A0A087XPZ8_POEFO Loading...

Tropomodulin 1

AlphaFold DB , UniProt , Accession A0A087XPZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 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
1M49.4Very low61Low190 Ų190128.5 Ų128.594%0.93662%0.62SS**  01260-73.2-144.5-78.500107.9K5M1-K5 HydrophobicContact CB-CD 4.27Å; M1-K5 HydrophobicContact CE-CD 4.45Å; M1-K5 HydrophobicContact CG-CD 4.33Å; M1-K5 HydrophobicContact SD-CD 3.4Å; M1-K5 WeakPolarHBondContact SD-CD 3.36Å; M1-K5 PolarHBondContact SD-NZ 3.42Å; M1-K5 VanDerWaalsContact SD-NZ 3.44Å
2S60.3Low61.5Low80 Ų80133.5 Ų133.556%0.55963%0.628SS**  trans-48.9146.1-173.1175.30000112.7L4 K5S2-L4 PolarHBondContact O-N 3.19Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.05Å; S2-K5 WeakPolarHBondContact O-CB 3.32Å; S2-K5 PolarHBondContact O-N 3.13Å
3L55.6Low62.1Low144 Ų144135.2 Ų135.275%0.75464%0.643SS**Hα-helixtrans-45.6-36.2171-87.1139.4000112K5 K6 E7L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 3.38Å; L3-K6 PolarHBondContact O-N 3.34Å; L3-K6 VanDerWaalsContact O-N 3.15Å; L3-E7 PolarHBondContact O-N 3.41Å
4L54.2Low63.1Low120 Ų120130.6 Ų130.663%0.62862%0.623SS**Hα-helixtrans-55.5-40.9174.4-127.184.1000113.1S2 E7 M8S2-L4 PolarHBondContact O-N 3.19Å; S2-L4 VanDerWaalsContact O-N 3.09Å; S2-L4 PolarHBondContact OG-N 3.05Å; L4-E7 PolarHBondContact O-N 3Å; L4-M8 WeakPolarHBondContact O-CB 3.36Å; L4-M8 WeakPolarHBondContact O-CG 3.46Å; L4-M8 PolarHBondContact O-N 3.13Å
5K58.7Low64Low126 Ų126128 Ų12855%0.54861%0.614SS.*Hα-helixtrans-69.5-34.8-179.6-113.1-175.7178.3178.50112.2M1 S2 L3 D9M1-K5 HydrophobicContact CB-CD 4.27Å; M1-K5 HydrophobicContact CE-CD 4.45Å; M1-K5 HydrophobicContact CG-CD 4.33Å; M1-K5 HydrophobicContact SD-CD 3.4Å; M1-K5 WeakPolarHBondContact SD-CD 3.36Å; M1-K5 PolarHBondContact SD-NZ 3.42Å; M1-K5 VanDerWaalsContact SD-NZ 3.44Å; S2-K5 WeakPolarHBondContact O-CB 3.32Å; S2-K5 PolarHBondContact O-N 3.13Å; L3-K5 VanDerWaalsContact C-N 3.31Å; L3-K5 PolarHBondContact O-N 3.38Å; K5-D9 PolarHBondContact O-N 3.37Å
6K63.8Low64.5Low161 Ų161129.1 Ų129.170%0.762%0.619SS**Hα-helixtrans-73.3-28.4175.3-83.9-175.5173.4-176.90112.8L3L3-K6 PolarHBondContact O-N 3.34Å; L3-K6 VanDerWaalsContact O-N 3.15Å
7E64.4Low65.2Low101 Ų101127.9 Ų127.947%0.47262%0.616SS.*Hα-helixtrans-76.3-38.3173.4-75.1-179.1154.400111.8L3 L4 D9 K10 Y11L3-E7 PolarHBondContact O-N 3.41Å; L4-E7 PolarHBondContact O-N 3Å; E7-D9 PolarHBondContact O-N 3.5Å; E7-K10 WeakPolarHBondContact O-CB 3.23Å; E7-K10 PolarHBondContact O-N 3.13Å; E7-K10 VanDerWaalsContact O-N 3.17Å; E7-Y11 WeakPolarHBondContact O-CD2 3.41Å; E7-Y11 WeakPolarHBondContact O-CE2 3.45Å
8M61.2Low66.2Low115 Ų115126.6 Ų126.657%0.56761%0.609SS**Hα-helixtrans-68.5-30.5177.9-65.6-80.879.900113.7L4 K10 Y11L4-M8 WeakPolarHBondContact O-CB 3.36Å; L4-M8 WeakPolarHBondContact O-CG 3.46Å; L4-M8 PolarHBondContact O-N 3.13Å; M8-K10 PolarHBondContact O-N 3.49Å; M8-Y11 HydrophobicContact CE-CD2 3.84Å; M8-Y11 HydrophobicContact CE-CE2 4.27Å; M8-Y11 PolarHBondContact O-N 2.94Å; M8-Y11 VanDerWaalsContact O-N 3.15Å
9D69.3Low66.8Low81 Ų81124.8 Ų124.843%0.43360%0.603SS.*G310 helixtrans-63.6-20.5173.3-81.8-32.5000112.6K5 E7 Y11 R12K5-D9 PolarHBondContact O-N 3.37Å; E7-D9 PolarHBondContact O-N 3.5Å; D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.22Å; D9-R12 IonicContact OD1-CZ 2.81Å; D9-R12 IonicContact OD1-NH1 3.03Å; D9-R12 PolarHBondContact OD1-NH1 3.48Å
10K68.1Low67.2Low148 Ų148122.2 Ų122.264%0.64359%0.592SS**G310 helixtrans-72.3-21175.8-62.7178.7-179.6174.10113.5E7 M8E7-K10 WeakPolarHBondContact O-CB 3.23Å; E7-K10 PolarHBondContact O-N 3.13Å; E7-K10 VanDerWaalsContact O-N 3.17Å; M8-K10 PolarHBondContact O-N 3.49Å
11Y65.7Low67.9Low147 Ų147124.9 Ų124.958%0.57660%0.6SS**G310 helixtrans-104.34.4-177-56.9-83.4000112.6E7 M8 D9 I14E7-Y11 WeakPolarHBondContact O-CD2 3.41Å; E7-Y11 WeakPolarHBondContact O-CE2 3.45Å; M8-Y11 HydrophobicContact CE-CD2 3.84Å; M8-Y11 HydrophobicContact CE-CE2 4.27Å; M8-Y11 PolarHBondContact O-N 2.94Å; M8-Y11 VanDerWaalsContact O-N 3.15Å; D9-Y11 VanDerWaalsContact C-N 3.28Å; D9-Y11 PolarHBondContact O-N 3.22Å; Y11-I14 HydrophobicContact CD1-CD1 3.47Å; Y11-I14 VanDerWaalsContact CD1-CD1 3.47Å; Y11-I14 HydrophobicContact CE1-CD1 4.36Å; Y11-I14 HydrophobicContact CG-CD1 4.16Å
12R67Low69.5Low189 Ų189122.5 Ų122.571%0.71359%0.585SS**THydrogen-bonded Turntrans-76.8-24.6-171.2-148.2175.1-170175.5-5.3114.1D9D9-R12 IonicContact OD1-CZ 2.81Å; D9-R12 IonicContact OD1-NH1 3.03Å; D9-R12 PolarHBondContact OD1-NH1 3.48Å
13D69.4Low70.6Confident155 Ų155121.5 Ų121.583%0.82957%0.573SS**THydrogen-bonded Turntrans-115.120.3-176-58.7-37.7000112.2
14I75.9Confident72.1Confident71 Ų71117.2 Ų117.236%0.36456%0.555SS.*  trans-82.6130.5177.5-64.5179.8000109Y11 E16 L19Y11-I14 HydrophobicContact CD1-CD1 3.47Å; Y11-I14 VanDerWaalsContact CD1-CD1 3.47Å; Y11-I14 HydrophobicContact CE1-CD1 4.36Å; Y11-I14 HydrophobicContact CG-CD1 4.16Å; I14-E16 PolarHBondContact O-N 3.2Å; I14-E16 VanDerWaalsContact O-N 3.14Å; I14-L19 HydrophobicContact CG2-CD1 3.33Å; I14-L19 HydrophobicContact CG2-CG 4.2Å
15D77.3Confident73.4Confident92 Ų92119.5 Ų119.549%0.49256%0.562SS.*  trans-75.798.8174.7-168.2-22.7000109.9D17 E18 L19D15-D17 VanDerWaalsContact C-N 3.25Å; D15-D17 PolarHBondContact O-N 2.95Å; D15-D17 PolarHBondContact OD1-N 3.44Å; D15-D17 VanDerWaalsContact OD1-N 3.17Å; D15-E18 HydrophobicContact CB-CB 4.05Å; D15-E18 PolarHBondContact O-N 3.42Å; D15-E18 PolarHBondContact OD1-N 3.22Å; D15-L19 PolarHBondContact O-N 3.12Å
16E72Confident74.5Confident146 Ų146120 Ų12068%0.68257%0.566SS**Hα-helixtrans-60.2-35.4-179-63.3178.2179.200111.7I14 E18 L19 L20I14-E16 PolarHBondContact O-N 3.2Å; I14-E16 VanDerWaalsContact O-N 3.14Å; E16-E18 PolarHBondContact O-N 3.25Å; E16-L19 PolarHBondContact O-N 2.87Å; E16-L20 VanDerWaalsContact O-CG 3.29Å; E16-L20 WeakPolarHBondContact O-CG 3.43Å; E16-L20 PolarHBondContact O-N 2.87Å
17D76.1Confident75.3Confident109 Ų109116.4 Ų116.458%0.58355%0.552SS**Hα-helixtrans-71.6-32.3-178.9-71.3-29.8000112.1D15 K21D15-D17 VanDerWaalsContact C-N 3.25Å; D15-D17 PolarHBondContact O-N 2.95Å; D15-D17 PolarHBondContact OD1-N 3.44Å; D15-D17 VanDerWaalsContact OD1-N 3.17Å; D17-K21 WeakPolarHBondContact O-CG 3.46Å; D17-K21 PolarHBondContact O-N 3.33Å
18E82.6Confident76Confident104 Ų104114.9 Ų114.949%0.48655%0.547SS..Hα-helixtrans-71.1-34.2174.8-157.7-165.3147.700111.8D15 E16 K22D15-E18 HydrophobicContact CB-CB 4.05Å; D15-E18 PolarHBondContact O-N 3.42Å; D15-E18 PolarHBondContact OD1-N 3.22Å; E16-E18 PolarHBondContact O-N 3.25Å; E18-K22 WeakPolarHBondContact O-CG 3.35Å; E18-K22 WeakPolarHBondContact OE1-CE 3.35Å; E18-K22 IonicContact OE1-NZ 2.8Å; E18-K22 PolarHBondContact OE1-NZ 2.84Å
19L77.4Confident76.7Confident93 Ų93114.7 Ų114.749%0.48755%0.545SS..Hα-helixtrans-70.6-44.2175.1-74.3175.5000111.9I14 D15 E16 K21 K22 L23I14-L19 HydrophobicContact CG2-CD1 3.33Å; I14-L19 HydrophobicContact CG2-CG 4.2Å; D15-L19 PolarHBondContact O-N 3.12Å; E16-L19 PolarHBondContact O-N 2.87Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.8Å; L19-K22 PolarHBondContact O-N 3.02Å; L19-K22 VanDerWaalsContact O-N 3.07Å; L19-L23 PolarHBondContact O-N 3.12Å
20L75.6Confident77.1Confident72 Ų72117.9 Ų117.938%0.37755%0.551SS.*Hα-helixtrans-62.3-35.3178.8-71.4170.5000112.4E16 K22 L23 L28 L31E16-L20 VanDerWaalsContact O-CG 3.29Å; E16-L20 WeakPolarHBondContact O-CG 3.43Å; E16-L20 PolarHBondContact O-N 2.87Å; L20-K22 VanDerWaalsContact C-N 3.27Å; L20-K22 PolarHBondContact O-N 3.48Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 PolarHBondContact O-N 2.98Å; L20-L28 HydrophobicContact CD2-CD2 4.04Å; L20-L31 HydrophobicContact CD2-CD2 4.15Å
21K81.5Confident77.4Confident178 Ų178114 Ų11477%0.77454%0.537SS*.THydrogen-bonded Turntrans-69.6-19.9175.4-77.2173.6-176163.50114.4D17 L19D17-K21 WeakPolarHBondContact O-CG 3.46Å; D17-K21 PolarHBondContact O-N 3.33Å; L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.8Å
22K84.4Confident77.6Confident140 Ų140112.5 Ų112.561%0.60954%0.535SS*.THydrogen-bonded Turntrans-88.6-13.3179.6-72.2172-172.8166.70112.7E18 L19 L20E18-K22 WeakPolarHBondContact O-CG 3.35Å; E18-K22 WeakPolarHBondContact OE1-CE 3.35Å; E18-K22 IonicContact OE1-NZ 2.8Å; E18-K22 PolarHBondContact OE1-NZ 2.84Å; L19-K22 PolarHBondContact O-N 3.02Å; L19-K22 VanDerWaalsContact O-N 3.07Å; L20-K22 VanDerWaalsContact C-N 3.27Å; L20-K22 PolarHBondContact O-N 3.48Å
