310M82.3Confident91.1Very high40 Ų4049.1 Ų49.120%0.19727%0.267CS..SBendtrans-101.7140.9-176.6-57.6179-179.500110V295 V305 F307 S308 D312 L315V295-M310 HydrophobicContact CG2-CE 3.59Å; V295-M310 HydrophobicContact CG2-SD 3.98Å; V305-M310 HydrophobicContact CG1-CE 4.13Å; F307-M310 HydrophobicContact CD1-SD 3.81Å; F307-M310 HydrophobicContact CE1-SD 4.34Å; F307-M310 WeakPolarHBondContact O-CB 3.24Å; F307-M310 PolarHBondContact O-N 2.93Å; S308-M310 VanDerWaalsContact C-N 3.3Å; M310-D312 PolarHBondContact O-N 3.16Å; M310-L315 HydrophobicContact CB-CD2 4.45Å; M310-L315 HydrophobicContact CG-CD2 4.46Å; M310-L315 HydrophobicContact SD-CD2 3.42Å; M310-L315 WeakPolarHBondContact SD-CD2 3.43Å; M310-L315 HydrophobicContact SD-CG 4.39Å
311E79.9Confident91.4Very high205 Ų20549.7 Ų49.796%0.95827%0.269SS*.SBendtrans-74.2-25-176.4-64.8-178.417200113.5
312D88.2Confident91.5Very high47 Ų4748 Ų4825%0.25126%0.257SS..  trans-106.2105.7-172.1-176.89.9000112.3M310 H314 L315M310-D312 PolarHBondContact O-N 3.16Å; D312-H314 PolarHBondContact O-N 3.03Å; D312-H314 WeakPolarHBondContact OD1-CA 3.46Å; D312-H314 VanDerWaalsContact OD1-CB 3.23Å; D312-H314 WeakPolarHBondContact OD1-CB 3.32Å; D312-H314 IonicContact OD1-CD2 3.39Å; D312-H314 PolarHBondContact OD1-CD2 2.82Å; D312-H314 IonicContact OD1-CG 3.62Å; D312-H314 PolarHBondContact OD1-N 2.85Å; D312-L315 HydrophobicContact CB-CB 4.4Å; D312-L315 WeakPolarHBondContact O-CB 3.32Å; D312-L315 PolarHBondContact O-N 3.21Å
313V93.4Very high91.9Very high30 Ų3045.9 Ų45.918%0.18223%0.234CC..Hα-helixtrans-61.7-28.8175.8-176.60000112.1F271 L272 I279 I282 L315 A316F271-V313 HydrophobicContact CE1-CB 4.46Å; F271-V313 HydrophobicContact CE1-CG1 3.99Å; F271-V313 HydrophobicContact CZ-CG2 4.38Å; L272-V313 HydrophobicContact CD2-CG1 4.01Å; I279-V313 HydrophobicContact CG1-CB 4.35Å; I279-V313 HydrophobicContact CG1-CG1 3.98Å; I282-V313 HydrophobicContact CD1-CG1 4.37Å; V313-L315 PolarHBondContact O-N 3.19Å; V313-A316 PolarHBondContact O-N 3.06Å
314H94Very high92.2Very high13 Ų1341.2 Ų41.26%0.0621%0.212CC..Hα-helixtrans-68.2-18.7177.9-59-64.2000112.6I279 E280 R285 D312 A317 V318I279-H314 VanDerWaalsContact CG2-CE1 3.44Å; I279-H314 WeakPolarHBondContact CG2-CE1 3.38Å; E280-H314 PolarHBondContact O-CE1 2.95Å; R285-H314 WeakPolarHBondContact CD-NE2 3.45Å; R285-H314 PolarHBondContact NH1-NE2 3.09Å; D312-H314 PolarHBondContact O-N 3.03Å; D312-H314 WeakPolarHBondContact OD1-CA 3.46Å; D312-H314 VanDerWaalsContact OD1-CB 3.23Å; D312-H314 WeakPolarHBondContact OD1-CB 3.32Å; D312-H314 IonicContact OD1-CD2 3.39Å; D312-H314 PolarHBondContact OD1-CD2 2.82Å; D312-H314 IonicContact OD1-CG 3.62Å; D312-H314 PolarHBondContact OD1-N 2.85Å; H314-A317 PolarHBondContact O-N 3Å; H314-V318 WeakPolarHBondContact O-CG2 3.46Å; H314-V318 PolarHBondContact O-N 3.11Å
315L94.5Very high92.4Very high1 Ų138.4 Ų38.41%0.00519%0.194CC..Hα-helixtrans-59.9-48.8177.3-178.454.9000111.6A287 L291 V292 V295 M310 D312 V313 A317 V318 I319A287-L315 HydrophobicContact CB-CB 4.29Å; A287-L315 HydrophobicContact CB-CD1 4.14Å; L291-L315 HydrophobicContact CB-CD1 4.16Å; L291-L315 HydrophobicContact CB-CD2 3.96Å; L291-L315 HydrophobicContact CD1-CD2 4.39Å; V292-L315 HydrophobicContact CB-CD1 4.35Å; V292-L315 HydrophobicContact CG2-CD1 3.54Å; V295-L315 HydrophobicContact CG2-CD2 4.11Å; M310-L315 HydrophobicContact CB-CD2 4.45Å; M310-L315 HydrophobicContact CG-CD2 4.46Å; M310-L315 HydrophobicContact SD-CD2 3.42Å; M310-L315 WeakPolarHBondContact SD-CD2 3.43Å; M310-L315 HydrophobicContact SD-CG 4.39Å; D312-L315 HydrophobicContact CB-CB 4.4Å; D312-L315 WeakPolarHBondContact O-CB 3.32Å; D312-L315 PolarHBondContact O-N 3.21Å; V313-L315 PolarHBondContact O-N 3.19Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.22Å; L315-V318 PolarHBondContact O-N 3.19Å; L315-I319 HydrophobicContact CD1-CG1 4.16Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 3.37Å
316A97Very high92.4Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-59.1-41.1176.800000111.7T268 F271 L272 F307 V313 V318 I319 L320T268-A316 HydrophobicContact CG2-CB 4.35Å; T268-A316 WeakPolarHBondContact CG2-O 3.39Å; F271-A316 HydrophobicContact CD1-CB 3.55Å; F271-A316 HydrophobicContact CE1-CB 3.98Å; L272-A316 HydrophobicContact CD1-CB 4.23Å; L272-A316 HydrophobicContact CD2-CB 4.03Å; L272-A316 HydrophobicContact CG-CB 3.98Å; F307-A316 HydrophobicContact CD1-CB 3.73Å; F307-A316 HydrophobicContact CD2-CB 4.37Å; F307-A316 HydrophobicContact CE1-CB 3.91Å; F307-A316 HydrophobicContact CG-CB 3.99Å; F307-A316 HydrophobicContact CZ-CB 4.31Å; V313-A316 PolarHBondContact O-N 3.06Å; A316-V318 PolarHBondContact O-N 3.01Å; A316-I319 PolarHBondContact O-N 2.92Å; A316-L320 PolarHBondContact O-N 2.87Å
317A97.2Very high92.4Very high1 Ų140.2 Ų40.21%0.00820%0.199CC..Hα-helixtrans-65.7-37.5177.600000113.1L272 I282 F283 H314 L315 K321L272-A317 HydrophobicContact CD1-CB 4.11Å; L272-A317 HydrophobicContact CD2-CB 4.36Å; I282-A317 HydrophobicContact CD1-CB 3.62Å; I282-A317 HydrophobicContact CG1-CB 4.19Å; F283-A317 HydrophobicContact CD1-CB 3.55Å; F283-A317 HydrophobicContact CE1-CB 3.49Å; F283-A317 VanDerWaalsContact CE1-CB 3.49Å; F283-A317 HydrophobicContact CG-CB 4.21Å; F283-A317 HydrophobicContact CZ-CB 4.11Å; H314-A317 PolarHBondContact O-N 3Å; L315-A317 VanDerWaalsContact C-N 3.28Å; L315-A317 PolarHBondContact O-N 3.22Å; A317-K321 WeakPolarHBondContact O-CE 3.39Å; A317-K321 WeakPolarHBondContact O-CG 3.27Å; A317-K321 PolarHBondContact O-N 3.11Å
318V95.8Very high92.3Very high21 Ų2143.5 Ų43.513%0.12722%0.221CC..Hα-helixtrans-71.2-39.2174.6171.80000111.1A287 V292 H314 L315 A316 K321 T322A287-V318 HydrophobicContact CB-CB 4.02Å; A287-V318 HydrophobicContact CB-CG1 4.46Å; A287-V318 HydrophobicContact CB-CG2 3.75Å; V292-V318 HydrophobicContact CG1-CG1 4.48Å; V292-V318 HydrophobicContact CG2-CB 4.41Å; V292-V318 HydrophobicContact CG2-CG1 3.69Å; H314-V318 WeakPolarHBondContact O-CG2 3.46Å; H314-V318 PolarHBondContact O-N 3.11Å; L315-V318 PolarHBondContact O-N 3.19Å; A316-V318 PolarHBondContact O-N 3.01Å; V318-K321 PolarHBondContact O-N 2.98Å; V318-T322 VanDerWaalsContact O-CB 3.27Å; V318-T322 WeakPolarHBondContact O-CB 3.39Å; V318-T322 PolarHBondContact O-N 2.95Å; V318-T322 PolarHBondContact O-OG1 3.46Å
319I98Very high92.5Very high0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-62.6-46.8176.9-71.2-69.3000111F244 V264 T268 V292 V295 Q296 Y299 F307 L315 A316 K321 T322 F323F244-I319 HydrophobicContact CZ-CG2 4.05Å; V264-I319 HydrophobicContact CG1-CG2 3.82Å; T268-I319 HydrophobicContact CG2-CB 4.18Å; T268-I319 HydrophobicContact CG2-CG2 3.8Å; V292-I319 HydrophobicContact CB-CD1 4.43Å; V292-I319 HydrophobicContact CG1-CD1 3.99Å; V295-I319 HydrophobicContact CB-CD1 3.86Å; V295-I319 HydrophobicContact CB-CG1 4.31Å; V295-I319 HydrophobicContact CG1-CD1 3.73Å; V295-I319 HydrophobicContact CG1-CG1 3.9Å; V295-I319 HydrophobicContact CG1-CG2 4.4Å; Q296-I319 HydrophobicContact CG-CD1 4.2Å; Y299-I319 HydrophobicContact CE2-CG2 4.31Å; F307-I319 HydrophobicContact CE1-CG1 4.44Å; F307-I319 HydrophobicContact CZ-CB 4.49Å; F307-I319 HydrophobicContact CZ-CG2 4.26Å; L315-I319 HydrophobicContact CD1-CG1 4.16Å; L315-I319 WeakPolarHBondContact O-CB 3.44Å; L315-I319 VanDerWaalsContact O-CG1 3.28Å; L315-I319 WeakPolarHBondContact O-CG1 3.46Å; L315-I319 PolarHBondContact O-N 3.37Å; A316-I319 PolarHBondContact O-N 2.92Å; I319-K321 PolarHBondContact O-N 3.47Å; I319-T322 PolarHBondContact O-N 3.04Å; I319-T322 VanDerWaalsContact O-N 3.07Å; I319-F323 PolarHBondContact O-N 3.12Å
320L98.6Very high93.1Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-55.1-50.4176.4177.656.1000112M265 T268 V269 F283 A316 T322 F323 L324 L373 F376M265-L320 HydrophobicContact CB-CD1 4.31Å; M265-L320 HydrophobicContact CG-CD1 3.89Å; T268-L320 HydrophobicContact CG2-CB 4.38Å; V269-L320 HydrophobicContact CG2-CD2 3.95Å; F283-L320 HydrophobicContact CE1-CD2 4.02Å; F283-L320 HydrophobicContact CZ-CD2 4.3Å; A316-L320 PolarHBondContact O-N 2.87Å; L320-T322 VanDerWaalsContact C-N 3.28Å; L320-T322 PolarHBondContact O-N 3.14Å; L320-F323 PolarHBondContact O-N 3.42Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.45Å; L320-L373 HydrophobicContact CD2-CD1 4.03Å; L320-F376 HydrophobicContact CD2-CD1 4.47Å; L320-F376 HydrophobicContact CD2-CE1 4.04Å
321K97.9Very high93.8Very high29 Ų2933.8 Ų33.813%0.12617%0.165CC..Hα-helixtrans-64.1-35.1177.3-68.5-176.9-61.8170.80112.5F283 A317 V318 I319 R325 F398 N401F283-K321 HydrophobicContact CB-CD 4.47Å; F283-K321 HydrophobicContact CD1-CD 4.19Å; F283-K321 HydrophobicContact CD1-CG 4.22Å; F283-K321 PolarHBondContact O-NZ 2.67Å; A317-K321 WeakPolarHBondContact O-CE 3.39Å; A317-K321 WeakPolarHBondContact O-CG 3.27Å; A317-K321 PolarHBondContact O-N 3.11Å; V318-K321 PolarHBondContact O-N 2.98Å; I319-K321 PolarHBondContact O-N 3.47Å; K321-R325 WeakPolarHBondContact O-CB 3.42Å; K321-R325 PolarHBondContact O-N 3.42Å; K321-R325 PolarHBondContact O-NH1 3.19Å; K321-F398 HydrophobicContact CD-CZ 4.49Å; K321-F398 HydrophobicContact CG-CE1 3.93Å; K321-F398 HydrophobicContact CG-CZ 3.91Å; K321-N401 PolarHBondContact O-OD1 2.68Å
322T93.6Very high94.7Very high5 Ų524 Ų243%0.03112%0.119CC..Hα-helixtrans-70.6-40.6-179.2-59.70000111.1F244 V318 I319 L320 L324 R325 E326F244-T322 HydrophobicContact CE1-CG2 4.39Å; V318-T322 VanDerWaalsContact O-CB 3.27Å; V318-T322 WeakPolarHBondContact O-CB 3.39Å; V318-T322 PolarHBondContact O-N 2.95Å; V318-T322 PolarHBondContact O-OG1 3.46Å; I319-T322 PolarHBondContact O-N 3.04Å; I319-T322 VanDerWaalsContact O-N 3.07Å; L320-T322 VanDerWaalsContact C-N 3.28Å; L320-T322 PolarHBondContact O-N 3.14Å; T322-L324 PolarHBondContact O-N 3.43Å; T322-R325 PolarHBondContact O-N 2.95Å; T322-R325 PolarHBondContact OG1-NH2 2.92Å; T322-E326 HydrophobicContact CG2-CG 4.28Å; T322-E326 WeakPolarHBondContact CG2-OE1 3.23Å; T322-E326 WeakPolarHBondContact O-CB 3.47Å; T322-E326 WeakPolarHBondContact O-CG 3.41Å; T322-E326 PolarHBondContact O-N 3.06Å
323F98.2Very high94.9Very high2 Ų222.1 Ų22.11%0.00911%0.109CC..Hα-helixtrans-55.2-51.2172.1174.8-98.1000111.4Q243 F244 L248 L251 P262 V264 M265 I319 L320 R325 E326 L327Q243-F323 WeakPolarHBondContact O-CE2 3.47Å; F244-F323 HydrophobicContact CD1-CB 4.35Å; F244-F323 HydrophobicContact CD1-CD2 4.41Å; F244-F323 HydrophobicContact CE1-CB 3.79Å; F244-F323 HydrophobicContact CE1-CD2 4.36Å; F244-F323 HydrophobicContact CZ-CB 4.38Å; L248-F323 HydrophobicContact CD2-CE1 4.4Å; L248-F323 HydrophobicContact CD2-CZ 4.27Å; L251-F323 HydrophobicContact CD1-CE2 3.88Å; L251-F323 HydrophobicContact CD1-CZ 3.73Å; P262-F323 HydrophobicContact CB-CE1 4.01Å; P262-F323 HydrophobicContact CB-CE2 4.3Å; P262-F323 HydrophobicContact CB-CZ 3.51Å; P262-F323 HydrophobicContact CG-CE1 3.92Å; P262-F323 HydrophobicContact CG-CZ 3.63Å; V264-F323 HydrophobicContact CB-CD2 3.86Å; V264-F323 HydrophobicContact CB-CE2 4.28Å; V264-F323 HydrophobicContact CB-CG 4.12Å; V264-F323 HydrophobicContact CG1-CB 3.88Å; V264-F323 HydrophobicContact CG1-CD2 4.06Å; V264-F323 HydrophobicContact CG1-CG 4.01Å; V264-F323 HydrophobicContact CG2-CD2 4.05Å; V264-F323 HydrophobicContact CG2-CE2 4.34Å; M265-F323 HydrophobicContact CG-CD1 3.67Å; M265-F323 HydrophobicContact CG-CE1 3.65Å; M265-F323 HydrophobicContact SD-CD1 4.15Å; M265-F323 HydrophobicContact SD-CE1 3.75Å; I319-F323 PolarHBondContact O-N 3.12Å; L320-F323 PolarHBondContact O-N 3.42Å; F323-R325 PolarHBondContact O-N 3.19Å; F323-E326 PolarHBondContact O-N 2.8Å; F323-L327 HydrophobicContact CE1-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 PolarHBondContact O-N 3.02Å