23L82.9Confident77.8Confident60 Ų60107.7 Ų107.731%0.31452%0.523SS..SBendtrans-80.4141.4178.1-69.4167.9000110.8L19 L20 E27 L28 L31L19-L23 PolarHBondContact O-N 3.12Å; L20-L23 HydrophobicContact CD2-CD1 4.31Å; L20-L23 PolarHBondContact O-N 2.98Å; L23-E27 HydrophobicContact CB-CB 4.33Å; L23-E27 HydrophobicContact CD2-CB 3.96Å; L23-L28 HydrophobicContact CB-CD1 4.29Å; L23-L28 HydrophobicContact CB-CG 3.95Å; L23-L31 HydrophobicContact CD1-CD2 4.47Å
24S87.4Confident77.8Confident54 Ų54106.2 Ų106.238%0.37851%0.512SS..  trans-73.6160.917162.80000111.2E26 E27 L28S24-E26 PolarHBondContact O-N 3.15Å; S24-E27 WeakPolarHBondContact CB-OE2 3.35Å; S24-E27 PolarHBondContact N-OE2 3.1Å; S24-E27 PolarHBondContact O-N 3.39Å; S24-E27 VanDerWaalsContact OG-CG 3.26Å; S24-E27 WeakPolarHBondContact OG-CG 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.06Å; S24-L28 PolarHBondContact O-N 2.97Å
25E81.1Confident77.2Confident168 Ų168108.2 Ų108.279%0.78552%0.522SS*.Hα-helixtrans-57.8-34.7-179.4-164.5171.2-173.300112.2Q29E25-Q29 WeakPolarHBondContact O-CB 3.36Å; E25-Q29 PolarHBondContact O-N 2.85Å
26E80.6Confident76.4Confident135 Ų135109.3 Ų109.363%0.63152%0.524SS*.Hα-helixtrans-72.6-27.2175.9-63.1-175.7-177.800113.9S24 R30S24-E26 PolarHBondContact O-N 3.15Å; E26-R30 PolarHBondContact O-N 3.16Å; E26-R30 PolarHBondContact O-NE 2.89Å; E26-R30 IonicContact OE2-NH2 2.63Å
27E80.4Confident75.9Confident87 Ų87109.5 Ų109.541%0.40753%0.525SS..Hα-helixtrans-84.3-36.6177.6-69.9167.714300111.1L23 S24 Q29 R30 L31L23-E27 HydrophobicContact CB-CB 4.33Å; L23-E27 HydrophobicContact CD2-CB 3.96Å; S24-E27 WeakPolarHBondContact CB-OE2 3.35Å; S24-E27 PolarHBondContact N-OE2 3.1Å; S24-E27 PolarHBondContact O-N 3.39Å; S24-E27 VanDerWaalsContact OG-CG 3.26Å; S24-E27 WeakPolarHBondContact OG-CG 3.34Å; S24-E27 PolarHBondContact OG-OE2 3.06Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-R30 PolarHBondContact O-N 3.44Å; E27-L31 WeakPolarHBondContact O-CB 3.49Å; E27-L31 PolarHBondContact O-N 3.26Å
28L79.9Confident74.7Confident68 Ų68110.6 Ų110.636%0.35653%0.531SS..Hα-helixtrans-58.9-43.7168.9-87.3153.3000111L20 L23 S24 L31 E32L20-L28 HydrophobicContact CD2-CD2 4.04Å; L23-L28 HydrophobicContact CB-CD1 4.29Å; L23-L28 HydrophobicContact CB-CG 3.95Å; S24-L28 PolarHBondContact O-N 2.97Å; L28-L31 PolarHBondContact O-N 3.35Å; L28-E32 WeakPolarHBondContact O-CB 3.39Å; L28-E32 PolarHBondContact O-N 3.37Å
29Q76.1Confident73.4Confident112 Ų112110 Ų11052%0.52353%0.531SS..Hα-helixtrans-66.8-37.7178.5-167139.136.600112.5E25 E27 E32 D33E25-Q29 WeakPolarHBondContact O-CB 3.36Å; E25-Q29 PolarHBondContact O-N 2.85Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; Q29-E32 PolarHBondContact O-N 3.03Å; Q29-D33 VanDerWaalsContact O-CG 3.28Å; Q29-D33 PolarHBondContact O-N 3.2Å
30R77.6Confident72.2Confident148 Ų148110.7 Ų110.756%0.55854%0.541SS*.Hα-helixtrans-67-38.8172.4-85.2-177.9-98.3-176.4-9.8113E26 E27 E32 D33 E34E26-R30 PolarHBondContact O-N 3.16Å; E26-R30 PolarHBondContact O-NE 2.89Å; E26-R30 IonicContact OE2-NH2 2.63Å; E27-R30 PolarHBondContact O-N 3.44Å; R30-E32 VanDerWaalsContact C-N 3.31Å; R30-D33 PolarHBondContact O-N 3.15Å; R30-E34 PolarHBondContact O-N 3.25Å
31L75.4Confident71.1Confident67 Ų67113.2 Ų113.235%0.35156%0.555SS.*Hα-helixtrans-65.4-38.5176.2-163.289.7000111L20 L23 E27 L28 E34 L35L20-L31 HydrophobicContact CD2-CD2 4.15Å; L23-L31 HydrophobicContact CD1-CD2 4.47Å; E27-L31 WeakPolarHBondContact O-CB 3.49Å; E27-L31 PolarHBondContact O-N 3.26Å; L28-L31 PolarHBondContact O-N 3.35Å; L31-E34 PolarHBondContact O-N 3.39Å; L31-L35 HydrophobicContact CD2-CD1 4.37Å; L31-L35 HydrophobicContact CG-CD1 4.38Å; L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 3.05Å
32E69.3Low70.2Confident115 Ų115107.6 Ų107.654%0.53753%0.533SS..Hα-helixtrans-64-45.5173.8-167.1171.1-153.700111L28 Q29 R30 E34 L35 E36L28-E32 WeakPolarHBondContact O-CB 3.39Å; L28-E32 PolarHBondContact O-N 3.37Å; Q29-E32 PolarHBondContact O-N 3.03Å; R30-E32 VanDerWaalsContact C-N 3.31Å; E32-E34 PolarHBondContact O-N 2.93Å; E32-L35 PolarHBondContact O-N 2.91Å; E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.31Å
33D70.2Confident69Low88 Ų88105.2 Ų105.247%0.47154%0.539SS..Hα-helixtrans-60.3-43.3174.4-70.8-26.9000112Q29 R30 E36 E37Q29-D33 VanDerWaalsContact O-CG 3.28Å; Q29-D33 PolarHBondContact O-N 3.2Å; R30-D33 PolarHBondContact O-N 3.15Å; D33-E36 PolarHBondContact O-N 2.91Å; D33-E37 PolarHBondContact O-N 2.89Å
34E70.1Confident67.9Low124 Ų124109.9 Ų109.958%0.57956%0.564SS**Hα-helixtrans-68.6-38.1177.8-79.2-176.3175.500113R30 L31 E32 E36 E37 L38R30-E34 PolarHBondContact O-N 3.25Å; L31-E34 PolarHBondContact O-N 3.39Å; E32-E34 PolarHBondContact O-N 2.93Å; E34-E36 VanDerWaalsContact C-N 3.28Å; E34-E36 PolarHBondContact O-N 2.83Å; E34-E37 PolarHBondContact O-N 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.99Å; E34-L38 VanDerWaalsContact O-N 3.1Å
35L63.7Low66.3Low112 Ų112111.2 Ų111.259%0.58657%0.566SS**Hα-helixtrans-65.1-32.6174.7-79.6167.7000112L31 E32 E37L31-L35 HydrophobicContact CD2-CD1 4.37Å; L31-L35 HydrophobicContact CG-CD1 4.38Å; L31-L35 WeakPolarHBondContact O-CB 3.36Å; L31-L35 VanDerWaalsContact O-CG 3.28Å; L31-L35 WeakPolarHBondContact O-CG 3.46Å; L31-L35 PolarHBondContact O-N 3.05Å; E32-L35 PolarHBondContact O-N 2.91Å; L35-E37 VanDerWaalsContact C-N 3.35Å
36E59.7Low65.2Low115 Ų115107.1 Ų107.154%0.53755%0.554SS.*Hα-helixtrans-75.2-21.4175.7-73.1-172.2155.500113.5E32 D33 E34 K52E32-E36 WeakPolarHBondContact O-CG 3.43Å; E32-E36 PolarHBondContact O-N 3.31Å; D33-E36 PolarHBondContact O-N 2.91Å; E34-E36 VanDerWaalsContact C-N 3.28Å; E34-E36 PolarHBondContact O-N 2.83Å; E36-K52 IonicContact OE1-NZ 2.75Å; E36-K52 IonicContact OE2-NZ 3.21Å; E36-K52 PolarHBondContact OE2-NZ 2.92Å
37E61.1Low64.1Low150 Ų150104.5 Ų104.570%0.70156%0.555SS**Hα-helixtrans-88.2-17.9173.2-71-174.7173.400113.3D33 E34 L35 D39D33-E37 PolarHBondContact O-N 2.89Å; E34-E37 PolarHBondContact O-N 3.47Å; L35-E37 VanDerWaalsContact C-N 3.35Å; E37-D39 VanDerWaalsContact C-N 3.28Å; E37-D39 PolarHBondContact O-N 3.25Å
38L52.5Low62.9Low133 Ų133103.6 Ų103.670%0.69657%0.57SS**SBendtrans-78.470.5177.6-87.5158.4000112E34E34-L38 WeakPolarHBondContact O-CD1 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.37Å; E34-L38 PolarHBondContact O-N 2.99Å; E34-L38 VanDerWaalsContact O-N 3.1Å
39D54Low61.8Low92 Ų92106.5 Ų106.549%0.49259%0.585SS.*  trans15086142.3-168.54.1000110.7E37 D41 N42E37-D39 VanDerWaalsContact C-N 3.28Å; E37-D39 PolarHBondContact O-N 3.25Å; D39-D41 PolarHBondContact O-N 3.28Å; D39-D41 PolarHBondContact OD1-N 2.93Å; D39-D41 VanDerWaalsContact OD1-N 3.07Å; D39-N42 HydrophobicContact CB-CB 4.49Å; D39-N42 PolarHBondContact O-N 3.09Å
40P53.9Low61.1Low107 Ų107106.3 Ų106.370%0.69558%0.579SS**THydrogen-bonded Turntrans-62.1-13.9177.123.8-31.5000113.5
41D51.6Low59.9Low125 Ų125106.8 Ų106.867%0.66859%0.588SS**THydrogen-bonded Turntrans-106.511.3-175.5-77.8-30.5000114.2D39 A43 R50D39-D41 PolarHBondContact O-N 3.28Å; D39-D41 PolarHBondContact OD1-N 2.93Å; D39-D41 VanDerWaalsContact OD1-N 3.07Å; D41-A43 PolarHBondContact O-N 3.19Å; D41-R50 PolarHBondContact O-NH1 2.9Å
42N62.8Low58.9Low60 Ų60109.1 Ų109.132%0.32160%0.595SS.*  trans-51.1101.3-179.3-172-11.5000112.3D39 L44 L45 R50D39-N42 HydrophobicContact CB-CB 4.49Å; D39-N42 PolarHBondContact O-N 3.09Å; N42-L44 PolarHBondContact O-N 3.35Å; N42-L44 VanDerWaalsContact O-N 3.09Å; N42-L44 PolarHBondContact OD1-N 3.29Å; N42-L45 HydrophobicContact CB-CD1 4.44Å; N42-L45 PolarHBondContact O-N 3.36Å; N42-R50 VanDerWaalsContact O-CZ 3.26Å; N42-R50 PolarHBondContact O-NH2 3.23Å
43A59Low58.3Low89 Ų89111 Ų11174%0.73661%0.609SS**THydrogen-bonded Turntrans-65.5-16.1-169.900000113.7D41D41-A43 PolarHBondContact O-N 3.19Å
44L60.1Low57.7Low159 Ų159113.5 Ų113.583%0.83262%0.618SS**THydrogen-bonded Turntrans-82.1-14.5-179.4-67.4165.1000113.1N42N42-L44 PolarHBondContact O-N 3.35Å; N42-L44 VanDerWaalsContact O-N 3.09Å; N42-L44 PolarHBondContact OD1-N 3.29Å
45L53.9Low57Low81 Ų81112.3 Ų112.342%0.42462%0.619SS.*SBendtrans-98.1128.8178.4-68.7170.3000111.3N42 R50N42-L45 HydrophobicContact CB-CD1 4.44Å; N42-L45 PolarHBondContact O-N 3.36Å; L45-R50 HydrophobicContact CB-CG 4.42Å; L45-R50 VanDerWaalsContact O-CZ 3.31Å; L45-R50 PolarHBondContact O-NE 3.15Å; L45-R50 PolarHBondContact O-NH2 2.89Å
46P57Low56.8Low82 Ų82117.6 Ų117.653%0.53264%0.638SS.*  trans-55.9142.3172-24.732.5000112.3G48 L49 R50P46-G48 PolarHBondContact O-N 3.48Å; P46-G48 VanDerWaalsContact O-N 3.09Å; P46-L49 HydrophobicContact CB-CD1 4.47Å; P46-L49 HydrophobicContact CG-CD1 4.17Å; P46-L49 PolarHBondContact O-N 2.94Å; P46-R50 PolarHBondContact O-N 2.78Å