324L97.9Very high94.6Very high0 Ų023.9 Ų23.90%011%0.113CC..Hα-helixtrans-59.5-44178.6-68170.2000112.7M265 L320 T322 E326 L327 L331 L373 F398 N401 W404M265-L324 HydrophobicContact CE-CD2 4.45Å; M265-L324 HydrophobicContact SD-CD2 4.25Å; L320-L324 WeakPolarHBondContact O-CG 3.38Å; L320-L324 PolarHBondContact O-N 3.45Å; T322-L324 PolarHBondContact O-N 3.43Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.38Å; L324-L327 WeakPolarHBondContact O-CG 3.47Å; L324-L327 PolarHBondContact O-N 3.08Å; L324-L331 HydrophobicContact CD2-CD2 3.93Å; L324-L373 HydrophobicContact CD1-CD1 4.45Å; L324-L373 HydrophobicContact CD1-CD2 3.7Å; L324-L373 HydrophobicContact CD2-CD2 4.47Å; L324-F398 HydrophobicContact CD1-CD1 4.12Å; L324-F398 HydrophobicContact CD1-CE1 3.89Å; L324-N401 HydrophobicContact CB-CB 4.12Å; L324-W404 WeakPolarHBondContact O-CH2 3.35Å
325R94.4Very high94.5Very high115 Ų11529.1 Ų29.143%0.43414%0.138SC..Hα-helixtrans-68.7-28.8-179.3-172.9168.759.5-102.2-3.8113.9K321 T322 F323 N401K321-R325 WeakPolarHBondContact O-CB 3.42Å; K321-R325 PolarHBondContact O-N 3.42Å; K321-R325 PolarHBondContact O-NH1 3.19Å; T322-R325 PolarHBondContact O-N 2.95Å; T322-R325 PolarHBondContact OG1-NH2 2.92Å; F323-R325 PolarHBondContact O-N 3.19Å; R325-N401 WeakPolarHBondContact CB-OD1 3.33Å; R325-N401 PolarHBondContact NH1-OD1 3.18Å
326E91.9Very high94.3Very high69 Ų6929.2 Ų29.232%0.32214%0.138SC..THydrogen-bonded Turntrans-91.80.5-178.2-70.3-177.7-164.600112.8G245 T322 F323 L324G245-E326 VanDerWaalsContact CA-O 3.24Å; G245-E326 WeakPolarHBondContact CA-O 3.41Å; G245-E326 PolarHBondContact N-O 3.38Å; T322-E326 HydrophobicContact CG2-CG 4.28Å; T322-E326 WeakPolarHBondContact CG2-OE1 3.23Å; T322-E326 WeakPolarHBondContact O-CB 3.47Å; T322-E326 WeakPolarHBondContact O-CG 3.41Å; T322-E326 PolarHBondContact O-N 3.06Å; F323-E326 PolarHBondContact O-N 2.8Å; L324-E326 VanDerWaalsContact C-N 3.32Å; L324-E326 PolarHBondContact O-N 3.38Å
327L91.1Very high93.9Very high11 Ų1130.4 Ų30.46%0.05814%0.143CC..SBendtrans-56.4140.6169.7-67.5175000110L248 F323 L324 E329 L331L248-L327 HydrophobicContact CD2-CD1 4.39Å; L248-L327 HydrophobicContact CD2-CD2 3.86Å; L248-L327 HydrophobicContact CG-CD2 4.28Å; F323-L327 HydrophobicContact CE1-CD2 4.23Å; F323-L327 HydrophobicContact CZ-CD2 4.05Å; F323-L327 PolarHBondContact O-N 3.02Å; L324-L327 WeakPolarHBondContact O-CG 3.47Å; L324-L327 PolarHBondContact O-N 3.08Å; L327-E329 WeakPolarHBondContact CB-O 3.38Å; L327-E329 PolarHBondContact O-N 3.34Å; L327-E329 VanDerWaalsContact O-N 3.11Å; L327-L331 HydrophobicContact CD1-CB 4.42Å
328P87.1Confident93.4Very high78 Ų7835.6 Ų35.651%0.50617%0.171SC..SBendtrans-57.7-26.5177.2-26.134.9000113.7
329E88.6Confident93.1Very high82 Ų8238.5 Ų38.538%0.38319%0.185SC..SBendtrans-134.5143.6175.2-173.6177.1-171.600108.7L327 T333 Y334L327-E329 WeakPolarHBondContact CB-O 3.38Å; L327-E329 PolarHBondContact O-N 3.34Å; L327-E329 VanDerWaalsContact O-N 3.11Å; E329-T333 WeakPolarHBondContact OE1-CA 3.45Å; E329-T333 WeakPolarHBondContact OE1-CB 3.45Å; E329-Y334 HydrophobicContact CB-CE2 4.39Å; E329-Y334 HydrophobicContact CG-CD2 3.63Å; E329-Y334 HydrophobicContact CG-CE2 3.79Å; E329-Y334 HydrophobicContact CG-CG 4.42Å; E329-Y334 PolarHBondContact OE1-N 2.94Å
330P95.3Very high92.8Very high0 Ų038.5 Ų38.50%019%0.185CC..  trans-53.4149.3174.919.5-32.6000112.6L332 T333 Y334 L402 L403 W404P330-L332 PolarHBondContact O-N 2.94Å; P330-T333 WeakPolarHBondContact O-CA 3.26Å; P330-T333 PolarHBondContact O-N 2.89Å; P330-Y334 VanDerWaalsContact CD-CZ 3.42Å; P330-Y334 HydrophobicContact CG-CD1 3.95Å; P330-Y334 HydrophobicContact CG-CE1 3.79Å; P330-Y334 HydrophobicContact CG-CE2 4.5Å; P330-Y334 HydrophobicContact CG-CG 4.37Å; P330-L402 WeakPolarHBondContact CB-O 3.38Å; P330-L403 HydrophobicContact CB-CD1 4.13Å; P330-L403 HydrophobicContact CG-CD1 3.98Å; P330-W404 VanDerWaalsContact CA-CH2 3.41Å; P330-W404 HydrophobicContact CB-CD2 4Å; P330-W404 HydrophobicContact CB-CE3 3.86Å; P330-W404 HydrophobicContact CB-CH2 3.96Å; P330-W404 HydrophobicContact CB-CZ2 4.08Å; P330-W404 HydrophobicContact CB-CZ3 3.83Å; P330-W404 HydrophobicContact CG-CD2 4.42Å; P330-W404 HydrophobicContact CG-CZ2 4.45Å
331L97.8Very high92.2Very high0 Ų039.9 Ų39.90%019%0.194CC..THydrogen-bonded Turntrans-57.7-35.4179.8-177.261.9000112.2L248 L324 L327 T333 N366 L370 L373 L402L248-L331 HydrophobicContact CD1-CD1 3.69Å; L324-L331 HydrophobicContact CD2-CD2 3.93Å; L327-L331 HydrophobicContact CD1-CB 4.42Å; L331-T333 PolarHBondContact O-N 3.38Å; L331-N366 HydrophobicContact CD1-CB 4.35Å; L331-N366 PolarHBondContact O-ND2 2.92Å; L331-L370 HydrophobicContact CD2-CB 4.04Å; L331-L370 HydrophobicContact CD2-CD1 3.95Å; L331-L370 HydrophobicContact CG-CB 4.35Å; L331-L373 HydrophobicContact CD2-CD2 4.37Å; L331-L402 HydrophobicContact CB-CD2 4.38Å; L331-L402 HydrophobicContact CD2-CD2 3.85Å; L331-L402 PolarHBondContact N-O 3.09Å
332L97.4Very high91.8Very high1 Ų142.4 Ų42.41%0.00521%0.209CC..THydrogen-bonded Turntrans-81.73.7175.6-67.6170.4000113.9P330 L336 I340 L359 L362 L370 L402 L403 F421P330-L332 PolarHBondContact O-N 2.94Å; L332-L336 WeakPolarHBondContact O-CB 3.48Å; L332-L336 WeakPolarHBondContact O-CD1 3.4Å; L332-L336 WeakPolarHBondContact O-CG 3.09Å; L332-I340 HydrophobicContact CB-CD1 3.94Å; L332-I340 HydrophobicContact CD1-CD1 3.9Å; L332-I340 HydrophobicContact CG-CD1 4.37Å; L332-L359 HydrophobicContact CD2-CD2 4.49Å; L332-L362 HydrophobicContact CD2-CD1 4.44Å; L332-L370 HydrophobicContact CD2-CD1 4.03Å; L332-L370 HydrophobicContact CD2-CD2 3.57Å; L332-L370 HydrophobicContact CD2-CG 4.44Å; L332-L402 WeakPolarHBondContact CB-O 3.31Å; L332-L402 HydrophobicContact CD1-CB 3.77Å; L332-L402 HydrophobicContact CG-CB 4.24Å; L332-L402 PolarHBondContact N-O 3.1Å; L332-L402 VanDerWaalsContact N-O 3.07Å; L332-L403 HydrophobicContact CB-CB 4.45Å; L332-L403 HydrophobicContact CB-CD1 4.24Å; L332-L403 HydrophobicContact CD1-CB 4.28Å; L332-F421 HydrophobicContact CD1-CD1 4.25Å; L332-F421 HydrophobicContact CD1-CE1 3.91Å; L332-F421 HydrophobicContact CD2-CE1 4.4Å
333T93.2Very high91.6Very high6 Ų642.2 Ų42.24%0.03721%0.207CC..THydrogen-bonded Turntrans61.3156.5-179.374.60000114.3E329 P330 L331 Q335 L362 L403E329-T333 WeakPolarHBondContact OE1-CA 3.45Å; E329-T333 WeakPolarHBondContact OE1-CB 3.45Å; P330-T333 WeakPolarHBondContact O-CA 3.26Å; P330-T333 PolarHBondContact O-N 2.89Å; L331-T333 PolarHBondContact O-N 3.38Å; T333-Q335 PolarHBondContact O-N 3.12Å; T333-L362 HydrophobicContact CG2-CD2 3.78Å; T333-L403 WeakPolarHBondContact O-CD1 3.46Å
334Y87.3Confident91.1Very high68 Ų6847.2 Ų47.227%0.26723%0.231SC..THydrogen-bonded Turntrans-72.1-20.4173.4-67-60.9000112.5E329 P330 L336 Y337 W404 Q406E329-Y334 HydrophobicContact CB-CE2 4.39Å; E329-Y334 HydrophobicContact CG-CD2 3.63Å; E329-Y334 HydrophobicContact CG-CE2 3.79Å; E329-Y334 HydrophobicContact CG-CG 4.42Å; E329-Y334 PolarHBondContact OE1-N 2.94Å; P330-Y334 VanDerWaalsContact CD-CZ 3.42Å; P330-Y334 HydrophobicContact CG-CD1 3.95Å; P330-Y334 HydrophobicContact CG-CE1 3.79Å; P330-Y334 HydrophobicContact CG-CE2 4.5Å; P330-Y334 HydrophobicContact CG-CG 4.37Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.27Å; Y334-Y337 VanDerWaalsContact O-CB 3.23Å; Y334-Y337 WeakPolarHBondContact O-CB 3.46Å; Y334-Y337 PolarHBondContact O-N 2.89Å; Y334-Y337 VanDerWaalsContact O-N 3.16Å; Y334-W404 WeakPolarHBondContact CE1-O 3.38Å; Y334-W404 PolarHBondContact OH-NE1 2.87Å; Y334-W404 VanDerWaalsContact OH-NE1 3.07Å; Y334-Q406 HydrophobicContact CD1-CG 4.21Å; Y334-Q406 HydrophobicContact CE1-CG 4.03Å
335Q91.4Very high90.7Very high122 Ų12252.4 Ų52.457%0.5726%0.258SS*.THydrogen-bonded Turntrans-60.1-39.2178.4-175.6174.51.800111.9T333 Y337T333-Q335 PolarHBondContact O-N 3.12Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 2.71Å
336L90.3Very high90.5Very high3 Ų348.8 Ų48.82%0.01625%0.249CC..THydrogen-bonded Turntrans-84.9-0.8-179.9-57.2-174.4000113.8L332 Y334 N338 D339 I340 M358 M361 L362L332-L336 WeakPolarHBondContact O-CB 3.48Å; L332-L336 WeakPolarHBondContact O-CD1 3.4Å; L332-L336 WeakPolarHBondContact O-CG 3.09Å; Y334-L336 VanDerWaalsContact C-N 3.28Å; Y334-L336 PolarHBondContact O-N 3.27Å; L336-N338 PolarHBondContact O-N 2.92Å; L336-D339 PolarHBondContact O-N 2.92Å; L336-I340 HydrophobicContact CB-CD1 3.69Å; L336-I340 HydrophobicContact CB-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.38Å; L336-M358 HydrophobicContact CD1-CB 4.19Å; L336-M358 WeakPolarHBondContact CD1-O 3.46Å; L336-M358 HydrophobicContact CD2-CB 4.13Å; L336-M361 HydrophobicContact CD2-CB 4.18Å; L336-L362 HydrophobicContact CD1-CD1 4.46Å; L336-L362 HydrophobicContact CD1-CD2 3.54Å; L336-L362 HydrophobicContact CD1-CG 3.87Å; L336-L362 HydrophobicContact CG-CD2 4.33Å
337Y89.9Confident90.5Very high26 Ų2651.3 Ų51.310%0.10227%0.265CS..Hα-helixtrans-57.1-52.2-169.7-177.8-89.2000112.5Y334 Q335 D339 I340 V341 L403 G405 M410 A414Y334-Y337 VanDerWaalsContact O-CB 3.23Å; Y334-Y337 WeakPolarHBondContact O-CB 3.46Å; Y334-Y337 PolarHBondContact O-N 2.89Å; Y334-Y337 VanDerWaalsContact O-N 3.16Å; Q335-Y337 VanDerWaalsContact C-N 3.31Å; Q335-Y337 PolarHBondContact O-N 2.71Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.32Å; Y337-I340 PolarHBondContact O-N 3.45Å; Y337-V341 HydrophobicContact CD1-CG2 4.11Å; Y337-V341 HydrophobicContact CE1-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CG2 4.3Å; Y337-V341 VanDerWaalsContact O-CG2 3.3Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 2.98Å; Y337-L403 HydrophobicContact CD2-CD1 3.95Å; Y337-L403 HydrophobicContact CD2-CD2 3.8Å; Y337-L403 HydrophobicContact CD2-CG 3.83Å; Y337-L403 HydrophobicContact CE2-CD2 4.37Å; Y337-L403 HydrophobicContact CE2-CG 4.36Å; Y337-L403 HydrophobicContact CG-CD2 4.47Å; Y337-G405 VanDerWaalsContact CE2-CA 3.44Å; Y337-M410 PolarHBondContact OH-O 3.32Å; Y337-M410 VanDerWaalsContact OH-O 3.11Å; Y337-A414 WeakPolarHBondContact OH-CB 3.41Å
338N85.9Confident90.5Very high110 Ų11055.7 Ų55.759%0.58830%0.296SS*.Hα-helixtrans-65.2-38-177.5-71.4-34.2000112.1L336 V341 N342L336-N338 PolarHBondContact O-N 2.92Å; N338-V341 PolarHBondContact O-N 3.36Å; N338-N342 WeakPolarHBondContact O-CB 3.33Å; N338-N342 PolarHBondContact O-N 2.83Å; N338-N342 PolarHBondContact O-ND2 2.81Å
339D89.4Confident90.7Very high82 Ų8257.6 Ų57.644%0.43931%0.311SS..Hα-helixtrans-66.7-41.4179.5-64-37000111.1L336 Y337 N342 F343 M358L336-D339 PolarHBondContact O-N 2.92Å; Y337-D339 VanDerWaalsContact C-N 3.33Å; Y337-D339 PolarHBondContact O-N 3.32Å; D339-N342 CarbonylContact O-C 3.53Å; D339-N342 PolarHBondContact O-N 2.92Å; D339-F343 PolarHBondContact O-N 3.19Å; D339-M358 HydrophobicContact CB-CE 3.75Å; D339-M358 HydrophobicContact CB-CG 4.29Å; D339-M358 HydrophobicContact CB-SD 3.93Å