47A58.7Low57.1Low80 Ų80120.3 Ų120.366%0.66165%0.648SS**G310 helixtrans-53.2-36.1-17300000114.5L49 R50A47-L49 VanDerWaalsContact C-N 3.25Å; A47-L49 PolarHBondContact O-N 3.18Å; A47-R50 WeakPolarHBondContact O-CB 3.5Å; A47-R50 PolarHBondContact O-N 2.8Å
48G55.1Low57.2Low68 Ų68117.2 Ų117.270%0.70165%0.647SS**G310 helixtrans-69.8-17.5177.500000114.8P46P46-G48 PolarHBondContact O-N 3.48Å; P46-G48 VanDerWaalsContact O-N 3.09Å
49L56.3Low57.8Low130 Ų130116.9 Ų116.968%0.68165%0.653SS**G310 helixtrans-96.9-2175.2-65.7172.5000112.5P46 A47P46-L49 HydrophobicContact CB-CD1 4.47Å; P46-L49 HydrophobicContact CG-CD1 4.17Å; P46-L49 PolarHBondContact O-N 2.94Å; A47-L49 VanDerWaalsContact C-N 3.25Å; A47-L49 PolarHBondContact O-N 3.18Å
50R60.3Low58.3Low107 Ų107119.4 Ų119.440%0.40467%0.672SS.*SBendtrans-83.7-20.2174.2-58.3-177.4-171.9-143.1-0.6112.5D41 N42 L45 P46 A47D41-R50 PolarHBondContact O-NH1 2.9Å; N42-R50 VanDerWaalsContact O-CZ 3.26Å; N42-R50 PolarHBondContact O-NH2 3.23Å; L45-R50 HydrophobicContact CB-CG 4.42Å; L45-R50 VanDerWaalsContact O-CZ 3.31Å; L45-R50 PolarHBondContact O-NE 3.15Å; L45-R50 PolarHBondContact O-NH2 2.89Å; P46-R50 PolarHBondContact O-N 2.78Å; A47-R50 WeakPolarHBondContact O-CB 3.5Å; A47-R50 PolarHBondContact O-N 2.8Å
51Q52.9Low59.2Low159 Ų159117.6 Ų117.674%0.74367%0.673SS**SBendtrans-96.9116.8178-170.2171.6-16.800108.9
52K55Low60.3Low116 Ų116117.3 Ų117.350%0.50468%0.676SS.*  trans-93.3116.2-176.8-144.9-176.2-160.4-175.30108.7E36 Q54E36-K52 IonicContact OE1-NZ 2.75Å; E36-K52 IonicContact OE2-NZ 3.21Å; E36-K52 PolarHBondContact OE2-NZ 2.92Å; K52-Q54 HydrophobicContact CB-CG 3.75Å; K52-Q54 HydrophobicContact CD-CG 3.58Å; K52-Q54 HydrophobicContact CG-CG 3.67Å; K52-Q54 PolarHBondContact O-N 3.43Å
53D56.9Low60.9Low155 Ų155121.9 Ų121.983%0.82969%0.693SS**  trans-73.177167.5-82.5-27.5000109.1T55D53-T55 PolarHBondContact O-N 3.35Å
54Q56.2Low61.8Low140 Ų140123.6 Ų123.665%0.65469%0.686SS**  trans-88.879.9-177.9-66.1-172.833.900111.3K52K52-Q54 HydrophobicContact CB-CG 3.75Å; K52-Q54 HydrophobicContact CD-CG 3.58Å; K52-Q54 HydrophobicContact CG-CG 3.67Å; K52-Q54 PolarHBondContact O-N 3.43Å
55T55.7Low62.8Low99 Ų99124 Ų12461%0.60768%0.676SS**  trans-132118.8160.2119.80000110.4D53 K57D53-T55 PolarHBondContact O-N 3.35Å; T55-K57 PolarHBondContact O-N 3.43Å; T55-K57 PolarHBondContact OG1-N 2.97Å; T55-K57 PolarHBondContact OG1-O 3.24Å
56K60.2Low64.3Low223 Ų223126 Ų12697%0.9769%0.688SS**  trans-71.91166.9-60.6-178.4-178178.50111.9
57K65.9Low65.6Low172 Ų172127 Ų12775%0.74869%0.688SS**SBendtrans-86.9132.3-176.8-64.1-179.5-179.3175.60109.1T55T55-K57 PolarHBondContact O-N 3.43Å; T55-K57 PolarHBondContact OG1-N 2.97Å; T55-K57 PolarHBondContact OG1-O 3.24Å
58A62.8Low66.7Low84 Ų84126.9 Ų126.969%0.69468%0.676SS**  trans-60.4144.1170.600000109.9T60A58-T60 PolarHBondContact O-N 2.87Å
59P65.6Low68Low127 Ų127127.4 Ų127.483%0.82566%0.662SS**  trans-60.6112.6-176.820.4-29.8000111.2G61P59-G61 PolarHBondContact O-N 3.21Å
60T64.8Low69.6Low145 Ų145123.9 Ų123.989%0.8965%0.652SS**  trans-77.968.5173.614.80000110.5A58A58-T60 PolarHBondContact O-N 2.87Å
61G72.4Confident70.8Confident68 Ų68124.1 Ų124.170%0.70166%0.658SS**SBendtrans64.7-165.4169.100000116.4P59P59-G61 PolarHBondContact O-N 3.21Å
62T75.1Confident72.4Confident120 Ų120120.6 Ų120.674%0.73664%0.643SS**SBendtrans-72.7141.3-179.451.10000111.7Q64T62-Q64 PolarHBondContact O-N 3.22Å
63F75Confident73.9Confident156 Ų156120.7 Ų120.768%0.68465%0.646SS**  trans-53.9116.9179.7178.3-103.2000112.8R65 L68F63-R65 HydrophobicContact CE1-CB 3.87Å; F63-R65 HydrophobicContact CE1-CG 4.43Å; F63-R65 HydrophobicContact CZ-CB 4.3Å; F63-L68 HydrophobicContact CE2-CD2 3.71Å; F63-L68 HydrophobicContact CZ-CD2 4.15Å
64Q78.1Confident75.5Confident124 Ų124119.1 Ų119.158%0.57963%0.632SS**  trans-112100.1175.3-71177.8-6.700109.9T62 D66 N67 L68T62-Q64 PolarHBondContact O-N 3.22Å; Q64-D66 PolarHBondContact O-N 3.24Å; Q64-N67 HydrophobicContact CB-CB 4.4Å; Q64-N67 PolarHBondContact O-N 3.15Å; Q64-N67 PolarHBondContact OE1-ND2 3.45Å; Q64-L68 PolarHBondContact O-N 2.97Å
65R80.7Confident77Confident167 Ų167117.3 Ų117.363%0.6362%0.623SS**Hα-helixtrans-57.4-42.8-173-176.5-178.4172.893.11.2113.7F63 N67 L68 L69F63-R65 HydrophobicContact CE1-CB 3.87Å; F63-R65 HydrophobicContact CE1-CG 4.43Å; F63-R65 HydrophobicContact CZ-CB 4.3Å; R65-N67 PolarHBondContact O-N 2.76Å; R65-L68 PolarHBondContact O-N 3.2Å; R65-L69 HydrophobicContact CG-CD1 4.02Å; R65-L69 PolarHBondContact O-N 3.45Å
66D85.8Confident78.2Confident125 Ų125116.1 Ų116.167%0.66862%0.623SS**Hα-helixtrans-69.4-37.1-172.7-57.5-29.3000111.9Q64 L69 A70Q64-D66 PolarHBondContact O-N 3.24Å; D66-L69 PolarHBondContact O-N 2.84Å; D66-A70 PolarHBondContact O-N 2.84Å
67N84.9Confident79.4Confident102 Ų102113.7 Ų113.755%0.54561%0.613SS.*Hα-helixtrans-69.3-35.1176.4-72.7-19.8000112Q64 R65 H71Q64-N67 HydrophobicContact CB-CB 4.4Å; Q64-N67 PolarHBondContact O-N 3.15Å; Q64-N67 PolarHBondContact OE1-ND2 3.45Å; R65-N67 PolarHBondContact O-N 2.76Å; N67-H71 WeakPolarHBondContact O-CB 3.45Å; N67-H71 PolarHBondContact O-N 3.07Å
68L80.7Confident80.4Confident77 Ų77111.9 Ų111.940%0.40361%0.607SS.*Hα-helixtrans-66.1-44.9174178.863.3000111.3F63 Q64 R65 A70 H71 L72F63-L68 HydrophobicContact CE2-CD2 3.71Å; F63-L68 HydrophobicContact CZ-CD2 4.15Å; Q64-L68 PolarHBondContact O-N 2.97Å; R65-L68 PolarHBondContact O-N 3.2Å; L68-A70 PolarHBondContact O-N 3.3Å; L68-H71 PolarHBondContact O-N 3.35Å; L68-L72 HydrophobicContact CD1-CD1 4.13Å; L68-L72 HydrophobicContact CD1-CG 4.17Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.29Å; L68-L72 PolarHBondContact O-N 3.47Å
69L83.9Confident81.2Confident79 Ų79114.3 Ų114.341%0.41460%0.603SS.*Hα-helixtrans-59.5-46.6176.7-82.8159.4000111.5R65 D66 H71 L72 E73R65-L69 HydrophobicContact CG-CD1 4.02Å; R65-L69 PolarHBondContact O-N 3.45Å; D66-L69 PolarHBondContact O-N 2.84Å; L69-H71 VanDerWaalsContact C-N 3.31Å; L69-H71 PolarHBondContact O-N 2.83Å; L69-L72 PolarHBondContact O-N 2.58Å; L69-E73 WeakPolarHBondContact O-CG 3.24Å; L69-E73 PolarHBondContact O-N 3.4Å
70A88.7Confident81.8Confident57 Ų57113.2 Ų113.247%0.47160%0.596SS.*Hα-helixtrans-61.9-37.7176.900000112.6D66 L68 K74D66-A70 PolarHBondContact O-N 2.84Å; L68-A70 PolarHBondContact O-N 3.3Å; A70-K74 WeakPolarHBondContact O-CB 3.37Å; A70-K74 PolarHBondContact O-N 3.41Å; A70-K74 VanDerWaalsContact O-N 3.09Å
71H86.2Confident82.2Confident112 Ų112113.9 Ų113.952%0.51959%0.594SS.*Hα-helixtrans-66-45.8175.5-178.370.2000112.1N67 L68 L69 K74 Q75N67-H71 WeakPolarHBondContact O-CB 3.45Å; N67-H71 PolarHBondContact O-N 3.07Å; L68-H71 PolarHBondContact O-N 3.35Å; L69-H71 VanDerWaalsContact C-N 3.31Å; L69-H71 PolarHBondContact O-N 2.83Å; H71-K74 PolarHBondContact O-N 3.16Å; H71-Q75 WeakPolarHBondContact O-CB 3.22Å; H71-Q75 PolarHBondContact O-N 3.32Å
72L85.3Confident82.3Confident84 Ų84120.7 Ų120.744%0.4460%0.599SS.*Hα-helixtrans-66-41.1179.5-69.6172.4000112L68 L69 K74 Q75 A76L68-L72 HydrophobicContact CD1-CD1 4.13Å; L68-L72 HydrophobicContact CD1-CG 4.17Å; L68-L72 HydrophobicContact CG-CD1 3.96Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 VanDerWaalsContact O-CG 3.31Å; L68-L72 WeakPolarHBondContact O-CG 3.29Å; L68-L72 PolarHBondContact O-N 3.47Å; L69-L72 PolarHBondContact O-N 2.58Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.23Å; L72-Q75 PolarHBondContact O-N 2.91Å; L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.29Å
73E87.9Confident82.1Confident119 Ų119123.6 Ų123.656%0.55660%0.604SS**Hα-helixtrans-62.5-39.8174.3-78.5-173.7-177.800112.2L69 K77L69-E73 WeakPolarHBondContact O-CG 3.24Å; L69-E73 PolarHBondContact O-N 3.4Å; E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.28Å; E73-K77 VanDerWaalsContact O-N 3.11Å
74K89.9Confident81.6Confident122 Ų122122.1 Ų122.153%0.5360%0.603SS.*Hα-helixtrans-65.8-45.6176-175.8177.2173.9-178.80111A70 H71 L72 A76 K77 E78A70-K74 WeakPolarHBondContact O-CB 3.37Å; A70-K74 PolarHBondContact O-N 3.41Å; A70-K74 VanDerWaalsContact O-N 3.09Å; H71-K74 PolarHBondContact O-N 3.16Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.23Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.34Å; K74-K77 PolarHBondContact O-N 3.36Å; K74-E78 WeakPolarHBondContact CE-OE1 3.22Å; K74-E78 IonicContact NZ-OE1 2.67Å; K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 3.37Å
75Q87.4Confident81.2Confident102 Ų102123.9 Ų123.948%0.47762%0.616SS.*Hα-helixtrans-62.6-41.1178-163.8-178.819.600111.7H71 L72 K77 E78 H79H71-Q75 WeakPolarHBondContact O-CB 3.22Å; H71-Q75 PolarHBondContact O-N 3.32Å; L72-Q75 PolarHBondContact O-N 2.91Å; Q75-K77 VanDerWaalsContact C-N 3.33Å; Q75-K77 PolarHBondContact O-N 3.06Å; Q75-E78 PolarHBondContact O-N 2.86Å; Q75-H79 WeakPolarHBondContact O-CB 3.36Å; Q75-H79 PolarHBondContact O-N 3.26Å
76A81.6Confident80.7Confident73 Ų73121.4 Ų121.460%0.60362%0.619SS**Hα-helixtrans-65-34.2176.200000112.9L72 K74L72-A76 WeakPolarHBondContact O-CB 3.47Å; L72-A76 PolarHBondContact O-N 3.29Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.34Å
77K83.9Confident79.9Confident173 Ų173120.1 Ų120.175%0.75262%0.618SS**Hα-helixtrans-74.9-31.3175.2-75.5173.2-177.6167.40113.4E73 K74 Q75E73-K77 WeakPolarHBondContact O-CG 3.35Å; E73-K77 PolarHBondContact O-N 3.28Å; E73-K77 VanDerWaalsContact O-N 3.11Å; K74-K77 PolarHBondContact O-N 3.36Å; Q75-K77 VanDerWaalsContact C-N 3.33Å; Q75-K77 PolarHBondContact O-N 3.06Å
78E87.3Confident78.8Confident133 Ų133124.2 Ų124.262%0.62163%0.631SS**Hα-helixtrans-84.7-26.4-178.7-73.3174.7176.600112.4K74 Q75 P80K74-E78 WeakPolarHBondContact CE-OE1 3.22Å; K74-E78 IonicContact NZ-OE1 2.67Å; K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 WeakPolarHBondContact O-CG 3.46Å; K74-E78 PolarHBondContact O-N 3.37Å; Q75-E78 PolarHBondContact O-N 2.86Å; E78-P80 WeakPolarHBondContact O-CD 3.36Å
79H80.3Confident78.2Confident135 Ų135125.9 Ų125.963%0.62565%0.645SS**SBendtrans-72.7119.9176.8-155.2-69.6000109.4Q75 D81Q75-H79 WeakPolarHBondContact O-CB 3.36Å; Q75-H79 PolarHBondContact O-N 3.26Å; H79-D81 PolarHBondContact O-N 3.37Å
80P78Confident77.3Confident104 Ų104124.6 Ų124.668%0.67565%0.65SS**PPolyproline II helixtrans-65.1139.3178.126.2-32.6000109.9E78 R82E78-P80 WeakPolarHBondContact O-CD 3.36Å; P80-R82 PolarHBondContact O-N 3.17Å
81D72.6Confident76.4Confident159 Ų159129.1 Ų129.185%0.8566%0.662SS**PPolyproline II helixtrans-60.7136169.8-78.5-25.6000109H79 E83H79-D81 PolarHBondContact O-N 3.37Å; D81-E83 PolarHBondContact O-N 3.28Å
82R74.4Confident75.2Confident212 Ų212133.6 Ų133.680%0.868%0.68SS**PPolyproline II helixtrans-66.1131.1176.9-176.8177.1177.6171.70.7108.8P80 D84P80-R82 PolarHBondContact O-N 3.17Å; R82-D84 PolarHBondContact O-N 3.39Å
83E71.4Confident74.1Confident181 Ų181141.2 Ų141.285%0.84670%0.702SS**PPolyproline II helixtrans-61.8125.4175-67.3-174.4170.300110.4D81 L85D81-E83 PolarHBondContact O-N 3.28Å; E83-L85 PolarHBondContact O-N 3.06Å
84D65.6Low73.1Confident124 Ų124138.5 Ų138.566%0.66371%0.706SS**PPolyproline II helixtrans-62.9126174.1-73.3-32.2000109.5R82 V86R82-D84 PolarHBondContact O-N 3.39Å; D84-V86 PolarHBondContact O-N 2.69Å
85L69.6Low72.3Confident162 Ų162142.8 Ų142.885%0.84873%0.725SS**SBendtrans-57.4-20.2177-96.7101.2000113.2E83E83-L85 PolarHBondContact O-N 3.06Å
86V69.5Low71.3Confident114 Ų114142.2 Ų142.269%0.69174%0.738SS**SBendtrans-131.9113.5173.9-172.40000107.8D84 F88D84-V86 PolarHBondContact O-N 2.69Å; V86-F88 PolarHBondContact O-N 3.23Å
87P67.8Low70.7Confident99 Ų99148.8 Ų148.864%0.64375%0.747SS**  trans-61.5128.4-179.618.3-26.4000110.3T89P87-T89 PolarHBondContact O-N 3.13Å
88F62.3Low70.2Confident187 Ų187146.1 Ų146.182%0.8275%0.745SS**  trans-60.6105.2177.2178.8-103.2000109.9V86 G90V86-F88 PolarHBondContact O-N 3.23Å; F88-G90 PolarHBondContact O-N 2.61Å
89T67.8Low69.5Low113 Ų113143.8 Ų143.869%0.69374%0.741SS**  trans-76.5-3.8-173.750.90000114.1P87 E91P87-T89 PolarHBondContact O-N 3.13Å; T89-E91 PolarHBondContact O-N 3.45Å
90G66.7Low68.9Low51 Ų51146.5 Ų146.553%0.52675%0.751SS.*  trans65.8-6.7178.700000115.7F88 K92F88-G90 PolarHBondContact O-N 2.61Å; G90-K92 PolarHBondContact O-N 3.16Å
91E68.6Low68.3Low153 Ų153150.2 Ų150.272%0.71576%0.76SS**  trans-78.6111.6178.3-68.7-171.5161.400110.8T89 R93T89-E91 PolarHBondContact O-N 3.45Å; E91-R93 PolarHBondContact O-N 2.7Å
92K62Low67.6Low206 Ų206153.6 Ų153.690%0.89676%0.761SS**  trans-64.797.7166.9-76.4-176.6178177.90109G90 G94G90-K92 PolarHBondContact O-N 3.16Å; K92-G94 PolarHBondContact O-N 3.25Å; K92-G94 VanDerWaalsContact O-N 3.08Å
93R60.9Low66.9Low244 Ų244150 Ų15092%0.92176%0.761SS**  trans-71.7102.1171.1-67.1-175.480.1-172.25.4109.4E91E91-R93 PolarHBondContact O-N 2.7Å
94G68.1Low66.2Low62 Ų62147.5 Ų147.564%0.63975%0.754SS**SBendtrans145153.8173.700000112.5K92 A96K92-G94 PolarHBondContact O-N 3.25Å; K92-G94 VanDerWaalsContact O-N 3.08Å; G94-A96 PolarHBondContact O-N 2.85Å
95K72.8Confident65.8Low212 Ų212146.5 Ų146.592%0.92275%0.754SS**  trans-59.6130.7171.9-66.5-177.4179-179.60108.3W97K95-W97 PolarHBondContact O-N 2.86Å; K95-W97 VanDerWaalsContact O-N 3.15Å
96A65.4Low65.3Low90 Ų90146.6 Ų146.674%0.74475%0.754SS**  trans-53124.7170.900000108.1G94 V98G94-A96 PolarHBondContact O-N 2.85Å; A96-V98 PolarHBondContact O-N 3.18Å
97W70.2Confident64.6Low211 Ų211147.3 Ų147.380%0.79975%0.752SS**  trans-58.8115.3-178.9177.887.8000108.9K95 P99K95-W97 PolarHBondContact O-N 2.86Å; K95-W97 VanDerWaalsContact O-N 3.15Å; W97-P99 HydrophobicContact CE3-CG 4.16Å; W97-P99 HydrophobicContact CH2-CB 3.72Å; W97-P99 HydrophobicContact CH2-CG 4Å; W97-P99 HydrophobicContact CZ2-CB 4.4Å; W97-P99 HydrophobicContact CZ3-CB 3.84Å; W97-P99 HydrophobicContact CZ3-CG 3.56Å
98V73.8Confident63.9Low117 Ų117150.3 Ų150.371%0.70976%0.758SS**PPolyproline II helixtrans-90.9125170.2-176.20000106.2A96 K100A96-V98 PolarHBondContact O-N 3.18Å; V98-K100 PolarHBondContact O-N 3.46Å
99P70.9Confident63.5Low83 Ų83147.9 Ų147.954%0.53975%0.753SS.*PPolyproline II helixtrans-53.9125.8174.1-15.823.4000109.1W97 Q101W97-P99 HydrophobicContact CE3-CG 4.16Å; W97-P99 HydrophobicContact CH2-CB 3.72Å; W97-P99 HydrophobicContact CH2-CG 4Å; W97-P99 HydrophobicContact CZ2-CB 4.4Å; W97-P99 HydrophobicContact CZ3-CB 3.84Å; W97-P99 HydrophobicContact CZ3-CG 3.56Å; P99-Q101 PolarHBondContact O-N 2.71Å; P99-Q101 VanDerWaalsContact O-N 3.13Å
100K68.5Low63.1Low193 Ų193148 Ų14884%0.83975%0.754SS**PPolyproline II helixtrans-59.5121.3170.6-70.8-179.1178.9179.70107.3V98 R102V98-K100 PolarHBondContact O-N 3.46Å; K100-R102 PolarHBondContact O-N 3.37Å; K100-R102 VanDerWaalsContact O-N 3.09Å
101Q66.1Low63.3Low182 Ų182151.3 Ų151.385%0.8576%0.764SS**PPolyproline II helixtrans-58.1117.9169.8-160167.88.200106.3P99 V103P99-Q101 PolarHBondContact O-N 2.71Å; P99-Q101 VanDerWaalsContact O-N 3.13Å; Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 2.8Å
102R56.6Low63.4Low230 Ų230147.8 Ų147.887%0.86875%0.75SS**  trans-63.9102.9172.5-71-171.8-170.4-163.63105.5K100 D104K100-R102 PolarHBondContact O-N 3.37Å; K100-R102 VanDerWaalsContact O-N 3.09Å; R102-D104 PolarHBondContact O-N 2.98Å
103V59.7Low64.4Low135 Ų135144.2 Ų144.282%0.81874%0.736SS**  trans-68.1114.8155.1-140.20000102.8Q101Q101-V103 VanDerWaalsContact C-N 3.32Å; Q101-V103 PolarHBondContact O-N 2.8Å
104D57Low65.3Low130 Ų130137.5 Ų137.570%0.69572%0.724SS**  trans-51.2131.2170.3-65.9-42.1000106.6R102 I106R102-D104 PolarHBondContact O-N 2.98Å; D104-I106 PolarHBondContact O-N 2.93Å
105P57.9Low65.7Low102 Ų102142 Ų14266%0.66273%0.729SS**  trans-51.7136.3174.523.3-32.1000106.8I107P105-I107 PolarHBondContact O-N 3.41Å
106I59Low65.9Low165 Ų165136.1 Ų136.185%0.84671%0.707SS**  trans-60.895.8170.4-60.3169.2000104.5D104 E108D104-I106 PolarHBondContact O-N 2.93Å; I106-E108 PolarHBondContact O-N 3.16Å
107I53.9Low66.5Low128 Ų128136.7 Ų136.766%0.65669%0.694SS**  trans-69.596166.8-60.4167.6000102P105 N109P105-I107 PolarHBondContact O-N 3.41Å; I107-N109 VanDerWaalsContact C-N 3.27Å; I107-N109 PolarHBondContact O-N 3.23Å
108E52.8Low67.1Low163 Ų163133.5 Ų133.576%0.76269%0.688SS**  trans-54.3108.4154.8-107.6178.2166.900104.7I106 V110I106-E108 PolarHBondContact O-N 3.16Å; E108-V110 PolarHBondContact O-N 3.04Å
109N54.8Low67.5Low135 Ų135130.5 Ų130.572%0.72268%0.675SS**  trans-62.494.8167.8-77.3-17.4000105.2I107 T111I107-N109 VanDerWaalsContact C-N 3.27Å; I107-N109 PolarHBondContact O-N 3.23Å; N109-T111 PolarHBondContact O-N 3.46Å
110V60.2Low67.9Low117 Ų117131 Ų13171%0.70967%0.673SS**  trans-68.589.2171.3-177.40000105.5E108 L112E108-V110 PolarHBondContact O-N 3.04Å; V110-L112 HydrophobicContact CG1-CD2 4.38Å; V110-L112 PolarHBondContact O-N 3.42Å
111T70.8Confident68.5Low120 Ų120126.2 Ų126.274%0.73667%0.669SS**  trans-71.2112.8168.247.60000106.6N109N109-T111 PolarHBondContact O-N 3.46Å
112L69.1Low69.3Low78 Ų78122 Ų12241%0.40866%0.66SS.*  trans-71.8156.1172.7-67.5172.1000108.3V110 L116 E117V110-L112 HydrophobicContact CG1-CD2 4.38Å; V110-L112 PolarHBondContact O-N 3.42Å; L112-L116 HydrophobicContact CB-CB 4.41Å; L112-E117 HydrophobicContact CB-CG 3.56Å; L112-E117 HydrophobicContact CD1-CG 4.34Å