340I92Very high90.9Very high0 Ų055.5 Ų55.50%031%0.308CS..Hα-helixtrans-67.9-43176.9-70.3166.2000111.3L332 L336 Y337 N342 F343 M358 L403 F421L332-I340 HydrophobicContact CB-CD1 3.94Å; L332-I340 HydrophobicContact CD1-CD1 3.9Å; L332-I340 HydrophobicContact CG-CD1 4.37Å; L336-I340 HydrophobicContact CB-CD1 3.69Å; L336-I340 HydrophobicContact CB-CG1 4.28Å; L336-I340 WeakPolarHBondContact O-CB 3.4Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 3.38Å; Y337-I340 PolarHBondContact O-N 3.45Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.93Å; I340-F343 WeakPolarHBondContact O-CB 3.41Å; I340-F343 PolarHBondContact O-N 2.98Å; I340-M358 HydrophobicContact CG1-SD 4.23Å; I340-L403 HydrophobicContact CB-CD2 3.8Å; I340-L403 HydrophobicContact CD1-CD2 3.79Å; I340-L403 HydrophobicContact CG1-CD2 4.4Å; I340-L403 HydrophobicContact CG2-CD2 3.58Å; I340-F421 HydrophobicContact CB-CG 4.45Å; I340-F421 HydrophobicContact CD1-CD1 4.37Å; I340-F421 HydrophobicContact CD1-CE1 4.05Å; I340-F421 HydrophobicContact CD1-CZ 4.26Å; I340-F421 HydrophobicContact CG1-CD1 4.16Å; I340-F421 HydrophobicContact CG1-CD2 4.11Å; I340-F421 HydrophobicContact CG1-CE1 4.05Å; I340-F421 HydrophobicContact CG1-CE2 3.97Å; I340-F421 HydrophobicContact CG1-CG 4.2Å; I340-F421 HydrophobicContact CG1-CZ 3.95Å; I340-F421 HydrophobicContact CG2-CB 3.8Å; I340-F421 HydrophobicContact CG2-CD1 3.97Å; I340-F421 HydrophobicContact CG2-CD2 4.28Å; I340-F421 HydrophobicContact CG2-CG 3.75Å
341V86.8Confident90.8Very high29 Ų2957.7 Ų57.718%0.17632%0.318CS..Hα-helixtrans-64.1-37.2178.21720000111.5Y337 N338 F343 H344 A414 P417Y337-V341 HydrophobicContact CD1-CG2 4.11Å; Y337-V341 HydrophobicContact CE1-CG2 3.72Å; Y337-V341 HydrophobicContact CE2-CG2 4.3Å; Y337-V341 VanDerWaalsContact O-CG2 3.3Å; Y337-V341 WeakPolarHBondContact O-CG2 3.47Å; Y337-V341 PolarHBondContact O-N 2.98Å; N338-V341 PolarHBondContact O-N 3.36Å; V341-F343 VanDerWaalsContact C-N 3.32Å; V341-H344 PolarHBondContact O-CE1 2.98Å; V341-H344 PolarHBondContact O-ND1 3.29Å; V341-A414 HydrophobicContact CG1-CB 4.44Å; V341-A414 HydrophobicContact CG2-CB 3.63Å; V341-P417 WeakPolarHBondContact O-CB 3.45Å
342N87.9Confident90.7Very high82 Ų8258.7 Ų58.744%0.43932%0.324SS..G310 helixtrans-87.51.6178.6-66.4-51.4000113.8N338 D339 I340 H344 N345N338-N342 WeakPolarHBondContact O-CB 3.33Å; N338-N342 PolarHBondContact O-N 2.83Å; N338-N342 PolarHBondContact O-ND2 2.81Å; D339-N342 CarbonylContact O-C 3.53Å; D339-N342 PolarHBondContact O-N 2.92Å; I340-N342 VanDerWaalsContact C-N 3.29Å; I340-N342 PolarHBondContact O-N 2.93Å; N342-H344 PolarHBondContact O-N 3.1Å; N342-N345 WeakPolarHBondContact O-CB 3.3Å; N342-N345 PolarHBondContact O-N 3.29Å
343F90.9Very high90.6Very high1 Ų162.3 Ų62.30%0.00435%0.346CS..G310 helixtrans-57.8-27.2-176.5-177.4-107.5000114D339 I340 V341 N345 V346 K351 A354 I355 M358 F421 T424D339-F343 PolarHBondContact O-N 3.19Å; I340-F343 WeakPolarHBondContact O-CB 3.41Å; I340-F343 PolarHBondContact O-N 2.98Å; V341-F343 VanDerWaalsContact C-N 3.32Å; F343-N345 PolarHBondContact O-N 2.85Å; F343-N345 VanDerWaalsContact O-N 3.15Å; F343-V346 HydrophobicContact CD2-CB 4.42Å; F343-V346 HydrophobicContact CD2-CG2 4.09Å; F343-V346 HydrophobicContact CE2-CB 4.49Å; F343-V346 WeakPolarHBondContact O-CB 3.36Å; F343-V346 PolarHBondContact O-N 2.83Å; F343-K351 HydrophobicContact CE1-CD 4.14Å; F343-K351 HydrophobicContact CE1-CG 4.36Å; F343-K351 HydrophobicContact CE2-CB 4.4Å; F343-K351 HydrophobicContact CE2-CG 4.27Å; F343-K351 HydrophobicContact CZ-CB 3.87Å; F343-K351 HydrophobicContact CZ-CD 3.97Å; F343-K351 HydrophobicContact CZ-CG 3.73Å; F343-A354 HydrophobicContact CE2-CB 4.4Å; F343-I355 HydrophobicContact CE2-CD1 4.19Å; F343-I355 HydrophobicContact CE2-CG1 3.7Å; F343-I355 HydrophobicContact CZ-CD1 3.73Å; F343-I355 HydrophobicContact CZ-CG1 3.78Å; F343-M358 HydrophobicContact CD2-CE 4.06Å; F343-F421 HydrophobicContact CB-CD2 4.15Å; F343-F421 HydrophobicContact CD1-CB 4.24Å; F343-F421 AromaticContact CD1-CD2 3.86Å; F343-F421 HydrophobicContact CD1-CD2 3.86Å; F343-F421 AromaticContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CE2 4.29Å; F343-F421 HydrophobicContact CE1-CD2 4.22Å; F343-F421 HydrophobicContact CE2-CD2 4.31Å; F343-F421 HydrophobicContact CE2-CE2 4.47Å; F343-F421 AromaticContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CE2 4.49Å; F343-F421 HydrophobicContact CZ-CD2 4.43Å; F343-T424 HydrophobicContact CE1-CG2 3.91Å; F343-T424 HydrophobicContact CZ-CG2 3.99Å
344H87.9Confident90.8Very high107 Ų10763 Ų6350%0.49535%0.352SS..G310 helixtrans-62.3-1917667.8-84.7000113.8V341 N342V341-H344 PolarHBondContact O-CE1 2.98Å; V341-H344 PolarHBondContact O-ND1 3.29Å; N342-H344 PolarHBondContact O-N 3.1Å
345N89.2Confident91.2Very high109 Ų10959.7 Ų59.758%0.58334%0.339SS*.G310 helixtrans-85.5-6.4175.8-62.3-43.4000113.2N342 F343N342-N345 WeakPolarHBondContact O-CB 3.3Å; N342-N345 PolarHBondContact O-N 3.29Å; F343-N345 PolarHBondContact O-N 2.85Å; F343-N345 VanDerWaalsContact O-N 3.15Å
346V90.5Very high91.5Very high39 Ų3957.3 Ų57.324%0.23633%0.328CS..SBendtrans-80.2128.9178.7-178.70000109.9F343 A350 K351 A354F343-V346 HydrophobicContact CD2-CB 4.42Å; F343-V346 HydrophobicContact CD2-CG2 4.09Å; F343-V346 HydrophobicContact CE2-CB 4.49Å; F343-V346 WeakPolarHBondContact O-CB 3.36Å; F343-V346 PolarHBondContact O-N 2.83Å; V346-A350 HydrophobicContact CG1-CB 4.11Å; V346-K351 HydrophobicContact CB-CG 4.45Å; V346-K351 HydrophobicContact CG1-CG 4.12Å; V346-K351 VanDerWaalsContact O-CE 3.32Å; V346-K351 WeakPolarHBondContact O-CE 3.34Å; V346-A354 HydrophobicContact CG1-CB 3.93Å; V346-A354 HydrophobicContact CG2-CB 4.48Å
347D91.1Very high91.7Very high122 Ų12262.1 Ų62.165%0.65235%0.353SS*.  trans-58.1141176.8-69.5-37.8000111.9S349 A350 K351D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.09Å; D347-A350 PolarHBondContact O-N 2.77Å; D347-K351 PolarHBondContact O-N 2.76Å
348S89.9Confident91.9Very high102 Ų10261.8 Ų61.871%0.71335%0.353SS*.G310 helixtrans-53.2-36.2-175.6-62.20000114A350S348-A350 VanDerWaalsContact C-N 3.3Å; S348-A350 PolarHBondContact O-N 3.4Å
349S91.5Very high92.4Very high118 Ų11856.8 Ų56.883%0.82533%0.326SS*.G310 helixtrans-72.9-19.4178.554.60000114.1D347D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.09Å
350A93.8Very high92.7Very high39 Ų3956.7 Ų56.732%0.32234%0.337SS..G310 helixtrans-103.9-4.3-178.100000113.1V346 D347 S348 V352 T353 A354V346-A350 HydrophobicContact CG1-CB 4.11Å; D347-A350 PolarHBondContact O-N 2.77Å; S348-A350 VanDerWaalsContact C-N 3.3Å; S348-A350 PolarHBondContact O-N 3.4Å; A350-V352 PolarHBondContact O-N 3.35Å; A350-T353 PolarHBondContact O-N 3.15Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.87Å
351K93.6Very high92.8Very high46 Ų4661.8 Ų61.820%0.236%0.362CS..Hα-helixtrans-58.2-45.9-175.2-78.4-173.2178-174.60113.5F343 V346 D347 A354 I355 T424F343-K351 HydrophobicContact CE1-CD 4.14Å; F343-K351 HydrophobicContact CE1-CG 4.36Å; F343-K351 HydrophobicContact CE2-CB 4.4Å; F343-K351 HydrophobicContact CE2-CG 4.27Å; F343-K351 HydrophobicContact CZ-CB 3.87Å; F343-K351 HydrophobicContact CZ-CD 3.97Å; F343-K351 HydrophobicContact CZ-CG 3.73Å; V346-K351 HydrophobicContact CB-CG 4.45Å; V346-K351 HydrophobicContact CG1-CG 4.12Å; V346-K351 VanDerWaalsContact O-CE 3.32Å; V346-K351 WeakPolarHBondContact O-CE 3.34Å; D347-K351 PolarHBondContact O-N 2.76Å; K351-A354 PolarHBondContact O-N 3.12Å; K351-I355 VanDerWaalsContact O-CG1 3.25Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.94Å; K351-T424 HydrophobicContact CD-CG2 4.19Å
352V95.4Very high93.2Very high21 Ų2161.2 Ų61.213%0.12736%0.358CS..Hα-helixtrans-61-51.4-179.6175.50000110.6A350 A354 I355 Q356 Q428 E431 V432A350-V352 PolarHBondContact O-N 3.35Å; V352-A354 VanDerWaalsContact C-N 3.33Å; V352-A354 PolarHBondContact O-N 3.03Å; V352-I355 PolarHBondContact O-N 2.8Å; V352-Q356 WeakPolarHBondContact O-CG 3.41Å; V352-Q356 PolarHBondContact O-N 3.01Å; V352-Q428 HydrophobicContact CG2-CB 4.2Å; V352-Q428 HydrophobicContact CG2-CG 4.21Å; V352-E431 HydrophobicContact CG1-CB 3.78Å; V352-E431 HydrophobicContact CG2-CB 4.38Å; V352-V432 HydrophobicContact CG1-CG2 4.25Å
353T95.4Very high93.6Very high76 Ų7659.9 Ų59.947%0.46635%0.354SS..Hα-helixtrans-61.4-40.1178.1-50.90000112.2A350 Q356 N357A350-T353 PolarHBondContact O-N 3.15Å; T353-Q356 PolarHBondContact O-N 2.91Å; T353-N357 VanDerWaalsContact O-CG 3.24Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 PolarHBondContact O-ND2 3.13Å
354A95.9Very high93.9Very high20 Ų2065.1 Ų65.117%0.16538%0.378CS..Hα-helixtrans-62.2-44.1176.100000111.7F343 V346 A350 K351 V352 N357 M358F343-A354 HydrophobicContact CE2-CB 4.4Å; V346-A354 HydrophobicContact CG1-CB 3.93Å; V346-A354 HydrophobicContact CG2-CB 4.48Å; A350-A354 WeakPolarHBondContact O-CB 3.33Å; A350-A354 PolarHBondContact O-N 2.87Å; K351-A354 PolarHBondContact O-N 3.12Å; V352-A354 VanDerWaalsContact C-N 3.33Å; V352-A354 PolarHBondContact O-N 3.03Å; A354-N357 PolarHBondContact O-N 3.29Å; A354-M358 HydrophobicContact CB-CE 4.45Å; A354-M358 VanDerWaalsContact O-CG 3.31Å; A354-M358 WeakPolarHBondContact O-CG 3.32Å; A354-M358 PolarHBondContact O-N 2.85Å; A354-M358 VanDerWaalsContact O-N 3.08Å
355I96.8Very high94.2Very high0 Ų061.2 Ų61.20%036%0.361CS..Hα-helixtrans-61.8-48.8175.3-66.4166.1000110.1F343 K351 V352 N357 M358 L359 F421 T424 L425 V432F343-I355 HydrophobicContact CE2-CD1 4.19Å; F343-I355 HydrophobicContact CE2-CG1 3.7Å; F343-I355 HydrophobicContact CZ-CD1 3.73Å; F343-I355 HydrophobicContact CZ-CG1 3.78Å; K351-I355 VanDerWaalsContact O-CG1 3.25Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.94Å; V352-I355 PolarHBondContact O-N 2.8Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.46Å; I355-M358 WeakPolarHBondContact O-CB 3.47Å; I355-M358 PolarHBondContact O-N 2.88Å; I355-M358 VanDerWaalsContact O-N 3.08Å; I355-L359 HydrophobicContact CG2-CD1 4.02Å; I355-L359 HydrophobicContact CG2-CG 4.03Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 3.11Å; I355-F421 HydrophobicContact CG1-CE2 3.89Å; I355-F421 HydrophobicContact CG1-CZ 4.48Å; I355-F421 HydrophobicContact CG2-CZ 4.47Å; I355-T424 HydrophobicContact CD1-CG2 3.97Å; I355-L425 HydrophobicContact CG2-CD1 3.74Å; I355-V432 HydrophobicContact CB-CG2 4.13Å; I355-V432 HydrophobicContact CD1-CG2 4.27Å; I355-V432 HydrophobicContact CG2-CB 4.37Å; I355-V432 HydrophobicContact CG2-CG1 3.53Å; I355-V432 HydrophobicContact CG2-CG2 3.84Å
356Q96.4Very high94.6Very high71 Ų7156.8 Ų56.833%0.33234%0.337SS..Hα-helixtrans-55.1-44.5178.7-73.6172.1-3000112.2V352 T353 M358 L359 A360 E431V352-Q356 WeakPolarHBondContact O-CG 3.41Å; V352-Q356 PolarHBondContact O-N 3.01Å; T353-Q356 PolarHBondContact O-N 2.91Å; Q356-M358 PolarHBondContact O-N 3.37Å; Q356-L359 PolarHBondContact O-N 2.92Å; Q356-A360 WeakPolarHBondContact O-CB 3.22Å; Q356-A360 PolarHBondContact O-N 3.2Å; Q356-E431 PolarHBondContact NE2-O 2.69Å