113E83.3Confident70.5Confident131 Ų131112.2 Ų112.261%0.61263%0.628SS**  trans-61.6142.6171.7-61.3176.717000108.7E115 L116 E117E113-E115 PolarHBondContact O-N 2.83Å; E113-L116 HydrophobicContact CB-CD1 4.24Å; E113-L116 WeakPolarHBondContact O-CA 3.47Å; E113-L116 WeakPolarHBondContact O-CB 3.29Å; E113-L116 PolarHBondContact O-N 3.46Å; E113-E117 PolarHBondContact O-N 2.77Å; E113-E117 VanDerWaalsContact O-N 3.09Å
114P79.5Confident71.5Confident103 Ų103108.5 Ų108.567%0.66961%0.608SS**Hα-helixtrans-57.6-30-17318.2-29.9000113.1E117 E118P114-E117 PolarHBondContact O-N 3.16Å; P114-E118 WeakPolarHBondContact O-CB 3.43Å; P114-E118 PolarHBondContact O-N 3.37Å; P114-E118 VanDerWaalsContact O-N 3.08Å
115E76.9Confident72.4Confident158 Ų158107.1 Ų107.174%0.73860%0.601SS**Hα-helixtrans-67.8-35.7175.4-61.4179.5-176.300112.5E113 A119E113-E115 PolarHBondContact O-N 2.83Å; E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.14Å
116L77.3Confident73.2Confident87 Ų87105.3 Ų105.346%0.45559%0.594SS.*Hα-helixtrans-74.9-36176.9-81.8160.3000111.7L112 E113 A119 L120L112-L116 HydrophobicContact CB-CB 4.41Å; E113-L116 HydrophobicContact CB-CD1 4.24Å; E113-L116 WeakPolarHBondContact O-CA 3.47Å; E113-L116 WeakPolarHBondContact O-CB 3.29Å; E113-L116 PolarHBondContact O-N 3.46Å; L116-A119 PolarHBondContact O-N 2.9Å; L116-L120 WeakPolarHBondContact O-CB 3.19Å; L116-L120 PolarHBondContact O-N 3.24Å
117E79.3Confident74.1Confident103 Ų103102.4 Ų102.448%0.48158%0.577SS.*Hα-helixtrans-65.3-43174.2-67.1-169.3166.100111.7L112 E113 P114 L120 A121L112-E117 HydrophobicContact CB-CG 3.56Å; L112-E117 HydrophobicContact CD1-CG 4.34Å; E113-E117 PolarHBondContact O-N 2.77Å; E113-E117 VanDerWaalsContact O-N 3.09Å; P114-E117 PolarHBondContact O-N 3.16Å; E117-L120 PolarHBondContact O-N 3.28Å; E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.44Å; E117-A121 PolarHBondContact O-N 3.34Å
118E82.8Confident75.3Confident144 Ų14499.2 Ų99.267%0.67356%0.561SS**Hα-helixtrans-65.8-40.7176.4-172174.8-178.200111.7P114 A121 S122P114-E118 WeakPolarHBondContact O-CB 3.43Å; P114-E118 PolarHBondContact O-N 3.37Å; P114-E118 VanDerWaalsContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 3.1Å; E118-S122 WeakPolarHBondContact O-CB 3.4Å; E118-S122 PolarHBondContact O-N 3.29Å; E118-S122 PolarHBondContact O-OG 3.24Å
119A81.1Confident76.1Confident53 Ų5395.5 Ų95.544%0.43855%0.552SS.*Hα-helixtrans-63.6-42174.500000112.4E115 L116 S122 A123E115-A119 WeakPolarHBondContact O-CB 3.34Å; E115-A119 PolarHBondContact O-N 3.14Å; L116-A119 PolarHBondContact O-N 2.9Å; A119-S122 PolarHBondContact O-N 3.16Å; A119-S122 PolarHBondContact O-OG 3.13Å; A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 2.62Å
120L79.8Confident77.1Confident95 Ų9594.1 Ų94.150%0.49755%0.545SS..Hα-helixtrans-68.1-37176.6-122.493.3000112.4L116 E117 S122 L128L116-L120 WeakPolarHBondContact O-CB 3.19Å; L116-L120 PolarHBondContact O-N 3.24Å; E117-L120 PolarHBondContact O-N 3.28Å; L120-S122 VanDerWaalsContact C-N 3.33Å; L120-L128 HydrophobicContact CG-CD2 4.38Å
121A80.3Confident78Confident91 Ų9192.1 Ų92.175%0.75253%0.529SS*.Hα-helixtrans-73.1-25.4-179.900000113.1E117 E118E117-A121 VanDerWaalsContact O-CB 3.29Å; E117-A121 WeakPolarHBondContact O-CB 3.44Å; E117-A121 PolarHBondContact O-N 3.34Å; E118-A121 PolarHBondContact O-N 3.1Å
122S84.2Confident78.2Confident95 Ų9588.1 Ų88.166%0.66451%0.508SS*.Hα-helixtrans-95.9-13.3178.557.80000114.1E118 A119 L120E118-S122 WeakPolarHBondContact O-CB 3.4Å; E118-S122 PolarHBondContact O-N 3.29Å; E118-S122 PolarHBondContact O-OG 3.24Å; A119-S122 PolarHBondContact O-N 3.16Å; A119-S122 PolarHBondContact O-OG 3.13Å; L120-S122 VanDerWaalsContact C-N 3.33Å
123A81.9Confident78.3Confident24 Ų2487.2 Ų87.220%0.19851%0.512CS..  trans-62.9140.2178.600000112.1A119 E127 L128A119-A123 WeakPolarHBondContact O-CB 3.39Å; A119-A123 PolarHBondContact O-N 2.62Å; A123-E127 HydrophobicContact CB-CB 4.48Å; A123-L128 HydrophobicContact CB-CD2 4.02Å; A123-L128 HydrophobicContact CB-CG 3.97Å
124S80.5Confident78.1Confident56 Ų5687.9 Ų87.939%0.39252%0.519SS..  trans-74.4156.7173.565.30000111.9A126 E127 L128S124-A126 PolarHBondContact O-N 3.03Å; S124-A126 VanDerWaalsContact O-N 3.09Å; S124-E127 WeakPolarHBondContact CB-OE2 3.46Å; S124-E127 PolarHBondContact N-OE2 3.13Å; S124-E127 PolarHBondContact O-N 2.84Å; S124-E127 VanDerWaalsContact OG-CD 3.3Å; S124-E127 WeakPolarHBondContact OG-CG 3.46Å; S124-E127 PolarHBondContact OG-OE2 3.44Å; S124-L128 PolarHBondContact O-N 3.3Å
125D75.8Confident78.1Confident101 Ų10188.9 Ų88.954%0.5452%0.517SS..Hα-helixtrans-54.3-32.1177.9-69.5-18000112.7C129D125-C129 WeakPolarHBondContact O-CB 3.43Å; D125-C129 PolarHBondContact O-N 2.93Å; D125-C129 PolarHBondContact O-SG 3.05Å; D125-C129 VanDerWaalsContact O-SG 3.36Å
126A73.2Confident78Confident64 Ų6482.3 Ų82.353%0.52949%0.493SS..Hα-helixtrans-69.4-44.8176.900000112.5S124 L128 C129 D130S124-A126 PolarHBondContact O-N 3.03Å; S124-A126 VanDerWaalsContact O-N 3.09Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.21Å; A126-C129 WeakPolarHBondContact O-CB 3.5Å; A126-C129 PolarHBondContact O-N 2.94Å; A126-D130 PolarHBondContact O-N 3Å
127E79Confident77.6Confident105 Ų10582.2 Ų82.249%0.49149%0.491SS..Hα-helixtrans-66.3-37.5177.8-69.4163.414200111.1A123 S124 D130 I131A123-E127 HydrophobicContact CB-CB 4.48Å; S124-E127 WeakPolarHBondContact CB-OE2 3.46Å; S124-E127 PolarHBondContact N-OE2 3.13Å; S124-E127 PolarHBondContact O-N 2.84Å; S124-E127 VanDerWaalsContact OG-CD 3.3Å; S124-E127 WeakPolarHBondContact OG-CG 3.46Å; S124-E127 PolarHBondContact OG-OE2 3.44Å; E127-D130 PolarHBondContact O-N 2.81Å; E127-I131 WeakPolarHBondContact O-CB 3.47Å; E127-I131 WeakPolarHBondContact O-CD1 3.26Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 3.09Å
128L78.4Confident77.1Confident60 Ų6081.6 Ų81.631%0.31449%0.488SS..Hα-helixtrans-64.1-39.7173.4-70.3171.8000112L120 A123 S124 A126 A132L120-L128 HydrophobicContact CG-CD2 4.38Å; A123-L128 HydrophobicContact CB-CD2 4.02Å; A123-L128 HydrophobicContact CB-CG 3.97Å; S124-L128 PolarHBondContact O-N 3.3Å; A126-L128 VanDerWaalsContact C-N 3.32Å; A126-L128 PolarHBondContact O-N 3.21Å; L128-A132 VanDerWaalsContact O-CB 3.27Å; L128-A132 WeakPolarHBondContact O-CB 3.5Å; L128-A132 PolarHBondContact O-N 3.47Å
129C70.6Confident76.5Confident85 Ų8579.7 Ų79.757%0.57449%0.486SS*.Hα-helixtrans-62.7-42.5173.6-81.20000112.3D125 A126 A132 A133D125-C129 WeakPolarHBondContact O-CB 3.43Å; D125-C129 PolarHBondContact O-N 2.93Å; D125-C129 PolarHBondContact O-SG 3.05Å; D125-C129 VanDerWaalsContact O-SG 3.36Å; A126-C129 WeakPolarHBondContact O-CB 3.5Å; A126-C129 PolarHBondContact O-N 2.94Å; C129-A132 PolarHBondContact O-N 3.47Å; C129-A133 WeakPolarHBondContact O-CB 3.5Å; C129-A133 PolarHBondContact O-N 3.09Å
130D75.4Confident75.9Confident106 Ų10681.8 Ų81.857%0.56749%0.49SS*.Hα-helixtrans-66.4-43.2177.9-72.9-21.3000111.6A126 E127 A132 A133 I134A126-D130 PolarHBondContact O-N 3Å; E127-D130 PolarHBondContact O-N 2.81Å; D130-A132 VanDerWaalsContact C-N 3.34Å; D130-A132 PolarHBondContact O-N 3.34Å; D130-A133 WeakPolarHBondContact O-CB 3.46Å; D130-A133 PolarHBondContact O-N 3.23Å; D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.36Å; D130-I134 PolarHBondContact O-N 3.3Å
131I79.2Confident75.3Confident75 Ų7581 Ų8139%0.38548%0.484SS..Hα-helixtrans-60.2-45174.1-69.7165000110.5E127 A133 I134 L135E127-I131 WeakPolarHBondContact O-CB 3.47Å; E127-I131 WeakPolarHBondContact O-CD1 3.26Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 3.09Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 2.99Å; I131-I134 PolarHBondContact O-N 3.34Å; I131-L135 HydrophobicContact CG2-CD1 3.55Å; I131-L135 HydrophobicContact CG2-CG 4.43Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 WeakPolarHBondContact O-CG 3.16Å; I131-L135 PolarHBondContact O-N 3.22Å
132A74.4Confident74.8Confident36 Ų3678 Ų7830%0.29846%0.458SS..Hα-helixtrans-63.4-34.6176.400000112.7L128 C129 D130 G136 M137L128-A132 VanDerWaalsContact O-CB 3.27Å; L128-A132 WeakPolarHBondContact O-CB 3.5Å; L128-A132 PolarHBondContact O-N 3.47Å; C129-A132 PolarHBondContact O-N 3.47Å; D130-A132 VanDerWaalsContact C-N 3.34Å; D130-A132 PolarHBondContact O-N 3.34Å; A132-G136 PolarHBondContact O-N 2.98Å; A132-G136 VanDerWaalsContact O-N 3.17Å; A132-M137 HydrophobicContact CB-CB 4.19Å; A132-M137 PolarHBondContact O-N 2.7Å