357N95.3Very high94.9Very high104 Ų10458.4 Ų58.456%0.55634%0.339SS*.Hα-helixtrans-63-41176.8-69.7-22.9000112.4T353 A354 I355T353-N357 VanDerWaalsContact O-CG 3.24Å; T353-N357 PolarHBondContact O-N 3.36Å; T353-N357 PolarHBondContact O-ND2 3.13Å; A354-N357 PolarHBondContact O-N 3.29Å; I355-N357 VanDerWaalsContact C-N 3.3Å; I355-N357 PolarHBondContact O-N 3.46Å
358M94.9Very high95.2Very high20 Ų2054.8 Ų54.810%0.09932%0.321CS..Hα-helixtrans-64.1-44.6175.2-67.9176.8-158.100111.1L336 D339 I340 F343 A354 I355 Q356 A360 M361 F421L336-M358 HydrophobicContact CD1-CB 4.19Å; L336-M358 WeakPolarHBondContact CD1-O 3.46Å; L336-M358 HydrophobicContact CD2-CB 4.13Å; D339-M358 HydrophobicContact CB-CE 3.75Å; D339-M358 HydrophobicContact CB-CG 4.29Å; D339-M358 HydrophobicContact CB-SD 3.93Å; I340-M358 HydrophobicContact CG1-SD 4.23Å; F343-M358 HydrophobicContact CD2-CE 4.06Å; A354-M358 HydrophobicContact CB-CE 4.45Å; A354-M358 VanDerWaalsContact O-CG 3.31Å; A354-M358 WeakPolarHBondContact O-CG 3.32Å; A354-M358 PolarHBondContact O-N 2.85Å; A354-M358 VanDerWaalsContact O-N 3.08Å; I355-M358 WeakPolarHBondContact O-CB 3.47Å; I355-M358 PolarHBondContact O-N 2.88Å; I355-M358 VanDerWaalsContact O-N 3.08Å; Q356-M358 PolarHBondContact O-N 3.37Å; M358-A360 VanDerWaalsContact C-N 3.31Å; M358-A360 PolarHBondContact O-N 3.3Å; M358-M361 WeakPolarHBondContact O-CB 3.42Å; M358-M361 PolarHBondContact O-N 2.85Å; M358-M361 VanDerWaalsContact O-N 3.17Å; M358-F421 HydrophobicContact SD-CE2 3.87Å; M358-F421 HydrophobicContact SD-CZ 4.43Å
359L96.1Very high95.6Very high4 Ų449.9 Ų49.92%0.02129%0.287CS..Hα-helixtrans-67.3-31-179.3-63.3-168.8000112.9L332 I355 Q356 M361 L362 Y367 L370 L425 V432 F433L332-L359 HydrophobicContact CD2-CD2 4.49Å; I355-L359 HydrophobicContact CG2-CD1 4.02Å; I355-L359 HydrophobicContact CG2-CG 4.03Å; I355-L359 WeakPolarHBondContact O-CG 3.3Å; I355-L359 PolarHBondContact O-N 3.11Å; Q356-L359 PolarHBondContact O-N 2.92Å; L359-M361 PolarHBondContact O-N 3.28Å; L359-L362 HydrophobicContact CD2-CD1 3.69Å; L359-L362 WeakPolarHBondContact O-CB 3.27Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.11Å; L359-Y367 HydrophobicContact CB-CD2 4.08Å; L359-Y367 HydrophobicContact CB-CE2 4Å; L359-Y367 HydrophobicContact CD1-CE2 4.36Å; L359-L370 HydrophobicContact CD2-CD2 3.5Å; L359-L425 HydrophobicContact CD1-CD1 4.26Å; L359-V432 HydrophobicContact CD1-CG1 3.42Å; L359-V432 VanDerWaalsContact CD1-CG1 3.42Å; L359-F433 HydrophobicContact CD1-CD1 4.3Å; L359-F433 HydrophobicContact CD1-CE1 3.54Å; L359-F433 HydrophobicContact CD1-CE2 4.43Å; L359-F433 HydrophobicContact CD1-CZ 3.62Å
360A95.3Very high95.9Very high81 Ų8144.3 Ų44.367%0.66925%0.248SC*.THydrogen-bonded Turntrans-65-18.7174.800000113.6Q356 M358Q356-A360 WeakPolarHBondContact O-CB 3.22Å; Q356-A360 PolarHBondContact O-N 3.2Å; M358-A360 VanDerWaalsContact C-N 3.31Å; M358-A360 PolarHBondContact O-N 3.3Å
361M93.9Very high96.1Very high107 Ų10745.5 Ų45.553%0.52725%0.246SC..THydrogen-bonded Turntrans-87-9.9176-61.7-65.1-63.800112.9L336 M358 L359L336-M361 HydrophobicContact CD2-CB 4.18Å; M358-M361 WeakPolarHBondContact O-CB 3.42Å; M358-M361 PolarHBondContact O-N 2.85Å; M358-M361 VanDerWaalsContact O-N 3.17Å; L359-M361 PolarHBondContact O-N 3.28Å
362L96.4Very high96.3Very high16 Ų1646.1 Ų46.18%0.08425%0.249CC..SBendtrans-71.9144.5179.9-71175.7000111.2L332 T333 L336 L359 N366 L370L332-L362 HydrophobicContact CD2-CD1 4.44Å; T333-L362 HydrophobicContact CG2-CD2 3.78Å; L336-L362 HydrophobicContact CD1-CD1 4.46Å; L336-L362 HydrophobicContact CD1-CD2 3.54Å; L336-L362 HydrophobicContact CD1-CG 3.87Å; L336-L362 HydrophobicContact CG-CD2 4.33Å; L359-L362 HydrophobicContact CD2-CD1 3.69Å; L359-L362 WeakPolarHBondContact O-CB 3.27Å; L359-L362 PolarHBondContact O-N 2.77Å; L359-L362 VanDerWaalsContact O-N 3.11Å; L362-N366 HydrophobicContact CB-CB 4.27Å; L362-N366 HydrophobicContact CD2-CB 4.33Å; L362-L370 HydrophobicContact CD1-CD2 3.9Å
363P96.4Very high96.5Very high55 Ų5545.1 Ų45.136%0.35724%0.243SC..  trans-55.5153164.3-22.632.6000111.8E365 N366 Y367P363-E365 VanDerWaalsContact C-N 3.3Å; P363-E365 PolarHBondContact O-N 3.09Å; P363-N366 HydrophobicContact CB-CB 4.4Å; P363-N366 WeakPolarHBondContact O-CB 3.18Å; P363-N366 PolarHBondContact O-N 3.46Å; P363-N366 VanDerWaalsContact O-N 3.11Å; P363-Y367 PolarHBondContact O-N 3.23Å
364E95.3Very high96.6Very high110 Ų11041.5 Ų41.551%0.51422%0.221SC..Hα-helixtrans-55.3-43.6-176.1-172.4-167159.300112.2R252 Y367 T368R252-E364 IonicContact CZ-OE1 2.68Å; R252-E364 IonicContact CZ-OE2 3.27Å; R252-E364 IonicContact NH1-OE1 3.82Å; R252-E364 PolarHBondContact NH1-OE1 2.85Å; R252-E364 IonicContact NH1-OE2 3.41Å; R252-E364 PolarHBondContact NH1-OE2 3.04Å; R252-E364 IonicContact NH2-OE1 2.92Å; R252-E364 PolarHBondContact NH2-OE1 3.47Å; R252-E364 IonicContact NH2-OE2 3.68Å; E364-Y367 PolarHBondContact O-N 3.34Å; E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.29Å; E364-T368 PolarHBondContact O-N 3.26Å; E364-T368 PolarHBondContact O-OG1 3.13Å
365E95.1Very high96.7Very high26 Ų2644.6 Ų44.612%0.12123%0.232CC..Hα-helixtrans-65.5-41.4180-61.677.9-170.500111.8L248 R252 P363 S369L248-E365 HydrophobicContact CB-CB 3.75Å; L248-E365 HydrophobicContact CB-CG 4.45Å; L248-E365 HydrophobicContact CD1-CB 4.36Å; R252-E365 HydrophobicContact CB-CG 4.37Å; R252-E365 WeakPolarHBondContact CD-OE1 3.2Å; R252-E365 IonicContact CZ-OE1 2.69Å; R252-E365 IonicContact NH1-OE1 3.88Å; R252-E365 PolarHBondContact NH1-OE1 3.24Å; P363-E365 VanDerWaalsContact C-N 3.3Å; P363-E365 PolarHBondContact O-N 3.09Å; E365-S369 WeakPolarHBondContact O-CB 3.49Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 3Å
366N97.8Very high96.8Very high15 Ų1544.7 Ų44.78%0.0823%0.232CC..Hα-helixtrans-66.1-49.1177.7-69.171.4000110.7L331 L362 P363 S369 L370L331-N366 HydrophobicContact CD1-CB 4.35Å; L331-N366 PolarHBondContact O-ND2 2.92Å; L362-N366 HydrophobicContact CB-CB 4.27Å; L362-N366 HydrophobicContact CD2-CB 4.33Å; P363-N366 HydrophobicContact CB-CB 4.4Å; P363-N366 WeakPolarHBondContact O-CB 3.18Å; P363-N366 PolarHBondContact O-N 3.46Å; P363-N366 VanDerWaalsContact O-N 3.11Å; N366-S369 PolarHBondContact O-N 3.3Å; N366-L370 WeakPolarHBondContact O-CB 3.45Å; N366-L370 PolarHBondContact O-N 2.98Å
367Y97.6Very high96.9Very high73 Ų7341.3 Ų41.329%0.28622%0.216SC..Hα-helixtrans-60.2-47.9178.6178-95.9000111.3L359 P363 E364 L370 K371 F433L359-Y367 HydrophobicContact CB-CD2 4.08Å; L359-Y367 HydrophobicContact CB-CE2 4Å; L359-Y367 HydrophobicContact CD1-CE2 4.36Å; P363-Y367 PolarHBondContact O-N 3.23Å; E364-Y367 PolarHBondContact O-N 3.34Å; Y367-L370 PolarHBondContact O-N 2.76Å; Y367-K371 HydrophobicContact CE1-CD 4.35Å; Y367-K371 WeakPolarHBondContact O-CB 3.35Å; Y367-K371 PolarHBondContact O-N 2.84Å; Y367-F433 HydrophobicContact CE2-CD1 4.21Å; Y367-F433 HydrophobicContact CE2-CE1 4.11Å
368T96.9Very high97Very high46 Ų4637.6 Ų37.628%0.28220%0.197SC..Hα-helixtrans-66.3-43.7-178.1-52.90000111.4A260 V261 E364 K371 F372A260-T368 HydrophobicContact CB-CG2 3.91Å; V261-T368 HydrophobicContact CG2-CG2 3.91Å; E364-T368 VanDerWaalsContact O-CB 3.29Å; E364-T368 WeakPolarHBondContact O-CB 3.29Å; E364-T368 PolarHBondContact O-N 3.26Å; E364-T368 PolarHBondContact O-OG1 3.13Å; T368-K371 PolarHBondContact O-N 3.35Å; T368-F372 WeakPolarHBondContact O-CB 3.43Å; T368-F372 PolarHBondContact O-N 3.37Å
369S97.9Very high97.1Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-65.5-38.3176.2-62.80000112.3A260 P262 M265 E365 N366 L373A260-S369 PolarHBondContact O-OG 2.93Å; P262-S369 WeakPolarHBondContact CD-OG 3.45Å; M265-S369 WeakPolarHBondContact CE-O 3.32Å; E365-S369 WeakPolarHBondContact O-CB 3.49Å; E365-S369 PolarHBondContact O-N 3.4Å; E365-S369 PolarHBondContact O-OG 3Å; N366-S369 PolarHBondContact O-N 3.3Å; S369-L373 WeakPolarHBondContact O-CB 3.27Å; S369-L373 PolarHBondContact O-N 3.01Å
370L98.4Very high97.3Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-65.9-48.5175.4-178.871.9000111L331 L332 L359 L362 N366 Y367 F372 L373 I374 L402 L425 F433L331-L370 HydrophobicContact CD2-CB 4.04Å; L331-L370 HydrophobicContact CD2-CD1 3.95Å; L331-L370 HydrophobicContact CG-CB 4.35Å; L332-L370 HydrophobicContact CD2-CD1 4.03Å; L332-L370 HydrophobicContact CD2-CD2 3.57Å; L332-L370 HydrophobicContact CD2-CG 4.44Å; L359-L370 HydrophobicContact CD2-CD2 3.5Å; L362-L370 HydrophobicContact CD1-CD2 3.9Å; N366-L370 WeakPolarHBondContact O-CB 3.45Å; N366-L370 PolarHBondContact O-N 2.98Å; Y367-L370 PolarHBondContact O-N 2.76Å; L370-F372 PolarHBondContact O-N 2.87Å; L370-L373 PolarHBondContact O-N 3.1Å; L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CG-CG1 4.22Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.23Å; L370-I374 PolarHBondContact O-N 2.8Å; L370-L402 HydrophobicContact CD1-CD2 4.23Å; L370-L425 HydrophobicContact CD1-CD2 4.34Å; L370-L425 HydrophobicContact CD2-CD2 4.36Å; L370-F433 HydrophobicContact CD2-CZ 4.38Å; L370-F433 HydrophobicContact CG-CZ 4.43Å
371K97.6Very high97.4Very high64 Ų6438.1 Ų38.128%0.27819%0.188SC..Hα-helixtrans-56.9-50.5177.6-179.9173.5175.2169.50110.8Y367 T368 L373 I374 E375 F433Y367-K371 HydrophobicContact CE1-CD 4.35Å; Y367-K371 WeakPolarHBondContact O-CB 3.35Å; Y367-K371 PolarHBondContact O-N 2.84Å; T368-K371 PolarHBondContact O-N 3.35Å; K371-L373 VanDerWaalsContact C-N 3.32Å; K371-L373 PolarHBondContact O-N 2.86Å; K371-I374 PolarHBondContact O-N 2.89Å; K371-E375 WeakPolarHBondContact CE-OE1 3.22Å; K371-E375 HydrophobicContact CG-CG 4.41Å; K371-E375 IonicContact NZ-OE1 3.94Å; K371-E375 WeakPolarHBondContact O-CB 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.48Å; K371-E375 PolarHBondContact O-N 3.03Å; K371-F433 HydrophobicContact CB-CD1 3.86Å; K371-F433 HydrophobicContact CB-CE1 3.79Å; K371-F433 HydrophobicContact CD-CB 4.43Å; K371-F433 HydrophobicContact CD-CD1 4Å; K371-F433 HydrophobicContact CG-CB 4.48Å; K371-F433 HydrophobicContact CG-CD1 3.74Å; K371-F433 HydrophobicContact CG-CE1 4.17Å; K371-F433 HydrophobicContact CG-CG 4.19Å
372F98.1Very high97.6Very high59 Ų5936.3 Ų36.326%0.25919%0.189SC..Hα-helixtrans-55.2-45.8176.6178.6-101.3000112.4V261 M265 V269 T368 L370 F376V261-F372 HydrophobicContact CG1-CB 4.47Å; V261-F372 HydrophobicContact CG1-CD1 3.57Å; V261-F372 HydrophobicContact CG1-CE1 3.85Å; V261-F372 HydrophobicContact CG1-CG 3.96Å; V261-F372 HydrophobicContact CG1-CZ 4.46Å; V261-F372 HydrophobicContact CG2-CB 3.95Å; V261-F372 HydrophobicContact CG2-CD2 4.45Å; V261-F372 HydrophobicContact CG2-CG 4.07Å; M265-F372 HydrophobicContact CB-CE1 4.38Å; M265-F372 HydrophobicContact CE-CD1 4.22Å; V269-F372 HydrophobicContact CB-CE1 3.71Å; V269-F372 HydrophobicContact CB-CZ 3.79Å; V269-F372 HydrophobicContact CG1-CE1 3.87Å; V269-F372 HydrophobicContact CG1-CE2 4.45Å; V269-F372 HydrophobicContact CG1-CZ 3.62Å; V269-F372 HydrophobicContact CG2-CD1 4.47Å; V269-F372 HydrophobicContact CG2-CE1 3.66Å; V269-F372 HydrophobicContact CG2-CZ 4.25Å; T368-F372 WeakPolarHBondContact O-CB 3.43Å; T368-F372 PolarHBondContact O-N 3.37Å; L370-F372 PolarHBondContact O-N 2.87Å; F372-F376 PolarHBondContact O-N 3.46Å
373L98.6Very high97.7Very high0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-64.6-47.2177.5177.967000112.1M265 L320 L324 L331 S369 L370 K371 F376 L377 F398 L402M265-L373 HydrophobicContact CE-CB 4.03Å; L320-L373 HydrophobicContact CD2-CD1 4.03Å; L324-L373 HydrophobicContact CD1-CD1 4.45Å; L324-L373 HydrophobicContact CD1-CD2 3.7Å; L324-L373 HydrophobicContact CD2-CD2 4.47Å; L331-L373 HydrophobicContact CD2-CD2 4.37Å; S369-L373 WeakPolarHBondContact O-CB 3.27Å; S369-L373 PolarHBondContact O-N 3.01Å; L370-L373 PolarHBondContact O-N 3.1Å; K371-L373 VanDerWaalsContact C-N 3.32Å; K371-L373 PolarHBondContact O-N 2.86Å; L373-F376 HydrophobicContact CD1-CD1 4.5Å; L373-F376 PolarHBondContact O-N 3.48Å; L373-L377 HydrophobicContact CD1-CD1 4.17Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CG-CD1 3.99Å; L373-L377 HydrophobicContact CG-CG 4.3Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.13Å; L373-L377 PolarHBondContact O-N 2.81Å; L373-F398 HydrophobicContact CD1-CE1 3.93Å; L373-F398 HydrophobicContact CD1-CZ 4.43Å; L373-F398 HydrophobicContact CD2-CD1 4.26Å; L373-F398 HydrophobicContact CD2-CE1 4.33Å; L373-L402 HydrophobicContact CD2-CD2 3.65Å
374I98.4Very high97.7Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-65.2-42.3-177-67-62.7000111L370 K371 F376 L377 V378 L425 L426 H429 F433L370-I374 HydrophobicContact CD1-CG1 4.11Å; L370-I374 HydrophobicContact CG-CG1 4.22Å; L370-I374 WeakPolarHBondContact O-CB 3.37Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.23Å; L370-I374 PolarHBondContact O-N 2.8Å; K371-I374 PolarHBondContact O-N 2.89Å; I374-F376 VanDerWaalsContact C-N 3.29Å; I374-F376 PolarHBondContact O-N 3.31Å; I374-L377 PolarHBondContact O-N 3.35Å; I374-V378 HydrophobicContact CG2-CG2 4.42Å; I374-V378 VanDerWaalsContact O-CG2 3.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.01Å; I374-L425 HydrophobicContact CD1-CD2 3.73Å; I374-L425 HydrophobicContact CD1-CG 4.03Å; I374-L425 HydrophobicContact CG1-CD2 3.9Å; I374-L425 HydrophobicContact CG1-CG 4.19Å; I374-L426 HydrophobicContact CD1-CD2 3.86Å; I374-L426 HydrophobicContact CD1-CG 4.4Å; I374-L426 HydrophobicContact CG2-CD2 4.22Å; I374-H429 HydrophobicContact CG2-CB 3.78Å; I374-F433 HydrophobicContact CB-CE2 3.99Å; I374-F433 HydrophobicContact CB-CZ 4.35Å; I374-F433 HydrophobicContact CG1-CE2 4.23Å; I374-F433 HydrophobicContact CG1-CZ 4.26Å; I374-F433 HydrophobicContact CG2-CD2 4.31Å; I374-F433 HydrophobicContact CG2-CE2 3.7Å
375E97.4Very high97.8Very high86 Ų8640.1 Ų40.140%0.40221%0.205SC..Hα-helixtrans-57.3-42.9174.8-74174.5171.200111.6K371 Q379K371-E375 WeakPolarHBondContact CE-OE1 3.22Å; K371-E375 HydrophobicContact CG-CG 4.41Å; K371-E375 IonicContact NZ-OE1 3.94Å; K371-E375 WeakPolarHBondContact O-CB 3.45Å; K371-E375 WeakPolarHBondContact O-CG 3.48Å; K371-E375 PolarHBondContact O-N 3.03Å; E375-Q379 PolarHBondContact O-N 3.23Å
376F98.5Very high97.9Very high2 Ų242.7 Ų42.71%0.00922%0.219CC..Hα-helixtrans-65.9-46.3174.6162.1-111.5000113.1V269 L272 M273 L277 F283 L320 F372 L373 I374 V378 Q379 V380V269-F376 HydrophobicContact CB-CG 4.43Å; V269-F376 HydrophobicContact CG1-CB 3.82Å; V269-F376 HydrophobicContact CG1-CD1 4.29Å; V269-F376 HydrophobicContact CG1-CD2 3.76Å; V269-F376 HydrophobicContact CG1-CE2 4.4Å; V269-F376 HydrophobicContact CG1-CG 3.68Å; V269-F376 HydrophobicContact CG2-CB 4.44Å; V269-F376 HydrophobicContact CG2-CD1 3.78Å; V269-F376 HydrophobicContact CG2-CE1 4.16Å; V269-F376 HydrophobicContact CG2-CG 4.02Å; L272-F376 HydrophobicContact CB-CE2 3.9Å; L272-F376 HydrophobicContact CB-CZ 3.63Å; L272-F376 HydrophobicContact CD1-CE1 4.49Å; L272-F376 HydrophobicContact CD1-CZ 4.01Å; L272-F376 HydrophobicContact CG-CZ 4.47Å; M273-F376 HydrophobicContact CE-CB 3.98Å; M273-F376 HydrophobicContact CE-CD2 3.54Å; M273-F376 HydrophobicContact CE-CG 4.24Å; M273-F376 HydrophobicContact CG-CD2 3.91Å; M273-F376 HydrophobicContact CG-CE2 4.18Å; M273-F376 HydrophobicContact SD-CD2 3.65Å; M273-F376 HydrophobicContact SD-CE2 4.11Å; L277-F376 HydrophobicContact CD2-CE2 4.42Å; F283-F376 HydrophobicContact CE1-CE1 4.45Å; F283-F376 AromaticContact CE2-CE1 3.89Å; F283-F376 HydrophobicContact CE2-CE1 3.89Å; F283-F376 AromaticContact CE2-CZ 3.93Å; F283-F376 HydrophobicContact CE2-CZ 3.93Å; F283-F376 AromaticContact CZ-CE1 3.42Å; F283-F376 HydrophobicContact CZ-CE1 3.42Å; F283-F376 VanDerWaalsContact CZ-CE1 3.42Å; F283-F376 AromaticContact CZ-CZ 3.63Å; F283-F376 HydrophobicContact CZ-CZ 3.63Å; L320-F376 HydrophobicContact CD2-CD1 4.47Å; L320-F376 HydrophobicContact CD2-CE1 4.04Å; F372-F376 PolarHBondContact O-N 3.46Å; L373-F376 HydrophobicContact CD1-CD1 4.5Å; L373-F376 PolarHBondContact O-N 3.48Å; I374-F376 VanDerWaalsContact C-N 3.29Å; I374-F376 PolarHBondContact O-N 3.31Å; F376-V378 PolarHBondContact O-N 3.43Å; F376-Q379 WeakPolarHBondContact O-CB 3.23Å; F376-Q379 PolarHBondContact O-N 2.84Å; F376-V380 HydrophobicContact CD2-CG2 4.2Å; F376-V380 HydrophobicContact CE1-CG2 4.11Å; F376-V380 HydrophobicContact CE2-CG2 3.66Å; F376-V380 HydrophobicContact CZ-CG2 3.6Å; F376-V380 PolarHBondContact O-N 2.8Å; F376-V380 VanDerWaalsContact O-N 3.08Å
377L98.5Very high97.9Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-63.4-30.7-179.3-68.6-178.8000112.6F283 L373 I374 V380 S381 L394 F398 L426F283-L377 HydrophobicContact CE2-CD2 4.17Å; F283-L377 HydrophobicContact CZ-CD2 4.46Å; L373-L377 HydrophobicContact CD1-CD1 4.17Å; L373-L377 HydrophobicContact CD1-CG 4.14Å; L373-L377 HydrophobicContact CG-CD1 3.99Å; L373-L377 HydrophobicContact CG-CG 4.3Å; L373-L377 VanDerWaalsContact O-CG 3.31Å; L373-L377 WeakPolarHBondContact O-CG 3.13Å; L373-L377 PolarHBondContact O-N 2.81Å; I374-L377 PolarHBondContact O-N 3.35Å; L377-V380 WeakPolarHBondContact O-CB 3.43Å; L377-V380 PolarHBondContact O-N 2.85Å; L377-S381 PolarHBondContact O-N 3.43Å; L377-L394 HydrophobicContact CB-CD1 4.42Å; L377-L394 HydrophobicContact CD2-CD2 4.4Å; L377-L394 WeakPolarHBondContact O-CD1 3.49Å; L377-F398 HydrophobicContact CD1-CB 4.42Å; L377-F398 HydrophobicContact CD1-CD1 4.04Å; L377-F398 HydrophobicContact CD1-CD2 3.74Å; L377-F398 HydrophobicContact CD1-CE1 4.23Å; L377-F398 HydrophobicContact CD1-CE2 3.96Å; L377-F398 HydrophobicContact CD1-CG 3.8Å; L377-F398 HydrophobicContact CD1-CZ 4.2Å; L377-F398 HydrophobicContact CD2-CD2 3.93Å; L377-F398 HydrophobicContact CD2-CE1 4.39Å; L377-F398 HydrophobicContact CD2-CE2 3.35Å; L377-F398 HydrophobicContact CD2-CZ 3.61Å; L377-F398 HydrophobicContact CG-CE2 4.3Å; L377-F398 HydrophobicContact CG-CZ 4.47Å; L377-L426 HydrophobicContact CB-CD2 3.64Å; L377-L426 HydrophobicContact CD1-CD2 4.29Å
378V97.9Very high97.8Very high25 Ų2543.5 Ų43.515%0.15222%0.223CC..Hα-helixtrans-63.6-42.6172.1168.70000110.8I374 F376 V380 S381 A382 L426 H429I374-V378 HydrophobicContact CG2-CG2 4.42Å; I374-V378 VanDerWaalsContact O-CG2 3.27Å; I374-V378 WeakPolarHBondContact O-CG2 3.19Å; I374-V378 PolarHBondContact O-N 3.01Å; F376-V378 PolarHBondContact O-N 3.43Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.11Å; V378-S381 PolarHBondContact O-N 3.15Å; V378-S381 VanDerWaalsContact O-N 3.15Å; V378-S381 PolarHBondContact O-OG 3.31Å; V378-A382 PolarHBondContact O-N 3.27Å; V378-L426 HydrophobicContact CG2-CD2 4.34Å; V378-H429 VanDerWaalsContact CG1-CE1 3.5Å; V378-H429 WeakPolarHBondContact CG1-CE1 3.49Å; V378-H429 HydrophobicContact CG2-CB 3.97Å; V378-H429 VanDerWaalsContact CG2-CG 3.45Å; V378-H429 WeakPolarHBondContact CG2-ND1 3.35Å
379Q98.1Very high97.8Very high99 Ų9941.5 Ų41.546%0.46321%0.211SC..Hα-helixtrans-63.2-38.5175.3-62.5-163.932.200112.2M273 L277 E375 F376 S381 A382M273-Q379 HydrophobicContact CE-CB 4.15Å; M273-Q379 HydrophobicContact CE-CG 4Å; M273-Q379 VanDerWaalsContact CE-NE2 3.29Å; M273-Q379 HydrophobicContact SD-CB 4.23Å; M273-Q379 PolarHBondContact SD-OE1 3.17Å; M273-Q379 VanDerWaalsContact SD-OE1 3.33Å; L277-Q379 HydrophobicContact CD2-CB 4.45Å; E375-Q379 PolarHBondContact O-N 3.23Å; F376-Q379 WeakPolarHBondContact O-CB 3.23Å; F376-Q379 PolarHBondContact O-N 2.84Å; Q379-S381 VanDerWaalsContact C-N 3.35Å; Q379-A382 WeakPolarHBondContact O-CB 3.43Å; Q379-A382 PolarHBondContact O-N 3.28Å
380V98.3Very high97.8Very high1 Ų144.6 Ų44.61%0.00623%0.227CC..Hα-helixtrans-60.2-46.7171.91780000110.5L277 I282 F283 F376 L377 V378 A382 Q383 N387 M389 L394L277-V380 HydrophobicContact CD2-CG2 3.89Å; I282-V380 HydrophobicContact CG2-CG1 3.8Å; F283-V380 HydrophobicContact CD2-CG1 4.43Å; F283-V380 HydrophobicContact CE2-CG1 4.33Å; F283-V380 HydrophobicContact CE2-CG2 4.04Å; F376-V380 HydrophobicContact CD2-CG2 4.2Å; F376-V380 HydrophobicContact CE1-CG2 4.11Å; F376-V380 HydrophobicContact CE2-CG2 3.66Å; F376-V380 HydrophobicContact CZ-CG2 3.6Å; F376-V380 PolarHBondContact O-N 2.8Å; F376-V380 VanDerWaalsContact O-N 3.08Å; L377-V380 WeakPolarHBondContact O-CB 3.43Å; L377-V380 PolarHBondContact O-N 2.85Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.11Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 2.77Å; V380-Q383 PolarHBondContact O-N 3.33Å; V380-N387 PolarHBondContact O-ND2 3.49Å; V380-M389 HydrophobicContact CG1-CB 4.37Å; V380-L394 HydrophobicContact CB-CD1 4.33Å; V380-L394 HydrophobicContact CG1-CD1 4.22Å; V380-L394 HydrophobicContact CG1-CD2 4.17Å
381S97.9Very high97.7Very high17 Ų1745.8 Ų45.812%0.11923%0.234CC..Hα-helixtrans-66.2-29.5-179.381.30000113.7L377 V378 Q379 Q383 S384 M389 N391L377-S381 PolarHBondContact O-N 3.43Å; V378-S381 PolarHBondContact O-N 3.15Å; V378-S381 VanDerWaalsContact O-N 3.15Å; V378-S381 PolarHBondContact O-OG 3.31Å; Q379-S381 VanDerWaalsContact C-N 3.35Å; S381-Q383 PolarHBondContact O-N 2.96Å; S381-S384 WeakPolarHBondContact O-CB 3.44Å; S381-S384 PolarHBondContact O-N 3.07Å; S381-S384 PolarHBondContact O-OG 2.92Å; S381-M389 WeakPolarHBondContact CA-O 3.2Å; S381-N391 WeakPolarHBondContact CB-OD1 3.45Å; S381-N391 PolarHBondContact OG-OD1 2.96Å; S381-N391 VanDerWaalsContact OG-OD1 3.06Å
382A97.9Very high97.7Very high68 Ų6845.8 Ų45.856%0.56224%0.239SC*.Hα-helixtrans-61.7-30.4176.300000111.5V378 Q379 V380V378-A382 PolarHBondContact O-N 3.27Å; Q379-A382 WeakPolarHBondContact O-CB 3.43Å; Q379-A382 PolarHBondContact O-N 3.28Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 2.77Å
383Q98.2Very high97.5Very high74 Ų7445.8 Ų45.835%0.34624%0.242SC..THydrogen-bonded Turntrans-95.420.6175.5-54.3-57.243.600114.1L277 V380 S381 E385 I386 N387L277-Q383 HydrophobicContact CB-CG 4.36Å; L277-Q383 WeakPolarHBondContact O-CB 3.37Å; V380-Q383 PolarHBondContact O-N 3.33Å; S381-Q383 PolarHBondContact O-N 2.96Å; Q383-E385 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact O-N 3.15Å; Q383-I386 PolarHBondContact O-N 2.88Å; Q383-N387 VanDerWaalsContact O-CG 3.27Å; Q383-N387 PolarHBondContact O-N 3.31Å; Q383-N387 PolarHBondContact O-ND2 3.02Å
384S97.6Very high97.4Very high30 Ų3045.8 Ų45.821%0.2124%0.242CC..Hα-helixtrans-63.2-20.2-176.959.20000115.2S381 I386 N387 K388S381-S384 WeakPolarHBondContact O-CB 3.44Å; S381-S384 PolarHBondContact O-N 3.07Å; S381-S384 PolarHBondContact O-OG 2.92Å; S384-I386 PolarHBondContact O-N 3.5Å; S384-N387 WeakPolarHBondContact CA-OD1 3.41Å; S384-K388 WeakPolarHBondContact O-CA 3.26Å; S384-K388 PolarHBondContact O-N 3.47Å