133A71.9Confident74.1Confident59 Ų5979.6 Ų79.649%0.48846%0.459SS..Hα-helixtrans-67.6-45.7174.900000111.4C129 D130 I131 G136C129-A133 WeakPolarHBondContact O-CB 3.5Å; C129-A133 PolarHBondContact O-N 3.09Å; D130-A133 WeakPolarHBondContact O-CB 3.46Å; D130-A133 PolarHBondContact O-N 3.23Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 2.99Å; A133-G136 PolarHBondContact O-N 3.24Å; A133-G136 VanDerWaalsContact O-N 3.16Å
134I79.4Confident73.4Confident146 Ų14683 Ų8375%0.74947%0.471SS*.Hα-helixtrans-63.2-42.1177.6-66.9164.5000111.2D130 I131 G136D130-I134 VanDerWaalsContact O-CG1 3.28Å; D130-I134 WeakPolarHBondContact O-CG1 3.36Å; D130-I134 PolarHBondContact O-N 3.3Å; I131-I134 PolarHBondContact O-N 3.34Å; I134-G136 PolarHBondContact O-N 3.33Å
135L79.5Confident72.8Confident123 Ų12381.2 Ų81.264%0.64446%0.456SS*.THydrogen-bonded Turntrans-75.1-6.8177.9-71.8164.2000113.4I131 M137I131-L135 HydrophobicContact CG2-CD1 3.55Å; I131-L135 HydrophobicContact CG2-CG 4.43Å; I131-L135 WeakPolarHBondContact O-CB 3.34Å; I131-L135 WeakPolarHBondContact O-CG 3.16Å; I131-L135 PolarHBondContact O-N 3.22Å; L135-M137 VanDerWaalsContact C-N 3.27Å; L135-M137 HydrophobicContact CB-CG 3.85Å; L135-M137 PolarHBondContact O-N 3.32Å
136G73.9Confident72.5Confident21 Ų2181 Ų8122%0.21645%0.449CS..THydrogen-bonded Turntrans71.518.1-179.400000114.5A132 A133 I134 H138 T139A132-G136 PolarHBondContact O-N 2.98Å; A132-G136 VanDerWaalsContact O-N 3.17Å; A133-G136 PolarHBondContact O-N 3.24Å; A133-G136 VanDerWaalsContact O-N 3.16Å; I134-G136 PolarHBondContact O-N 3.33Å; G136-H138 PolarHBondContact O-N 2.98Å; G136-H138 VanDerWaalsContact O-N 3.16Å; G136-T139 WeakPolarHBondContact O-CB 3.41Å; G136-T139 PolarHBondContact O-N 2.84Å; G136-T139 VanDerWaalsContact O-N 3.1Å; G136-T139 PolarHBondContact O-OG1 2.95Å
137M70.1Confident72.3Confident84 Ų8485.2 Ų85.241%0.41445%0.452SS..G310 helixtrans-65.6-19.1-175.1-65.5-67.2-74.800113.2A132 L135 T139 L140A132-M137 HydrophobicContact CB-CB 4.19Å; A132-M137 PolarHBondContact O-N 2.7Å; L135-M137 VanDerWaalsContact C-N 3.27Å; L135-M137 HydrophobicContact CB-CG 3.85Å; L135-M137 PolarHBondContact O-N 3.32Å; M137-T139 PolarHBondContact O-N 3.45Å; M137-L140 HydrophobicContact CE-CD1 4.02Å; M137-L140 WeakPolarHBondContact O-CB 3.47Å; M137-L140 PolarHBondContact O-N 2.87Å; M137-L140 HydrophobicContact SD-CD1 3.73Å
138H68.3Low71.8Confident90 Ų9083 Ų8342%0.41744%0.441SS..G310 helixtrans-59.6-26.7172.566.5-85.4000113.1G136 L140 M141G136-H138 PolarHBondContact O-N 2.98Å; G136-H138 VanDerWaalsContact O-N 3.16Å; H138-L140 PolarHBondContact O-N 2.99Å; H138-M141 WeakPolarHBondContact O-CB 3.4Å; H138-M141 PolarHBondContact O-N 2.75Å
139T68.9Low71.1Confident105 Ų10582.8 Ų82.864%0.64445%0.448SS*.G310 helixtrans-70.2-19.2175.262.60000113.1G136 M137G136-T139 WeakPolarHBondContact O-CB 3.41Å; G136-T139 PolarHBondContact O-N 2.84Å; G136-T139 VanDerWaalsContact O-N 3.1Å; G136-T139 PolarHBondContact O-OG1 2.95Å; M137-T139 PolarHBondContact O-N 3.45Å
140L69Low71Confident97 Ų9784.2 Ų84.251%0.50845%0.449SS..G310 helixtrans-92.8-8.8177.5-54.3178.5000112.1M137 H138 L161M137-L140 HydrophobicContact CE-CD1 4.02Å; M137-L140 WeakPolarHBondContact O-CB 3.47Å; M137-L140 PolarHBondContact O-N 2.87Å; M137-L140 HydrophobicContact SD-CD1 3.73Å; H138-L140 PolarHBondContact O-N 2.99Å; L140-L161 HydrophobicContact CB-CD2 3.54Å; L140-L161 VanDerWaalsContact O-CD2 3.28Å; L140-L161 WeakPolarHBondContact O-CD2 3.29Å
141M67.6Low70.5Confident77 Ų7783.5 Ų83.538%0.37946%0.458SS..SBendtrans-80.3145.5175.6-61.9177.667.800110.4H138 Q145 A149H138-M141 WeakPolarHBondContact O-CB 3.4Å; H138-M141 PolarHBondContact O-N 2.75Å; M141-Q145 HydrophobicContact CB-CB 4.24Å; M141-Q145 HydrophobicContact CE-CB 3.76Å; M141-A149 HydrophobicContact CE-CB 4.33Å
142S69Low69.6Low30 Ų3081.7 Ų81.721%0.2145%0.453CS..  trans-66.4152.9167.265.90000110.7Q144 Q145 Y146S142-Q144 PolarHBondContact O-N 3.27Å; S142-Q144 VanDerWaalsContact O-N 3.1Å; S142-Q145 PolarHBondContact O-N 2.93Å; S142-Q145 VanDerWaalsContact OG-CG 3.27Å; S142-Q145 WeakPolarHBondContact OG-CG 3.42Å; S142-Q145 PolarHBondContact OG-N 2.94Å; S142-Q145 PolarHBondContact OG-OE1 3.03Å; S142-Q145 VanDerWaalsContact OG-OE1 3.12Å; S142-Y146 PolarHBondContact O-N 2.8Å
143N69.4Low68.9Low128 Ų12885.9 Ų85.968%0.68448%0.48SS*.Hα-helixtrans-51.5-37.1175-75.6-40.3000112Y146 Y147N143-Y146 PolarHBondContact O-N 2.89Å; N143-Y147 HydrophobicContact CB-CE2 4.41Å; N143-Y147 WeakPolarHBondContact O-CD2 3.47Å; N143-Y147 PolarHBondContact O-N 3.12Å
144Q67.6Low68.2Low95 Ų9587.8 Ų87.844%0.44449%0.485SS..Hα-helixtrans-64.8-49.4177.8-177.4175.2-3.700111.9S142 Y146 Y147 E148S142-Q144 PolarHBondContact O-N 3.27Å; S142-Q144 VanDerWaalsContact O-N 3.1Å; Q144-Y146 VanDerWaalsContact C-N 3.25Å; Q144-Y146 PolarHBondContact O-N 2.75Å; Q144-Y147 PolarHBondContact O-N 3.5Å; Q144-E148 HydrophobicContact CG-CG 4.38Å; Q144-E148 VanDerWaalsContact CG-OE1 3.29Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.49Å; Q144-E148 PolarHBondContact NE2-OE1 2.84Å; Q144-E148 VanDerWaalsContact O-CB 3.28Å; Q144-E148 WeakPolarHBondContact O-CB 3.35Å; Q144-E148 VanDerWaalsContact O-CG 3.31Å; Q144-E148 WeakPolarHBondContact O-CG 3.44Å; Q144-E148 PolarHBondContact O-N 2.92Å
145Q68.3Low67.2Low19 Ų1986.7 Ų86.79%0.08948%0.48CS..Hα-helixtrans-59.3-38.8176.7-73.6167.8-32.800111.7M141 S142 A149 N157 Q159M141-Q145 HydrophobicContact CB-CB 4.24Å; M141-Q145 HydrophobicContact CE-CB 3.76Å; S142-Q145 PolarHBondContact O-N 2.93Å; S142-Q145 VanDerWaalsContact OG-CG 3.27Å; S142-Q145 WeakPolarHBondContact OG-CG 3.42Å; S142-Q145 PolarHBondContact OG-N 2.94Å; S142-Q145 PolarHBondContact OG-OE1 3.03Å; S142-Q145 VanDerWaalsContact OG-OE1 3.12Å; Q145-A149 VanDerWaalsContact O-CB 3.27Å; Q145-A149 WeakPolarHBondContact O-CB 3.37Å; Q145-A149 PolarHBondContact O-N 2.96Å; Q145-N157 HydrophobicContact CG-CB 3.89Å; Q145-N157 VanDerWaalsContact CG-ND2 3.35Å; Q145-N157 WeakPolarHBondContact CG-ND2 3.34Å; Q145-Q159 PolarHBondContact NE2-O 3.48Å
146Y70.3Confident66.2Low96 Ų9685.2 Ų85.238%0.37648%0.476SS..Hα-helixtrans-63.8-51.4178179.1-102.1000112.3S142 N143 Q144 E148 A149 L150S142-Y146 PolarHBondContact O-N 2.8Å; N143-Y146 PolarHBondContact O-N 2.89Å; Q144-Y146 VanDerWaalsContact C-N 3.25Å; Q144-Y146 PolarHBondContact O-N 2.75Å; Y146-E148 PolarHBondContact O-N 2.77Å; Y146-A149 PolarHBondContact O-N 2.98Å; Y146-L150 HydrophobicContact CD1-CD1 3.93Å; Y146-L150 HydrophobicContact CE1-CD1 3.36Å; Y146-L150 HydrophobicContact CE1-CG 4.32Å; Y146-L150 HydrophobicContact CE2-CD1 4.4Å; Y146-L150 PolarHBondContact O-N 3.06Å
147Y68.9Low65.5Low153 Ų15385.8 Ų85.860%0.647%0.474SS*.Hα-helixtrans-67.8-35.5179.6-72.8-62.8000113.1N143 Q144 L150 A151N143-Y147 HydrophobicContact CB-CE2 4.41Å; N143-Y147 WeakPolarHBondContact O-CD2 3.47Å; N143-Y147 PolarHBondContact O-N 3.12Å; Q144-Y147 PolarHBondContact O-N 3.5Å; Y147-L150 HydrophobicContact CD1-CD1 4.39Å; Y147-L150 PolarHBondContact O-N 2.96Å; Y147-A151 WeakPolarHBondContact O-CB 3.49Å; Y147-A151 PolarHBondContact O-N 2.94Å
148E67.6Low65.2Low58 Ų5891.1 Ų91.127%0.27150%0.495SS..Hα-helixtrans-64.8-39.6174.7-79.6175.7-175.600112.1Q144 Y146 A151 S152 V156Q144-E148 HydrophobicContact CG-CG 4.38Å; Q144-E148 VanDerWaalsContact CG-OE1 3.29Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.49Å; Q144-E148 PolarHBondContact NE2-OE1 2.84Å; Q144-E148 VanDerWaalsContact O-CB 3.28Å; Q144-E148 WeakPolarHBondContact O-CB 3.35Å; Q144-E148 VanDerWaalsContact O-CG 3.31Å; Q144-E148 WeakPolarHBondContact O-CG 3.44Å; Q144-E148 PolarHBondContact O-N 2.92Å; Y146-E148 PolarHBondContact O-N 2.77Å; E148-A151 PolarHBondContact O-N 2.9Å; E148-S152 PolarHBondContact O-N 2.92Å; E148-S152 VanDerWaalsContact O-N 3.1Å; E148-S152 PolarHBondContact O-OG 3.08Å; E148-V156 HydrophobicContact CB-CG2 3.65Å; E148-V156 HydrophobicContact CG-CG2 4.34Å
149A64.7Low64.7Low55 Ų5592.4 Ų92.446%0.45550%0.501SS..Hα-helixtrans-69.1-33.5174.200000112.9M141 Q145 Y146M141-A149 HydrophobicContact CE-CB 4.33Å; Q145-A149 VanDerWaalsContact O-CB 3.27Å; Q145-A149 WeakPolarHBondContact O-CB 3.37Å; Q145-A149 PolarHBondContact O-N 2.96Å; Y146-A149 PolarHBondContact O-N 2.98Å
150L67.2Low64.2Low115 Ų11590 Ų9060%0.60250%0.497SS*.Hα-helixtrans-69.7-34.8173.7-76.4174.4000112.8Y146 Y147Y146-L150 HydrophobicContact CD1-CD1 3.93Å; Y146-L150 HydrophobicContact CE1-CD1 3.36Å; Y146-L150 HydrophobicContact CE1-CG 4.32Å; Y146-L150 HydrophobicContact CE2-CD1 4.4Å; Y146-L150 PolarHBondContact O-N 3.06Å; Y147-L150 HydrophobicContact CD1-CD1 4.39Å; Y147-L150 PolarHBondContact O-N 2.96Å