385E97.7Very high97.3Very high157 Ų15745.9 Ų45.973%0.73424%0.242SC*.Hα-helixtrans-63.9-30.6171.1-68.1-57.314600112.3Q383 K388Q383-E385 PolarHBondContact O-N 3.06Å; Q383-E385 VanDerWaalsContact O-N 3.15Å; E385-K388 PolarHBondContact O-NZ 3.19Å
386I97.4Very high97.1Very high80 Ų8045.7 Ų45.741%0.4125%0.247SC..Hα-helixtrans-95.6-60178.6-54.8174.1000109.5E278 Q383 S384 K388E278-I386 HydrophobicContact CB-CG2 3.99Å; E278-I386 HydrophobicContact CG-CD1 4.1Å; E278-I386 HydrophobicContact CG-CG2 4.4Å; E278-I386 WeakPolarHBondContact O-CG2 3.48Å; Q383-I386 PolarHBondContact O-N 2.88Å; S384-I386 PolarHBondContact O-N 3.5Å; I386-K388 VanDerWaalsContact C-N 3.28Å; I386-K388 PolarHBondContact O-N 3.23Å
387N97.1Very high96.8Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-77-10.3-172.570.738.1000114.2L277 I279 G281 I282 V380 Q383 S384 M389L277-N387 WeakPolarHBondContact O-CB 3.06Å; L277-N387 PolarHBondContact O-ND2 2.77Å; I279-N387 VanDerWaalsContact O-CB 3.3Å; I279-N387 WeakPolarHBondContact O-CB 3.37Å; G281-N387 PolarHBondContact N-O 3.22Å; I282-N387 HydrophobicContact CG2-CB 4.26Å; V380-N387 PolarHBondContact O-ND2 3.49Å; Q383-N387 VanDerWaalsContact O-CG 3.27Å; Q383-N387 PolarHBondContact O-N 3.31Å; Q383-N387 PolarHBondContact O-ND2 3.02Å; S384-N387 WeakPolarHBondContact CA-OD1 3.41Å; N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.45Å; N387-M389 WeakPolarHBondContact OD1-CA 3.43Å; N387-M389 VanDerWaalsContact OD1-CB 3.3Å; N387-M389 WeakPolarHBondContact OD1-CB 2.98Å; N387-M389 PolarHBondContact OD1-N 2.97Å
388K96.1Very high96.8Very high106 Ų10647 Ų4746%0.46126%0.255SS..  trans66.715.7179.7-45.8-55.4179.4-173.10115.8E280 S384 E385 I386 N393E280-K388 HydrophobicContact CG-CG 3.98Å; S384-K388 WeakPolarHBondContact O-CA 3.26Å; S384-K388 PolarHBondContact O-N 3.47Å; E385-K388 PolarHBondContact O-NZ 3.19Å; I386-K388 VanDerWaalsContact C-N 3.28Å; I386-K388 PolarHBondContact O-N 3.23Å; K388-N393 PolarHBondContact O-ND2 3.15Å
389M96.3Very high96.8Very high3 Ų345.8 Ų45.82%0.01525%0.248CC..  trans-112.277.4-176-62.3-61-60.900112.2I282 R284 V380 S381 N387 N393 L394 V397I282-M389 HydrophobicContact CG2-CG 4.13Å; I282-M389 WeakPolarHBondContact O-CE 3.44Å; I282-M389 VanDerWaalsContact O-CG 3.22Å; I282-M389 WeakPolarHBondContact O-CG 3.22Å; R284-M389 HydrophobicContact CB-CE 4.1Å; R284-M389 HydrophobicContact CB-SD 3.82Å; V380-M389 HydrophobicContact CG1-CB 4.37Å; S381-M389 WeakPolarHBondContact CA-O 3.2Å; N387-M389 VanDerWaalsContact C-N 3.27Å; N387-M389 PolarHBondContact O-N 3.45Å; N387-M389 WeakPolarHBondContact OD1-CA 3.43Å; N387-M389 VanDerWaalsContact OD1-CB 3.3Å; N387-M389 WeakPolarHBondContact OD1-CB 2.98Å; N387-M389 PolarHBondContact OD1-N 2.97Å; M389-N393 HydrophobicContact CE-CB 3.83Å; M389-N393 HydrophobicContact SD-CB 4.1Å; M389-L394 HydrophobicContact CB-CD2 4Å; M389-L394 HydrophobicContact CB-CG 4.18Å; M389-L394 HydrophobicContact CE-CD2 3.85Å; M389-L394 HydrophobicContact CE-CG 4.39Å; M389-V397 HydrophobicContact CE-CG2 4.24Å
390N97.1Very high96.6Very high65 Ų6543.1 Ų43.135%0.34824%0.239SC..  trans-71.8172.4170.365.634.3000112.3T392 N393 L394N390-T392 PolarHBondContact O-N 2.91Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 WeakPolarHBondContact OD1-CB 3.35Å; N390-T392 PolarHBondContact OD1-N 3.27Å; N390-T392 VanDerWaalsContact OD1-N 3.08Å; N390-N393 PolarHBondContact O-N 2.9Å; N390-N393 PolarHBondContact OD1-N 3.11Å; N390-L394 WeakPolarHBondContact O-CG 3.41Å; N390-L394 PolarHBondContact O-N 3.34Å
391N97.8Very high96.5Very high26 Ų2643.5 Ų43.514%0.13924%0.241CC..Hα-helixtrans-55-32.4-180-72.2-12.3000114.1S381 A395 R423 L426 D427S381-N391 WeakPolarHBondContact CB-OD1 3.45Å; S381-N391 PolarHBondContact OG-OD1 2.96Å; S381-N391 VanDerWaalsContact OG-OD1 3.06Å; N391-A395 WeakPolarHBondContact O-CB 3.31Å; N391-A395 PolarHBondContact O-N 3.01Å; N391-R423 HydrophobicContact CB-CG 4.46Å; N391-L426 HydrophobicContact CB-CB 4.05Å; N391-L426 HydrophobicContact CB-CD1 4.26Å; N391-D427 VanDerWaalsContact CB-OD1 3.29Å; N391-D427 WeakPolarHBondContact CB-OD1 3.26Å; N391-D427 PolarHBondContact ND2-OD1 3.08Å
392T96.8Very high96.4Very high63 Ų6342.7 Ų42.739%0.38724%0.236SC..Hα-helixtrans-68.6-45.9176.5-60.80000111N390 A395 V396 R423N390-T392 PolarHBondContact O-N 2.91Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 WeakPolarHBondContact OD1-CB 3.35Å; N390-T392 PolarHBondContact OD1-N 3.27Å; N390-T392 VanDerWaalsContact OD1-N 3.08Å; T392-A395 PolarHBondContact O-N 2.93Å; T392-V396 WeakPolarHBondContact O-CG2 3.5Å; T392-V396 PolarHBondContact O-N 3.41Å; T392-R423 WeakPolarHBondContact OG1-CD 3.17Å
393N93.1Very high96.3Very high59 Ų5939.5 Ų39.532%0.31621%0.209SC..Hα-helixtrans-66.1-41.6178.3-70.1-12.3000111.6K388 M389 N390 V396 V397K388-N393 PolarHBondContact O-ND2 3.15Å; M389-N393 HydrophobicContact CE-CB 3.83Å; M389-N393 HydrophobicContact SD-CB 4.1Å; N390-N393 PolarHBondContact O-N 2.9Å; N390-N393 PolarHBondContact OD1-N 3.11Å; N393-V396 PolarHBondContact O-N 3.07Å; N393-V397 PolarHBondContact O-N 3.29Å
394L96.8Very high95.9Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-63.6-43175.9-69.9173.9000111.5F283 L377 V380 M389 N390 V396 V397 F398 L426F283-L394 HydrophobicContact CD2-CD2 3.94Å; L377-L394 HydrophobicContact CB-CD1 4.42Å; L377-L394 HydrophobicContact CD2-CD2 4.4Å; L377-L394 WeakPolarHBondContact O-CD1 3.49Å; V380-L394 HydrophobicContact CB-CD1 4.33Å; V380-L394 HydrophobicContact CG1-CD1 4.22Å; V380-L394 HydrophobicContact CG1-CD2 4.17Å; M389-L394 HydrophobicContact CB-CD2 4Å; M389-L394 HydrophobicContact CB-CG 4.18Å; M389-L394 HydrophobicContact CE-CD2 3.85Å; M389-L394 HydrophobicContact CE-CG 4.39Å; N390-L394 WeakPolarHBondContact O-CG 3.41Å; N390-L394 PolarHBondContact O-N 3.34Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.87Å; L394-V397 WeakPolarHBondContact O-CG2 3.36Å; L394-V397 PolarHBondContact O-N 3.13Å; L394-V397 VanDerWaalsContact O-N 3.15Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 WeakPolarHBondContact O-CB 3.47Å; L394-F398 PolarHBondContact O-N 3.31Å; L394-L426 HydrophobicContact CB-CD1 4.04Å
395A96.9Very high95Very high2 Ų236.6 Ų36.62%0.01719%0.192CC..Hα-helixtrans-62-37.3178.100000113.2N391 T392 V397 G399 N419 T422 R423N391-A395 WeakPolarHBondContact O-CB 3.31Å; N391-A395 PolarHBondContact O-N 3.01Å; T392-A395 PolarHBondContact O-N 2.93Å; A395-V397 VanDerWaalsContact C-N 3.3Å; A395-V397 PolarHBondContact O-N 3.13Å; A395-G399 WeakPolarHBondContact O-CA 3.35Å; A395-G399 PolarHBondContact O-N 3.27Å; A395-N419 WeakPolarHBondContact CB-O 3.47Å; A395-N419 PolarHBondContact O-OD1 3.02Å; A395-T422 HydrophobicContact CB-CG2 4.03Å; A395-R423 HydrophobicContact CB-CB 3.62Å
396V92.4Very high93.9Very high82 Ų8236.5 Ų36.550%0.49719%0.191SC..Hα-helixtrans-62.6-37.8175.8169.70000111.9T392 N393 L394T392-V396 WeakPolarHBondContact O-CG2 3.5Å; T392-V396 PolarHBondContact O-N 3.41Å; N393-V396 PolarHBondContact O-N 3.07Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.87Å
397V93.6Very high92.8Very high30 Ų3035.1 Ų35.118%0.18219%0.185CC..Hα-helixtrans-87.6-27.3-178.6-60.20000113.1F283 M389 N393 L394 A395 N401F283-V397 HydrophobicContact CB-CG2 3.95Å; M389-V397 HydrophobicContact CE-CG2 4.24Å; N393-V397 PolarHBondContact O-N 3.29Å; L394-V397 WeakPolarHBondContact O-CG2 3.36Å; L394-V397 PolarHBondContact O-N 3.13Å; L394-V397 VanDerWaalsContact O-N 3.15Å; A395-V397 VanDerWaalsContact C-N 3.3Å; A395-V397 PolarHBondContact O-N 3.13Å; V397-N401 PolarHBondContact O-ND2 3.45Å
398F98.2Very high91.3Very high0 Ų038.9 Ų38.90%022%0.216CC..Hα-helixtrans-94.8-33.1-179.3-86.5-83.6000114.2F283 K321 L324 L373 L377 L394 N401 L402 T422F283-F398 HydrophobicContact CB-CE2 4.04Å; F283-F398 AromaticContact CD1-CE2 3.58Å; F283-F398 HydrophobicContact CD1-CE2 3.58Å; F283-F398 AromaticContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD1-CZ 3.51Å; F283-F398 HydrophobicContact CD2-CE2 4.03Å; F283-F398 HydrophobicContact CE1-CE2 4.07Å; F283-F398 AromaticContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE1-CZ 3.64Å; F283-F398 HydrophobicContact CE2-CE2 4.46Å; F283-F398 AromaticContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CE2 3.59Å; F283-F398 HydrophobicContact CG-CZ 4.02Å; F283-F398 HydrophobicContact CZ-CE2 4.49Å; F283-F398 HydrophobicContact CZ-CZ 4.24Å; K321-F398 HydrophobicContact CD-CZ 4.49Å; K321-F398 HydrophobicContact CG-CE1 3.93Å; K321-F398 HydrophobicContact CG-CZ 3.91Å; L324-F398 HydrophobicContact CD1-CD1 4.12Å; L324-F398 HydrophobicContact CD1-CE1 3.89Å; L373-F398 HydrophobicContact CD1-CE1 3.93Å; L373-F398 HydrophobicContact CD1-CZ 4.43Å; L373-F398 HydrophobicContact CD2-CD1 4.26Å; L373-F398 HydrophobicContact CD2-CE1 4.33Å; L377-F398 HydrophobicContact CD1-CB 4.42Å; L377-F398 HydrophobicContact CD1-CD1 4.04Å; L377-F398 HydrophobicContact CD1-CD2 3.74Å; L377-F398 HydrophobicContact CD1-CE1 4.23Å; L377-F398 HydrophobicContact CD1-CE2 3.96Å; L377-F398 HydrophobicContact CD1-CG 3.8Å; L377-F398 HydrophobicContact CD1-CZ 4.2Å; L377-F398 HydrophobicContact CD2-CD2 3.93Å; L377-F398 HydrophobicContact CD2-CE1 4.39Å; L377-F398 HydrophobicContact CD2-CE2 3.35Å; L377-F398 HydrophobicContact CD2-CZ 3.61Å; L377-F398 HydrophobicContact CG-CE2 4.3Å; L377-F398 HydrophobicContact CG-CZ 4.47Å; L394-F398 HydrophobicContact CD2-CE2 4.47Å; L394-F398 WeakPolarHBondContact O-CB 3.47Å; L394-F398 PolarHBondContact O-N 3.31Å; F398-N401 CarbonylContact O-C 3.48Å; F398-N401 WeakPolarHBondContact O-CA 3.16Å; F398-N401 PolarHBondContact O-N 3.21Å; F398-L402 HydrophobicContact CB-CD1 4.33Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.45Å; F398-T422 HydrophobicContact CB-CG2 4.39Å
399G96.6Very high89.7Confident0 Ų035.5 Ų35.50%021%0.207CC..Hα-helixtrans-42.9-56.1178.700000114.2A395 N401 L402 L403 I418 T422A395-G399 WeakPolarHBondContact O-CA 3.35Å; A395-G399 PolarHBondContact O-N 3.27Å; G399-N401 PolarHBondContact O-N 2.98Å; G399-L402 PolarHBondContact O-N 3.08Å; G399-L403 PolarHBondContact O-N 2.93Å; G399-I418 WeakPolarHBondContact O-CG2 3.28Å; G399-T422 WeakPolarHBondContact CA-OG1 3.01Å
400P94.4Very high88.5Confident42 Ų4238.4 Ų38.427%0.27322%0.222SC..Hα-helixtrans-70-9.5179.427.4-35.5000115.1I415P400-I415 HydrophobicContact CB-CD1 3.96Å; P400-I415 HydrophobicContact CG-CD1 4.32Å
401N95.8Very high87.3Confident10 Ų1036.5 Ų36.55%0.05321%0.213CC..Hα-helixtrans-98.3-9172.3-53.8-82.2000112K321 L324 R325 V397 F398 G399K321-N401 PolarHBondContact O-OD1 2.68Å; L324-N401 HydrophobicContact CB-CB 4.12Å; R325-N401 WeakPolarHBondContact CB-OD1 3.33Å; R325-N401 PolarHBondContact NH1-OD1 3.18Å; V397-N401 PolarHBondContact O-ND2 3.45Å; F398-N401 CarbonylContact O-C 3.48Å; F398-N401 WeakPolarHBondContact O-CA 3.16Å; F398-N401 PolarHBondContact O-N 3.21Å; G399-N401 PolarHBondContact O-N 2.98Å
402L97.8Very high86.2Confident0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-99.5-33.3177-64.9178.8000112.4P330 L331 L332 L370 L373 F398 G399 T422P330-L402 WeakPolarHBondContact CB-O 3.38Å; L331-L402 HydrophobicContact CB-CD2 4.38Å; L331-L402 HydrophobicContact CD2-CD2 3.85Å; L331-L402 PolarHBondContact N-O 3.09Å; L332-L402 WeakPolarHBondContact CB-O 3.31Å; L332-L402 HydrophobicContact CD1-CB 3.77Å; L332-L402 HydrophobicContact CG-CB 4.24Å; L332-L402 PolarHBondContact N-O 3.1Å; L332-L402 VanDerWaalsContact N-O 3.07Å; L370-L402 HydrophobicContact CD1-CD2 4.23Å; L373-L402 HydrophobicContact CD2-CD2 3.65Å; F398-L402 HydrophobicContact CB-CD1 4.33Å; F398-L402 WeakPolarHBondContact O-CG 3.48Å; F398-L402 PolarHBondContact O-N 3.45Å; G399-L402 PolarHBondContact O-N 3.08Å; L402-T422 HydrophobicContact CD1-CG2 3.7Å
403L95.8Very high85.1Confident0 Ų042.4 Ų42.40%025%0.249CC..  trans-147.4136.7175.8-169.968.5000110.7P330 L332 T333 Y337 I340 G399 I418P330-L403 HydrophobicContact CB-CD1 4.13Å; P330-L403 HydrophobicContact CG-CD1 3.98Å; L332-L403 HydrophobicContact CB-CB 4.45Å; L332-L403 HydrophobicContact CB-CD1 4.24Å; L332-L403 HydrophobicContact CD1-CB 4.28Å; T333-L403 WeakPolarHBondContact O-CD1 3.46Å; Y337-L403 HydrophobicContact CD2-CD1 3.95Å; Y337-L403 HydrophobicContact CD2-CD2 3.8Å; Y337-L403 HydrophobicContact CD2-CG 3.83Å; Y337-L403 HydrophobicContact CE2-CD2 4.37Å; Y337-L403 HydrophobicContact CE2-CG 4.36Å; Y337-L403 HydrophobicContact CG-CD2 4.47Å; I340-L403 HydrophobicContact CB-CD2 3.8Å; I340-L403 HydrophobicContact CD1-CD2 3.79Å; I340-L403 HydrophobicContact CG1-CD2 4.4Å; I340-L403 HydrophobicContact CG2-CD2 3.58Å; G399-L403 PolarHBondContact O-N 2.93Å; L403-I418 HydrophobicContact CB-CG2 4.27Å; L403-I418 HydrophobicContact CD2-CD1 4.4Å; L403-I418 HydrophobicContact CD2-CG1 4.14Å; L403-I418 HydrophobicContact CG-CD1 4.48Å
404W88.6Confident84.7Confident39 Ų3939.7 Ų39.715%0.14824%0.235CC..  trans-140156.2168.65686.8000109.2L324 P330 Y334 T411L324-W404 WeakPolarHBondContact O-CH2 3.35Å; P330-W404 VanDerWaalsContact CA-CH2 3.41Å; P330-W404 HydrophobicContact CB-CD2 4Å; P330-W404 HydrophobicContact CB-CE3 3.86Å; P330-W404 HydrophobicContact CB-CH2 3.96Å; P330-W404 HydrophobicContact CB-CZ2 4.08Å; P330-W404 HydrophobicContact CB-CZ3 3.83Å; P330-W404 HydrophobicContact CG-CD2 4.42Å; P330-W404 HydrophobicContact CG-CZ2 4.45Å; Y334-W404 WeakPolarHBondContact CE1-O 3.38Å; Y334-W404 PolarHBondContact OH-NE1 2.87Å; Y334-W404 VanDerWaalsContact OH-NE1 3.07Å; W404-T411 HydrophobicContact CB-CG2 3.93Å
405G78.9Confident84.2Confident5 Ų542.4 Ų42.45%0.05225%0.248CC..  trans-78160.1172.500000111Y337 D407 T411Y337-G405 VanDerWaalsContact CE2-CA 3.44Å; G405-D407 PolarHBondContact O-N 2.96Å; G405-T411 PolarHBondContact N-OG1 3.07Å; G405-T411 PolarHBondContact O-OG1 3.28Å
406Q74.5Confident83.8Confident154 Ų15444.4 Ų44.472%0.7227%0.269SS*.SBendtrans-60-17.7178.2-59.3179.6-6.800113.3Y334 M410Y334-Q406 HydrophobicContact CD1-CG 4.21Å; Y334-Q406 HydrophobicContact CE1-CG 4.03Å; Q406-M410 HydrophobicContact CB-CE 3.66Å; Q406-M410 HydrophobicContact CG-CE 4.36Å
407D73.8Confident83.9Confident52 Ų5242 Ų4228%0.27826%0.255SS..SBendtrans-129.5164.2166.772.254000111.9G405 A409 M410 T411G405-D407 PolarHBondContact O-N 2.96Å; D407-A409 VanDerWaalsContact C-N 3.27Å; D407-A409 PolarHBondContact O-N 3.2Å; D407-A409 VanDerWaalsContact OD1-CA 3.3Å; D407-A409 WeakPolarHBondContact OD1-CA 3.34Å; D407-A409 VanDerWaalsContact OD1-CB 3.3Å; D407-A409 WeakPolarHBondContact OD1-CB 3.4Å; D407-A409 PolarHBondContact OD1-N 2.88Å; D407-M410 PolarHBondContact O-N 3.36Å; D407-M410 PolarHBondContact OD1-N 2.69Å; D407-T411 PolarHBondContact O-N 3.03Å; D407-T411 VanDerWaalsContact O-N 3.15Å; D407-T411 PolarHBondContact O-OG1 3.35Å
408A65.9Low83.9Confident79 Ų7940.6 Ų40.665%0.65325%0.247SC*.Hα-helixtrans-68.5-24.1-178.500000113.2L412A408-L412 VanDerWaalsContact O-CB 3.27Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 2.89Å
409A63.1Low83.8Confident34 Ų3441.9 Ų41.928%0.28125%0.254SS..Hα-helixtrans-74.3-43.5178.700000111.2D407 L412 S413D407-A409 VanDerWaalsContact C-N 3.27Å; D407-A409 PolarHBondContact O-N 3.2Å; D407-A409 VanDerWaalsContact OD1-CA 3.3Å; D407-A409 WeakPolarHBondContact OD1-CA 3.34Å; D407-A409 VanDerWaalsContact OD1-CB 3.3Å; D407-A409 WeakPolarHBondContact OD1-CB 3.4Å; D407-A409 PolarHBondContact OD1-N 2.88Å; A409-L412 PolarHBondContact O-N 3.49Å; A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 2.71Å
410M71.2Confident83.7Confident64 Ų6444.7 Ų44.732%0.31527%0.269SS..Hα-helixtrans-59.1-46.5171.7-75.1-158.9-74.800111.1Y337 Q406 D407 L412 S413 A414Y337-M410 PolarHBondContact OH-O 3.32Å; Y337-M410 VanDerWaalsContact OH-O 3.11Å; Q406-M410 HydrophobicContact CB-CE 3.66Å; Q406-M410 HydrophobicContact CG-CE 4.36Å; D407-M410 PolarHBondContact O-N 3.36Å; D407-M410 PolarHBondContact OD1-N 2.69Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 2.9Å; M410-S413 PolarHBondContact O-N 2.89Å; M410-S413 PolarHBondContact O-OG 3.48Å; M410-A414 WeakPolarHBondContact O-CB 3.35Å; M410-A414 PolarHBondContact O-N 2.96Å
411T72.1Confident83.9Confident26 Ų2642.7 Ų42.716%0.1626%0.256CS..Hα-helixtrans-59.4-43.2175.9-530000111.7W404 G405 D407 A414 I415W404-T411 HydrophobicContact CB-CG2 3.93Å; G405-T411 PolarHBondContact N-OG1 3.07Å; G405-T411 PolarHBondContact O-OG1 3.28Å; D407-T411 PolarHBondContact O-N 3.03Å; D407-T411 VanDerWaalsContact O-N 3.15Å; D407-T411 PolarHBondContact O-OG1 3.35Å; T411-A414 PolarHBondContact O-N 3.24Å; T411-I415 PolarHBondContact O-N 3.36Å
412L73.3Confident84Confident116 Ų11642.2 Ų42.261%0.60725%0.253SS*.Hα-helixtrans-69.8-37.9-177.3-174.763.6000112.6A408 A409 M410 A414 I415A408-L412 VanDerWaalsContact O-CB 3.27Å; A408-L412 WeakPolarHBondContact O-CB 3.47Å; A408-L412 PolarHBondContact O-N 2.89Å; A409-L412 PolarHBondContact O-N 3.49Å; M410-L412 VanDerWaalsContact C-N 3.3Å; M410-L412 PolarHBondContact O-N 2.9Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-I415 WeakPolarHBondContact O-CG2 3.33Å
413S74.7Confident84Confident97 Ų9747.3 Ų47.368%0.67827%0.272SS*.Hα-helixtrans-70.4-31.317664.50000112A409 M410A409-S413 PolarHBondContact O-N 3.17Å; A409-S413 PolarHBondContact O-OG 2.71Å; M410-S413 PolarHBondContact O-N 2.89Å; M410-S413 PolarHBondContact O-OG 3.48Å
414A83.8Confident84.1Confident2 Ų248 Ų482%0.01728%0.277CS..Hα-helixtrans-90.3-3.8-179.200000115.1Y337 V341 M410 T411 L412 G416 P417 I418Y337-A414 WeakPolarHBondContact OH-CB 3.41Å; V341-A414 HydrophobicContact CG1-CB 4.44Å; V341-A414 HydrophobicContact CG2-CB 3.63Å; M410-A414 WeakPolarHBondContact O-CB 3.35Å; M410-A414 PolarHBondContact O-N 2.96Å; T411-A414 PolarHBondContact O-N 3.24Å; L412-A414 VanDerWaalsContact C-N 3.31Å; A414-G416 VanDerWaalsContact C-N 3.29Å; A414-G416 PolarHBondContact O-N 3.49Å; A414-P417 WeakPolarHBondContact O-CD 3.31Å; A414-I418 HydrophobicContact CB-CD1 3.74Å; A414-I418 HydrophobicContact CB-CG1 4.2Å; A414-I418 WeakPolarHBondContact O-CB 3.44Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.42Å
415I86.6Confident84.5Confident56 Ų5646.2 Ų46.229%0.28727%0.27SS..Hα-helixtrans-60-37.3-170.4-162.962.3000113.6P400 T411 L412 N419P400-I415 HydrophobicContact CB-CD1 3.96Å; P400-I415 HydrophobicContact CG-CD1 4.32Å; T411-I415 PolarHBondContact O-N 3.36Å; L412-I415 WeakPolarHBondContact O-CG2 3.33Å; I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 PolarHBondContact O-N 2.85Å; I415-N419 PolarHBondContact O-ND2 3.02Å; I415-N419 PolarHBondContact O-OD1 3.12Å
416G89.3Confident85.4Confident44 Ų4446 Ų4645%0.45427%0.268SS..Hα-helixtrans-63.1-56.7177.100000111.8A414 I418 N419 N420A414-G416 VanDerWaalsContact C-N 3.29Å; A414-G416 PolarHBondContact O-N 3.49Å; G416-I418 PolarHBondContact O-N 3.45Å; G416-N419 PolarHBondContact O-N 2.85Å; G416-N420 WeakPolarHBondContact O-CB 3.28Å; G416-N420 PolarHBondContact O-N 2.63Å
417P93.9Very high86.5Confident31 Ų3141.6 Ų41.620%0.20125%0.249CC..Hα-helixtrans-53.1-45.8172.3-30.234.4000114.6V341 A414 N419 N420 F421V341-P417 WeakPolarHBondContact O-CB 3.45Å; A414-P417 WeakPolarHBondContact O-CD 3.31Å; P417-N419 PolarHBondContact O-N 3.25Å; P417-N420 WeakPolarHBondContact O-CB 3.13Å; P417-N420 PolarHBondContact O-N 2.82Å; P417-N420 VanDerWaalsContact O-N 3.17Å; P417-F421 PolarHBondContact O-N 2.91Å
418I94.5Very high87.5Confident1 Ų142.1 Ų42.11%0.00525%0.25CS..Hα-helixtrans-59.5-50.3179.7-67.9168.6000110.6G399 L403 A414 G416 N420 F421 T422G399-I418 WeakPolarHBondContact O-CG2 3.28Å; L403-I418 HydrophobicContact CB-CG2 4.27Å; L403-I418 HydrophobicContact CD2-CD1 4.4Å; L403-I418 HydrophobicContact CD2-CG1 4.14Å; L403-I418 HydrophobicContact CG-CD1 4.48Å; A414-I418 HydrophobicContact CB-CD1 3.74Å; A414-I418 HydrophobicContact CB-CG1 4.2Å; A414-I418 WeakPolarHBondContact O-CB 3.44Å; A414-I418 WeakPolarHBondContact O-CG1 3.35Å; A414-I418 PolarHBondContact O-N 3.42Å; G416-I418 PolarHBondContact O-N 3.45Å; I418-N420 VanDerWaalsContact C-N 3.28Å; I418-N420 PolarHBondContact O-N 3.24Å; I418-F421 PolarHBondContact O-N 3.04Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.4Å
419N94.9Very high88.9Confident27 Ų2741 Ų4114%0.14423%0.231CC..Hα-helixtrans-63.7-35.3178.4-67-7.9000111.6A395 I415 G416 P417 R423A395-N419 WeakPolarHBondContact CB-O 3.47Å; A395-N419 PolarHBondContact O-OD1 3.02Å; I415-N419 WeakPolarHBondContact O-CB 3.44Å; I415-N419 PolarHBondContact O-N 2.85Å; I415-N419 PolarHBondContact O-ND2 3.02Å; I415-N419 PolarHBondContact O-OD1 3.12Å; G416-N419 PolarHBondContact O-N 2.85Å; P417-N419 PolarHBondContact O-N 3.25Å; N419-R423 WeakPolarHBondContact O-CB 3.45Å; N419-R423 PolarHBondContact O-N 2.71Å
420N95.6Very high90.3Very high60 Ų6047.6 Ų47.632%0.32125%0.25SC..Hα-helixtrans-65.2-43.9175.9-172.6-79.8000112G416 P417 I418 R423 T424G416-N420 WeakPolarHBondContact O-CB 3.28Å; G416-N420 PolarHBondContact O-N 2.63Å; P417-N420 WeakPolarHBondContact O-CB 3.13Å; P417-N420 PolarHBondContact O-N 2.82Å; P417-N420 VanDerWaalsContact O-N 3.17Å; I418-N420 VanDerWaalsContact C-N 3.28Å; I418-N420 PolarHBondContact O-N 3.24Å; N420-R423 PolarHBondContact O-N 3.31Å; N420-T424 PolarHBondContact O-N 3.21Å; N420-T424 PolarHBondContact O-OG1 3.25Å