151A64.4Low63.9Low91 Ų9191.2 Ų91.275%0.75250%0.504SS*.Hα-helixtrans-85.7-17.9-175.800000113.6Y147 E148Y147-A151 WeakPolarHBondContact O-CB 3.49Å; Y147-A151 PolarHBondContact O-N 2.94Å; E148-A151 PolarHBondContact O-N 2.9Å
152S60.4Low63.4Low38 Ų3895.3 Ų95.327%0.26653%0.527SS..  trans-133.1139.3-175.669.60000112.1E148 T154 V156E148-S152 PolarHBondContact O-N 2.92Å; E148-S152 VanDerWaalsContact O-N 3.1Å; E148-S152 PolarHBondContact O-OG 3.08Å; S152-T154 PolarHBondContact O-N 2.95Å; S152-T154 VanDerWaalsContact O-N 3.08Å; S152-T154 PolarHBondContact OG-O 2.98Å; S152-V156 WeakPolarHBondContact OG-CG2 3.35Å
153S61.1Low62.9Low124 Ų12495.4 Ų95.487%0.86753%0.527SS*.SBendtrans-7614.1177.4-39.30000113.2
154T56.6Low62.5Low99 Ų9995 Ų9561%0.60753%0.53SS*.SBendtrans-143138.7-170.3-44.50000109.4S152 V156S152-T154 PolarHBondContact O-N 2.95Å; S152-T154 VanDerWaalsContact O-N 3.08Å; S152-T154 PolarHBondContact OG-O 2.98Å; T154-V156 PolarHBondContact O-N 3.03Å
155I58.8Low62.3Low122 Ų12298 Ų9863%0.62655%0.547SS*.  trans-68.295.1179.9-56.3168.4000109.5
156V58.3Low62.2Low93 Ų93102.9 Ų102.956%0.56457%0.57SS**  trans-78.6-22.4-179-90.60000113.1E148 S152 T154E148-V156 HydrophobicContact CB-CG2 3.65Å; E148-V156 HydrophobicContact CG-CG2 4.34Å; S152-V156 WeakPolarHBondContact OG-CG2 3.35Å; T154-V156 PolarHBondContact O-N 3.03Å
157N59.7Low61.8Low33 Ų33104.1 Ų104.118%0.17659%0.591CS.*  trans-118.5105-177.5-166.4-28.7000111.4Q145 Q159Q145-N157 HydrophobicContact CG-CB 3.89Å; Q145-N157 VanDerWaalsContact CG-ND2 3.35Å; Q145-N157 WeakPolarHBondContact CG-ND2 3.34Å; N157-Q159 VanDerWaalsContact OD1-CB 3.31Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.39Å; N157-Q159 PolarHBondContact OD1-N 2.82Å
158K62.4Low61.9Low195 Ų195103.5 Ų103.585%0.84860%0.603SS**  trans-945.5177-61.6-175.7-179.9-176.70113.4G160K158-G160 PolarHBondContact O-N 2.82Å
159Q58.8Low62.2Low117 Ų117108.5 Ų108.555%0.54763%0.627SS.*  trans-71.2121176.9-59.5-175.20.200107.6Q145 N157Q145-Q159 PolarHBondContact NE2-O 3.48Å; N157-Q159 VanDerWaalsContact OD1-CB 3.31Å; N157-Q159 WeakPolarHBondContact OD1-CB 3.39Å; N157-Q159 PolarHBondContact OD1-N 2.82Å
160G59.1Low62.8Low55 Ų55115 Ų11557%0.56764%0.641SS**  trans-60.9178.4-178.600000113.1K158 N162 S163K158-G160 PolarHBondContact O-N 2.82Å; G160-N162 PolarHBondContact O-N 3.39Å; G160-S163 PolarHBondContact O-N 3.02Å
161L60.8Low63.4Low123 Ų123118.1 Ų118.164%0.64465%0.65SS**THydrogen-bonded Turntrans-52.3-9.8-178.9-72.7150.2000115.7L140 S163L140-L161 HydrophobicContact CB-CD2 3.54Å; L140-L161 VanDerWaalsContact O-CD2 3.28Å; L140-L161 WeakPolarHBondContact O-CD2 3.29Å; L161-S163 VanDerWaalsContact C-N 3.34Å
162N57.7Low64.3Low163 Ų163118.9 Ų118.987%0.87265%0.647SS**THydrogen-bonded Turntrans-91.820.7175.4-67-28.5000113.7G160 V164G160-N162 PolarHBondContact O-N 3.39Å; N162-V164 PolarHBondContact O-N 3.02Å
163S58.1Low65.2Low31 Ų31122.1 Ų122.122%0.21767%0.665CS.*  trans-66.1122.3178.173.10000110.7G160 L161 I165G160-S163 PolarHBondContact O-N 3.02Å; L161-S163 VanDerWaalsContact C-N 3.34Å; S163-I165 PolarHBondContact O-N 3.43Å
164V62.8Low66.1Low121 Ų121121.5 Ų121.573%0.73366%0.658SS**  trans-68.2124.7171.6178.20000107.3N162 Q166N162-V164 PolarHBondContact O-N 3.02Å; V164-Q166 PolarHBondContact O-N 2.86Å
165I63.1Low67.2Low158 Ų158124.7 Ų124.781%0.8167%0.671SS**  trans-57.1111.1176.3-62169.4000108.2S163S163-I165 PolarHBondContact O-N 3.43Å
166Q65.8Low68.1Low121 Ų121127.3 Ų127.357%0.56568%0.681SS**PPolyproline II helixtrans-90.6146.9174.9-63.8-172.7-5.600109.8V164 T168V164-Q166 PolarHBondContact O-N 2.86Å; Q166-T168 PolarHBondContact O-N 2.8Å
167C61.8Low69.3Low122 Ų122131.5 Ų131.582%0.82469%0.694SS**PPolyproline II helixtrans-59.9137.6169.8-59.70000109.6Q169C167-Q169 PolarHBondContact O-N 3.01Å; C167-Q169 VanDerWaalsContact O-N 3.12Å
168T70Confident70.6Confident139 Ų139135.6 Ų135.685%0.85372%0.722SS**PPolyproline II helixtrans-57.6118.4175.3-46.50000109.4Q166 Y170Q166-T168 PolarHBondContact O-N 2.8Å; T168-Y170 PolarHBondContact O-N 3.36Å
169Q74.8Confident71.9Confident164 Ų164128.5 Ų128.577%0.76669%0.694SS**PPolyproline II helixtrans-72.2124.1174.6-65.8-172.81.600108.8C167 K171C167-Q169 PolarHBondContact O-N 3.01Å; C167-Q169 VanDerWaalsContact O-N 3.12Å; Q169-K171 PolarHBondContact O-N 3.47Å; Q169-K171 VanDerWaalsContact O-N 3.15Å
170Y76.8Confident73.4Confident191 Ų191128.7 Ų128.775%0.74971%0.708SS**PPolyproline II helixtrans-61.7116.9172.9-179.4-101.9000108.6T168 P172T168-Y170 PolarHBondContact O-N 3.36Å; Y170-P172 HydrophobicContact CE1-CB 4.5Å; Y170-P172 VanDerWaalsContact O-CD 3.26Å; Y170-P172 WeakPolarHBondContact O-CD 3.3Å
171K80.4Confident75Confident181 Ų181128.1 Ų128.179%0.78769%0.694SS**  trans-75.2112.2169.3-67.8-177.6-178.7178.70106.6Q169 V173Q169-K171 PolarHBondContact O-N 3.47Å; Q169-K171 VanDerWaalsContact O-N 3.15Å; K171-V173 PolarHBondContact O-N 3.48Å; K171-V173 VanDerWaalsContact O-N 3.1Å
172P82.3Confident76.6Confident106 Ų106126 Ų12669%0.68868%0.683SS**PPolyproline II helixtrans-59.6121174.526.1-32.3000107.7Y170 P174Y170-P172 HydrophobicContact CE1-CB 4.5Å; Y170-P172 VanDerWaalsContact O-CD 3.26Å; Y170-P172 WeakPolarHBondContact O-CD 3.3Å; P172-P174 WeakPolarHBondContact O-CD 3.31Å
173V80.8Confident78.4Confident107 Ų107118.9 Ų118.965%0.64865%0.645SS**PPolyproline II helixtrans-75.4119.2170.5-1770000105.6K171 D175K171-V173 PolarHBondContact O-N 3.48Å; K171-V173 VanDerWaalsContact O-N 3.1Å; V173-D175 PolarHBondContact O-N 3.34Å
174P78.5Confident80.1Confident111 Ų111122.9 Ų122.972%0.72166%0.66SS**PPolyproline II helixtrans-57.5133.9173.5-21.533.3000109.2P172 E176P172-P174 WeakPolarHBondContact O-CD 3.31Å; P174-E176 PolarHBondContact O-N 3.13Å
175D79.8Confident81.6Confident165 Ų165121.6 Ų121.688%0.88265%0.646SS**PPolyproline II helixtrans-61.8121.1173.2-74.1-34.1000108.6V173V173-D175 PolarHBondContact O-N 3.34Å
176E79.3Confident83.2Confident178 Ų178114.8 Ų114.883%0.83261%0.613SS**PPolyproline II helixtrans-64.2141.6172.4-67.1-176.5172.800109.7P174P174-E176 PolarHBondContact O-N 3.13Å
177E83.6Confident84.6Confident180 Ų180109.9 Ų109.984%0.84159%0.59SS**PPolyproline II helixtrans-60.4138.9176.3-67.1-173.1171.900110.3
178P86.1Confident86.3Confident119 Ų119108.2 Ų108.277%0.77357%0.571SS**PPolyproline II helixtrans-56.7144176.2-23.332.9000111.7S180P178-S180 PolarHBondContact O-N 3.37Å
179N89.4Confident87.5Confident47 Ų47106.5 Ų106.525%0.25155%0.549SS..PPolyproline II helixtrans-57.2122.2175.1-177-7.4000110.4T181 N201 N203 I205N179-T181 VanDerWaalsContact C-N 3.33Å; N179-T181 VanDerWaalsContact OD1-CB 3.25Å; N179-T181 WeakPolarHBondContact OD1-CB 3.3Å; N179-T181 PolarHBondContact OD1-N 3.06Å; N179-T181 PolarHBondContact OD1-OG1 3.4Å; N179-N201 PolarHBondContact ND2-O 2.98Å; N179-N203 VanDerWaalsContact CB-O 3.25Å; N179-N203 WeakPolarHBondContact CB-O 3.35Å; N179-N203 PolarHBondContact ND2-N 3.36Å; N179-N203 PolarHBondContact ND2-O 3.42Å; N179-I205 HydrophobicContact CB-CD1 4.47Å; N179-I205 HydrophobicContact CB-CG1 3.89Å
180S90.9Very high88.6Confident120 Ų12098.8 Ų98.884%0.83951%0.513SS*.  trans-88.54.2-175.856.60000114.1P178 D182P178-S180 PolarHBondContact O-N 3.37Å; S180-D182 PolarHBondContact O-N 3.23Å
181T92.4Very high89.5Confident44 Ų4495.5 Ų95.527%0.2750%0.503SS..  trans-65.3123.4-177.6-57.30000111.2N179 V183 N201 L202N179-T181 VanDerWaalsContact C-N 3.33Å; N179-T181 VanDerWaalsContact OD1-CB 3.25Å; N179-T181 WeakPolarHBondContact OD1-CB 3.3Å; N179-T181 PolarHBondContact OD1-N 3.06Å; N179-T181 PolarHBondContact OD1-OG1 3.4Å; T181-V183 PolarHBondContact O-N 3.08Å; T181-N201 PolarHBondContact OG1-O 3.18Å; T181-L202 HydrophobicContact CG2-CD2 3.98Å
182D94.7Very high90.2Very high78 Ų7895.9 Ų95.942%0.41750%0.499SS..  trans-75.3119.7173.3-172.7-53.2000110.2S180 E184 E185 T186S180-D182 PolarHBondContact O-N 3.23Å; D182-E184 PolarHBondContact OD1-N 2.74Å; D182-E185 HydrophobicContact CB-CB 4Å; D182-E185 WeakPolarHBondContact OD1-CB 3.35Å; D182-E185 PolarHBondContact OD1-N 3.5Å; D182-T186 WeakPolarHBondContact O-CB 3.45Å; D182-T186 PolarHBondContact O-N 2.88Å; D182-T186 VanDerWaalsContact O-N 3.13Å; D182-T186 PolarHBondContact O-OG1 3.01Å
183V94.4Very high90.8Very high14 Ų1493.5 Ų93.59%0.08548%0.481CS..Hα-helixtrans-73.3-41.5-172.1-176.60000111.4T181 L187 L202 I205 I208 I212 Y216T181-V183 PolarHBondContact O-N 3.08Å; V183-L187 WeakPolarHBondContact O-CB 3.46Å; V183-L187 PolarHBondContact O-N 3.46Å; V183-L187 VanDerWaalsContact O-N 3.16Å; V183-L202 HydrophobicContact CG2-CD2 4.47Å; V183-I205 HydrophobicContact CG2-CD1 4.04Å; V183-I205 HydrophobicContact CG2-CG2 4.04Å; V183-I208 HydrophobicContact CG1-CD1 4.42Å; V183-I208 HydrophobicContact CG1-CG2 4.13Å; V183-I208 HydrophobicContact CG2-CD1 4.09Å; V183-I208 HydrophobicContact CG2-CG1 4.22Å; V183-I212 HydrophobicContact CG1-CG2 3.67Å; V183-Y216 HydrophobicContact CG1-CE2 3.84Å; V183-Y216 PolarHBondContact O-OH 2.67Å