421F98.1Very high91.4Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-60.5-50.6175177.6-93.4000111L332 I340 F343 I355 M358 P417 I418 R423 T424 L425L332-F421 HydrophobicContact CD1-CD1 4.25Å; L332-F421 HydrophobicContact CD1-CE1 3.91Å; L332-F421 HydrophobicContact CD2-CE1 4.4Å; I340-F421 HydrophobicContact CB-CG 4.45Å; I340-F421 HydrophobicContact CD1-CD1 4.37Å; I340-F421 HydrophobicContact CD1-CE1 4.05Å; I340-F421 HydrophobicContact CD1-CZ 4.26Å; I340-F421 HydrophobicContact CG1-CD1 4.16Å; I340-F421 HydrophobicContact CG1-CD2 4.11Å; I340-F421 HydrophobicContact CG1-CE1 4.05Å; I340-F421 HydrophobicContact CG1-CE2 3.97Å; I340-F421 HydrophobicContact CG1-CG 4.2Å; I340-F421 HydrophobicContact CG1-CZ 3.95Å; I340-F421 HydrophobicContact CG2-CB 3.8Å; I340-F421 HydrophobicContact CG2-CD1 3.97Å; I340-F421 HydrophobicContact CG2-CD2 4.28Å; I340-F421 HydrophobicContact CG2-CG 3.75Å; F343-F421 HydrophobicContact CB-CD2 4.15Å; F343-F421 HydrophobicContact CD1-CB 4.24Å; F343-F421 AromaticContact CD1-CD2 3.86Å; F343-F421 HydrophobicContact CD1-CD2 3.86Å; F343-F421 AromaticContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CD2 3.95Å; F343-F421 HydrophobicContact CD2-CE2 4.29Å; F343-F421 HydrophobicContact CE1-CD2 4.22Å; F343-F421 HydrophobicContact CE2-CD2 4.31Å; F343-F421 HydrophobicContact CE2-CE2 4.47Å; F343-F421 AromaticContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CD2 3.71Å; F343-F421 HydrophobicContact CG-CE2 4.49Å; F343-F421 HydrophobicContact CZ-CD2 4.43Å; I355-F421 HydrophobicContact CG1-CE2 3.89Å; I355-F421 HydrophobicContact CG1-CZ 4.48Å; I355-F421 HydrophobicContact CG2-CZ 4.47Å; M358-F421 HydrophobicContact SD-CE2 3.87Å; M358-F421 HydrophobicContact SD-CZ 4.43Å; P417-F421 PolarHBondContact O-N 2.91Å; I418-F421 PolarHBondContact O-N 3.04Å; F421-R423 VanDerWaalsContact C-N 3.31Å; F421-R423 PolarHBondContact O-N 2.52Å; F421-T424 PolarHBondContact O-N 2.79Å; F421-T424 VanDerWaalsContact O-N 3.11Å; F421-L425 HydrophobicContact CE1-CD2 4.34Å; F421-L425 WeakPolarHBondContact O-CB 3.34Å; F421-L425 PolarHBondContact O-N 3.14Å
422T98.1Very high92.4Very high0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-58.4-42178.1-56.30000112.1A395 F398 G399 L402 I418 L425 L426A395-T422 HydrophobicContact CB-CG2 4.03Å; F398-T422 HydrophobicContact CB-CG2 4.39Å; G399-T422 WeakPolarHBondContact CA-OG1 3.01Å; L402-T422 HydrophobicContact CD1-CG2 3.7Å; I418-T422 PolarHBondContact O-N 3.18Å; I418-T422 PolarHBondContact O-OG1 3.4Å; T422-L425 PolarHBondContact O-N 3.47Å; T422-L426 HydrophobicContact CG2-CD1 4.45Å; T422-L426 WeakPolarHBondContact O-CG 3.14Å; T422-L426 PolarHBondContact O-N 3.06Å; T422-L426 VanDerWaalsContact O-N 3.11Å
423R98.1Very high93.2Very high106 Ų10643.6 Ų43.640%0.423%0.226SC..Hα-helixtrans-61.8-47.9175.2-176.9-167.4152.6-164.4-2.9111.3N391 T392 A395 N419 N420 F421 L425 L426 D427N391-R423 HydrophobicContact CB-CG 4.46Å; T392-R423 WeakPolarHBondContact OG1-CD 3.17Å; A395-R423 HydrophobicContact CB-CB 3.62Å; N419-R423 WeakPolarHBondContact O-CB 3.45Å; N419-R423 PolarHBondContact O-N 2.71Å; N420-R423 PolarHBondContact O-N 3.31Å; F421-R423 VanDerWaalsContact C-N 3.31Å; F421-R423 PolarHBondContact O-N 2.52Å; R423-L425 VanDerWaalsContact C-N 3.27Å; R423-L425 PolarHBondContact O-N 3.1Å; R423-L426 PolarHBondContact O-N 3.14Å; R423-L426 VanDerWaalsContact O-N 3.16Å; R423-D427 IonicContact CZ-OD2 3.62Å; R423-D427 IonicContact NE-OD2 2.99Å; R423-D427 PolarHBondContact NE-OD2 3.42Å; R423-D427 IonicContact NH2-OD2 3.44Å; R423-D427 PolarHBondContact NH2-OD2 3.36Å; R423-D427 WeakPolarHBondContact O-CB 2.98Å; R423-D427 PolarHBondContact O-N 2.98Å
424T97.4Very high93.4Very high16 Ų1641.3 Ų41.310%0.09821%0.21CC..Hα-helixtrans-61.5-39.4-179.2-52.10000110.8F343 K351 I355 N420 F421 L426 D427 Q428F343-T424 HydrophobicContact CE1-CG2 3.91Å; F343-T424 HydrophobicContact CZ-CG2 3.99Å; K351-T424 HydrophobicContact CD-CG2 4.19Å; I355-T424 HydrophobicContact CD1-CG2 3.97Å; N420-T424 PolarHBondContact O-N 3.21Å; N420-T424 PolarHBondContact O-OG1 3.25Å; F421-T424 PolarHBondContact O-N 2.79Å; F421-T424 VanDerWaalsContact O-N 3.11Å; T424-L426 VanDerWaalsContact C-N 3.35Å; T424-L426 PolarHBondContact O-N 3.15Å; T424-D427 PolarHBondContact O-N 3.32Å; T424-Q428 HydrophobicContact CG2-CG 4.23Å; T424-Q428 WeakPolarHBondContact O-CB 3.18Å; T424-Q428 WeakPolarHBondContact O-CG 3.45Å; T424-Q428 PolarHBondContact O-N 2.82Å
425L97.4Very high91.9Very high0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-60.6-41.2175.1-178.362.2000112.3I355 L359 L370 I374 F421 T422 R423 H429 V432 F433I355-L425 HydrophobicContact CG2-CD1 3.74Å; L359-L425 HydrophobicContact CD1-CD1 4.26Å; L370-L425 HydrophobicContact CD1-CD2 4.34Å; L370-L425 HydrophobicContact CD2-CD2 4.36Å; I374-L425 HydrophobicContact CD1-CD2 3.73Å; I374-L425 HydrophobicContact CD1-CG 4.03Å; I374-L425 HydrophobicContact CG1-CD2 3.9Å; I374-L425 HydrophobicContact CG1-CG 4.19Å; F421-L425 HydrophobicContact CE1-CD2 4.34Å; F421-L425 WeakPolarHBondContact O-CB 3.34Å; F421-L425 PolarHBondContact O-N 3.14Å; T422-L425 PolarHBondContact O-N 3.47Å; R423-L425 VanDerWaalsContact C-N 3.27Å; R423-L425 PolarHBondContact O-N 3.1Å; L425-H429 VanDerWaalsContact O-CA 3.3Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.45Å; L425-H429 PolarHBondContact O-N 3.43Å; L425-V432 HydrophobicContact CD1-CB 4.46Å; L425-V432 HydrophobicContact CD1-CG1 3.81Å; L425-F433 HydrophobicContact CD1-CE2 3.66Å; L425-F433 HydrophobicContact CD1-CZ 3.92Å; L425-F433 HydrophobicContact CG-CE2 4.31Å
426L97.9Very high92.2Very high1 Ų150.4 Ų50.41%0.00527%0.269CS..Hα-helixtrans-68.2-45.8174.2-66.8166.6000111.8I374 L377 V378 N391 L394 T422 R423 T424 Q428 H429I374-L426 HydrophobicContact CD1-CD2 3.86Å; I374-L426 HydrophobicContact CD1-CG 4.4Å; I374-L426 HydrophobicContact CG2-CD2 4.22Å; L377-L426 HydrophobicContact CB-CD2 3.64Å; L377-L426 HydrophobicContact CD1-CD2 4.29Å; V378-L426 HydrophobicContact CG2-CD2 4.34Å; N391-L426 HydrophobicContact CB-CB 4.05Å; N391-L426 HydrophobicContact CB-CD1 4.26Å; L394-L426 HydrophobicContact CB-CD1 4.04Å; T422-L426 HydrophobicContact CG2-CD1 4.45Å; T422-L426 WeakPolarHBondContact O-CG 3.14Å; T422-L426 PolarHBondContact O-N 3.06Å; T422-L426 VanDerWaalsContact O-N 3.11Å; R423-L426 PolarHBondContact O-N 3.14Å; R423-L426 VanDerWaalsContact O-N 3.16Å; T424-L426 VanDerWaalsContact C-N 3.35Å; T424-L426 PolarHBondContact O-N 3.15Å; L426-Q428 PolarHBondContact O-N 3.32Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-H429 PolarHBondContact O-ND1 2.71Å; L426-H429 VanDerWaalsContact O-ND1 3.08Å
427D96.9Very high92.4Very high62 Ų6250.7 Ų50.733%0.33226%0.26SS..Hα-helixtrans-63.3-30.1-179.1-72.5-14.3000112N391 R423 T424N391-D427 VanDerWaalsContact CB-OD1 3.29Å; N391-D427 WeakPolarHBondContact CB-OD1 3.26Å; N391-D427 PolarHBondContact ND2-OD1 3.08Å; R423-D427 IonicContact CZ-OD2 3.62Å; R423-D427 IonicContact NE-OD2 2.99Å; R423-D427 PolarHBondContact NE-OD2 3.42Å; R423-D427 IonicContact NH2-OD2 3.44Å; R423-D427 PolarHBondContact NH2-OD2 3.36Å; R423-D427 WeakPolarHBondContact O-CB 2.98Å; R423-D427 PolarHBondContact O-N 2.98Å; T424-D427 PolarHBondContact O-N 3.32Å
428Q95.6Very high92.3Very high63 Ų6351.8 Ų51.829%0.29426%0.263SS..THydrogen-bonded Turntrans-11415-175.8-57.7-67.4-79.200113.3V352 T424 L426 Y430 E431 V432V352-Q428 HydrophobicContact CG2-CB 4.2Å; V352-Q428 HydrophobicContact CG2-CG 4.21Å; T424-Q428 HydrophobicContact CG2-CG 4.23Å; T424-Q428 WeakPolarHBondContact O-CB 3.18Å; T424-Q428 WeakPolarHBondContact O-CG 3.45Å; T424-Q428 PolarHBondContact O-N 2.82Å; L426-Q428 PolarHBondContact O-N 3.32Å; Q428-Y430 PolarHBondContact O-N 3.27Å; Q428-Y430 VanDerWaalsContact O-N 3.12Å; Q428-E431 PolarHBondContact O-N 3.46Å; Q428-E431 VanDerWaalsContact O-N 3.08Å; Q428-V432 HydrophobicContact CB-CG2 4.1Å; Q428-V432 WeakPolarHBondContact O-CG2 3.09Å; Q428-V432 PolarHBondContact O-N 3.36Å
429H94.5Very high92.1Very high56 Ų5654.8 Ų54.826%0.25928%0.278SS..Hα-helixtrans-53.6-39.3-171.274.3-76.3000113.4I374 V378 L425 L426 E431 V432 F433I374-H429 HydrophobicContact CG2-CB 3.78Å; V378-H429 VanDerWaalsContact CG1-CE1 3.5Å; V378-H429 WeakPolarHBondContact CG1-CE1 3.49Å; V378-H429 HydrophobicContact CG2-CB 3.97Å; V378-H429 VanDerWaalsContact CG2-CG 3.45Å; V378-H429 WeakPolarHBondContact CG2-ND1 3.35Å; L425-H429 VanDerWaalsContact O-CA 3.3Å; L425-H429 WeakPolarHBondContact O-CA 3.43Å; L425-H429 WeakPolarHBondContact O-CB 3.45Å; L425-H429 PolarHBondContact O-N 3.43Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-H429 PolarHBondContact O-ND1 2.71Å; L426-H429 VanDerWaalsContact O-ND1 3.08Å; H429-E431 PolarHBondContact O-N 3.3Å; H429-V432 PolarHBondContact O-N 2.85Å; H429-F433 HydrophobicContact CB-CD2 4.29Å; H429-F433 WeakPolarHBondContact O-CD2 3.46Å; H429-F433 PolarHBondContact O-N 2.93Å
430Y92.3Very high92Very high171 Ų17156.5 Ų56.567%0.67129%0.286SS*.Hα-helixtrans-61.9-45.5-178.9-177.2-96000111.1Q428 S434Q428-Y430 PolarHBondContact O-N 3.27Å; Q428-Y430 VanDerWaalsContact O-N 3.12Å; Y430-S434 VanDerWaalsContact O-CB 3.25Å; Y430-S434 WeakPolarHBondContact O-CB 3.34Å; Y430-S434 PolarHBondContact O-N 3.09Å; Y430-S434 PolarHBondContact O-OG 3.25Å
431E93.6Very high91.7Very high104 Ų10456.3 Ų56.349%0.48628%0.284SS..Hα-helixtrans-74.2-34.8179.9-60-178.7-144.900111.8V352 Q356 Q428 H429V352-E431 HydrophobicContact CG1-CB 3.78Å; V352-E431 HydrophobicContact CG2-CB 4.38Å; Q356-E431 PolarHBondContact NE2-O 2.69Å; Q428-E431 PolarHBondContact O-N 3.46Å; Q428-E431 VanDerWaalsContact O-N 3.08Å; H429-E431 PolarHBondContact O-N 3.3Å
432V93.3Very high91.3Very high6 Ų660.3 Ų60.34%0.03630%0.304CS..Hα-helixtrans-71.5-43.2-177.9169.70000112.6V352 I355 L359 L425 Q428 H429V352-V432 HydrophobicContact CG1-CG2 4.25Å; I355-V432 HydrophobicContact CB-CG2 4.13Å; I355-V432 HydrophobicContact CD1-CG2 4.27Å; I355-V432 HydrophobicContact CG2-CB 4.37Å; I355-V432 HydrophobicContact CG2-CG1 3.53Å; I355-V432 HydrophobicContact CG2-CG2 3.84Å; L359-V432 HydrophobicContact CD1-CG1 3.42Å; L359-V432 VanDerWaalsContact CD1-CG1 3.42Å; L425-V432 HydrophobicContact CD1-CB 4.46Å; L425-V432 HydrophobicContact CD1-CG1 3.81Å; Q428-V432 HydrophobicContact CB-CG2 4.1Å; Q428-V432 WeakPolarHBondContact O-CG2 3.09Å; Q428-V432 PolarHBondContact O-N 3.36Å; H429-V432 PolarHBondContact O-N 2.85Å
433F90.7Very high90.8Very high13 Ų1364.9 Ų64.96%0.05733%0.328CS..Hα-helixtrans-102.23.6-173.8-65.8-76.8000114.3L359 Y367 L370 K371 I374 L425 H429L359-F433 HydrophobicContact CD1-CD1 4.3Å; L359-F433 HydrophobicContact CD1-CE1 3.54Å; L359-F433 HydrophobicContact CD1-CE2 4.43Å; L359-F433 HydrophobicContact CD1-CZ 3.62Å; Y367-F433 HydrophobicContact CE2-CD1 4.21Å; Y367-F433 HydrophobicContact CE2-CE1 4.11Å; L370-F433 HydrophobicContact CD2-CZ 4.38Å; L370-F433 HydrophobicContact CG-CZ 4.43Å; K371-F433 HydrophobicContact CB-CD1 3.86Å; K371-F433 HydrophobicContact CB-CE1 3.79Å; K371-F433 HydrophobicContact CD-CB 4.43Å; K371-F433 HydrophobicContact CD-CD1 4Å; K371-F433 HydrophobicContact CG-CB 4.48Å; K371-F433 HydrophobicContact CG-CD1 3.74Å; K371-F433 HydrophobicContact CG-CE1 4.17Å; K371-F433 HydrophobicContact CG-CG 4.19Å; I374-F433 HydrophobicContact CB-CE2 3.99Å; I374-F433 HydrophobicContact CB-CZ 4.35Å; I374-F433 HydrophobicContact CG1-CE2 4.23Å; I374-F433 HydrophobicContact CG1-CZ 4.26Å; I374-F433 HydrophobicContact CG2-CD2 4.31Å; I374-F433 HydrophobicContact CG2-CE2 3.7Å; L425-F433 HydrophobicContact CD1-CE2 3.66Å; L425-F433 HydrophobicContact CD1-CZ 3.92Å; L425-F433 HydrophobicContact CG-CE2 4.31Å; H429-F433 HydrophobicContact CB-CD2 4.29Å; H429-F433 WeakPolarHBondContact O-CD2 3.46Å; H429-F433 PolarHBondContact O-N 2.93Å
434S78.1Confident90.1Very high48 Ų4861.5 Ų61.534%0.33632%0.322SS..  trans-61.8142.7171.2-81.30000111Y430Y430-S434 VanDerWaalsContact O-CB 3.25Å; Y430-S434 WeakPolarHBondContact O-CB 3.34Å; Y430-S434 PolarHBondContact O-N 3.09Å; Y430-S434 PolarHBondContact O-OG 3.25Å
435P54Low89.5Confident198 Ų19865.6 Ų65.6100%1.28634%0.342SS*.  trans-68.40-177.428.8-35.6000114.5

Retrieved 435 of 435 residues in 2392.9 ms (Link to these results)