184E93.8Very high91.5Very high114 Ų11490.1 Ų90.153%0.53346%0.459SS..Hα-helixtrans-74.5-42.9-179.3-72.980.4-173.700112D182 L187 M188D182-E184 PolarHBondContact OD1-N 2.74Å; E184-L187 PolarHBondContact O-N 2.94Å; E184-M188 WeakPolarHBondContact O-CG 3.4Å; E184-M188 PolarHBondContact O-N 3.32Å
185E95.1Very high92.3Very high94 Ų9489.4 Ų89.444%0.43945%0.454SS..Hα-helixtrans-63.5-46.6178.5-170.6-175.8170.700110.5D182 L187 M188 R189D182-E185 HydrophobicContact CB-CB 4Å; D182-E185 WeakPolarHBondContact OD1-CB 3.35Å; D182-E185 PolarHBondContact OD1-N 3.5Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.91Å; E185-M188 WeakPolarHBondContact O-CB 3.32Å; E185-M188 PolarHBondContact O-N 3.35Å; E185-M188 VanDerWaalsContact O-N 3.1Å; E185-R189 WeakPolarHBondContact O-CG 3.25Å; E185-R189 PolarHBondContact O-N 3.07Å; E185-R189 IonicContact OE1-CZ 3.35Å; E185-R189 IonicContact OE1-NE 3.23Å; E185-R189 PolarHBondContact OE1-NE 2.89Å; E185-R189 IonicContact OE1-NH2 2.69Å; E185-R189 PolarHBondContact OE1-NH2 3.39Å
186T96Very high93.1Very high16 Ų1688.3 Ų88.310%0.09845%0.448CS..Hα-helixtrans-63.1-39.6179.5-58.20000110.8D182 M188 R189 V190 L197 V200 Y216D182-T186 WeakPolarHBondContact O-CB 3.45Å; D182-T186 PolarHBondContact O-N 2.88Å; D182-T186 VanDerWaalsContact O-N 3.13Å; D182-T186 PolarHBondContact O-OG1 3.01Å; T186-M188 VanDerWaalsContact C-N 3.29Å; T186-M188 PolarHBondContact O-N 3.33Å; T186-R189 PolarHBondContact O-N 3.17Å; T186-R189 VanDerWaalsContact O-N 3.15Å; T186-V190 WeakPolarHBondContact O-CG2 3.09Å; T186-V190 PolarHBondContact O-N 3.17Å; T186-L197 HydrophobicContact CG2-CD1 4.39Å; T186-L197 HydrophobicContact CG2-CD2 4.06Å; T186-V200 HydrophobicContact CG2-CG1 4.01Å; T186-V200 HydrophobicContact CG2-CG2 4.16Å; T186-Y216 WeakPolarHBondContact CB-OH 3.47Å; T186-Y216 HydrophobicContact CG2-CE1 4.33Å
187L96.6Very high93.8Very high17 Ų1781 Ų819%0.08942%0.415CS..Hα-helixtrans-60.5-40.417517959.2000111.7V183 E184 E185 V190 K191 I212 A215 Y216 A219V183-L187 WeakPolarHBondContact O-CB 3.46Å; V183-L187 PolarHBondContact O-N 3.46Å; V183-L187 VanDerWaalsContact O-N 3.16Å; E184-L187 PolarHBondContact O-N 2.94Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.91Å; L187-V190 PolarHBondContact O-N 3.39Å; L187-K191 HydrophobicContact CG-CD 4.48Å; L187-K191 WeakPolarHBondContact O-CG 3.4Å; L187-K191 PolarHBondContact O-N 3.09Å; L187-I212 HydrophobicContact CD2-CG2 4.34Å; L187-A215 HydrophobicContact CD1-CB 4.39Å; L187-A215 HydrophobicContact CD2-CB 4.02Å; L187-Y216 HydrophobicContact CB-CD2 4.46Å; L187-Y216 HydrophobicContact CB-CE1 4.22Å; L187-Y216 HydrophobicContact CB-CE2 3.78Å; L187-Y216 HydrophobicContact CD1-CD1 4.06Å; L187-Y216 HydrophobicContact CD1-CD2 3.91Å; L187-Y216 HydrophobicContact CD1-CE1 4.26Å; L187-Y216 HydrophobicContact CD1-CE2 4.1Å; L187-Y216 HydrophobicContact CD1-CG 3.88Å; L187-Y216 HydrophobicContact CG-CE2 4.34Å; L187-Y216 PolarHBondContact N-OH 3.06Å; L187-A219 HydrophobicContact CD1-CB 4.19Å
188M96.1Very high94.4Very high87 Ų8775 Ų7543%0.42939%0.39SS..Hα-helixtrans-66.3-38.1176.8-71.5-63.7-70.700112E184 E185 T186 K191 R192E184-M188 WeakPolarHBondContact O-CG 3.4Å; E184-M188 PolarHBondContact O-N 3.32Å; E185-M188 WeakPolarHBondContact O-CB 3.32Å; E185-M188 PolarHBondContact O-N 3.35Å; E185-M188 VanDerWaalsContact O-N 3.1Å; T186-M188 VanDerWaalsContact C-N 3.29Å; T186-M188 PolarHBondContact O-N 3.33Å; M188-K191 PolarHBondContact O-N 3.04Å; M188-K191 HydrophobicContact SD-CD 4.49Å; M188-R192 VanDerWaalsContact O-CG 3.32Å; M188-R192 WeakPolarHBondContact O-CG 3.48Å; M188-R192 PolarHBondContact O-N 3.21Å
189R96.3Very high94.9Very high103 Ų10373.6 Ų73.639%0.38937%0.374SS..Hα-helixtrans-65.7-43.2174.2-67.7-178.1-175.6-159.35.1112E185 T186 K191 R192 N193 D194 L197E185-R189 WeakPolarHBondContact O-CG 3.25Å; E185-R189 PolarHBondContact O-N 3.07Å; E185-R189 IonicContact OE1-CZ 3.35Å; E185-R189 IonicContact OE1-NE 3.23Å; E185-R189 PolarHBondContact OE1-NE 2.89Å; E185-R189 IonicContact OE1-NH2 2.69Å; E185-R189 PolarHBondContact OE1-NH2 3.39Å; T186-R189 PolarHBondContact O-N 3.17Å; T186-R189 VanDerWaalsContact O-N 3.15Å; R189-K191 VanDerWaalsContact C-N 3.33Å; R189-K191 PolarHBondContact O-N 3.35Å; R189-R192 CarbonylContact O-C 3.37Å; R189-R192 PolarHBondContact O-N 3.17Å; R189-R192 VanDerWaalsContact O-N 3.13Å; R189-N193 PolarHBondContact O-N 3.27Å; R189-N193 VanDerWaalsContact O-N 3.13Å; R189-D194 HydrophobicContact CB-CB 4.06Å; R189-D194 PolarHBondContact O-N 3.39Å; R189-L197 HydrophobicContact CB-CD2 3.75Å
190V96.7Very high95.3Very high2 Ų271.5 Ų71.51%0.01236%0.362CS..Hα-helixtrans-58.6-45.1174175.80000110.8T186 L187 R192 N193 L197 V200 Y216 A219 L220 N223 V226T186-V190 WeakPolarHBondContact O-CG2 3.09Å; T186-V190 PolarHBondContact O-N 3.17Å; L187-V190 PolarHBondContact O-N 3.39Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 PolarHBondContact O-N 3.06Å; V190-N193 PolarHBondContact O-N 3Å; V190-N193 VanDerWaalsContact O-N 3.13Å; V190-L197 HydrophobicContact CG2-CD2 3.56Å; V190-V200 HydrophobicContact CG2-CG2 3.85Å; V190-Y216 HydrophobicContact CG2-CD1 4.46Å; V190-Y216 HydrophobicContact CG2-CE1 4.17Å; V190-A219 HydrophobicContact CG1-CB 3.81Å; V190-L220 HydrophobicContact CG1-CD2 3.71Å; V190-L220 HydrophobicContact CG1-CG 4.02Å; V190-N223 HydrophobicContact CG1-CB 4.43Å; V190-N223 PolarHBondContact O-ND2 3.16Å; V190-V226 HydrophobicContact CG2-CG2 4.33Å
191K95.8Very high95.5Very high122 Ų12268.4 Ų68.453%0.5334%0.336SS..Hα-helixtrans-63.6-31.7177.2-75.8177.5179179.30113.5L187 M188 R189 N193 A219L187-K191 HydrophobicContact CG-CD 4.48Å; L187-K191 WeakPolarHBondContact O-CG 3.4Å; L187-K191 PolarHBondContact O-N 3.09Å; M188-K191 PolarHBondContact O-N 3.04Å; M188-K191 HydrophobicContact SD-CD 4.49Å; R189-K191 VanDerWaalsContact C-N 3.33Å; R189-K191 PolarHBondContact O-N 3.35Å; K191-N193 VanDerWaalsContact C-N 3.28Å; K191-A219 HydrophobicContact CG-CB 3.66Å
192R96.2Very high95.7Very high190 Ų19066.3 Ų66.372%0.71732%0.323SS*.Hα-helixtrans-83.2-3.7177.2-71.5174.3-177.8176.72.4113.3M188 R189 V190 D194M188-R192 VanDerWaalsContact O-CG 3.32Å; M188-R192 WeakPolarHBondContact O-CG 3.48Å; M188-R192 PolarHBondContact O-N 3.21Å; R189-R192 CarbonylContact O-C 3.37Å; R189-R192 PolarHBondContact O-N 3.17Å; R189-R192 VanDerWaalsContact O-N 3.13Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 PolarHBondContact O-N 3.06Å; R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D194 PolarHBondContact O-N 3.4Å
193N94.9Very high95.7Very high56 Ų5664.1 Ų64.130%0.29931%0.312SS..THydrogen-bonded Turntrans55.347.1-175.9-156.836.6000112R189 V190 K191 N223 T224 V225R189-N193 PolarHBondContact O-N 3.27Å; R189-N193 VanDerWaalsContact O-N 3.13Å; V190-N193 PolarHBondContact O-N 3Å; V190-N193 VanDerWaalsContact O-N 3.13Å; K191-N193 VanDerWaalsContact C-N 3.28Å; N193-N223 VanDerWaalsContact OD1-CG 3.31Å; N193-N223 PolarHBondContact OD1-ND2 2.85Å; N193-N223 PolarHBondContact OD1-OD1 2.93Å; N193-T224 PolarHBondContact ND2-OG1 2.93Å; N193-T224 PolarHBondContact OD1-N 3.22Å; N193-V225 WeakPolarHBondContact OD1-CG2 3.38Å
194D95.8Very high95.6Very high36 Ų3668.3 Ų68.319%0.19333%0.334CS..  trans-56121179.7-173.3-13.1000110.8R189 R192 D196 L197 V225R189-D194 HydrophobicContact CB-CB 4.06Å; R189-D194 PolarHBondContact O-N 3.39Å; R192-D194 VanDerWaalsContact C-N 3.31Å; R192-D194 PolarHBondContact O-N 3.4Å; D194-D196 PolarHBondContact O-N 3.16Å; D194-D196 PolarHBondContact OD1-N 3.42Å; D194-D196 VanDerWaalsContact OD1-N 3.15Å; D194-L197 HydrophobicContact CB-CB 4.14Å; D194-L197 PolarHBondContact O-N 3.08Å; D194-V225 WeakPolarHBondContact O-CG1 3.38Å
195P95.1Very high95.5Very high95 Ų9564 Ų6462%0.61731%0.314SS*.THydrogen-bonded Turntrans-64.8-21.8-176.627.2-36.4000113.9V225P195-V225 WeakPolarHBondContact O-CG1 3.35Å
196D95.4Very high95Very high143 Ų14367.9 Ų67.977%0.76533%0.33SS*.THydrogen-bonded Turntrans-86.8-12.9-178.3-65.3-29.4000112.3D194 V198D194-D196 PolarHBondContact O-N 3.16Å; D194-D196 PolarHBondContact OD1-N 3.42Å; D194-D196 VanDerWaalsContact OD1-N 3.15Å; D196-V198 PolarHBondContact O-N 3.3Å; D196-V198 VanDerWaalsContact O-N 3.16Å
197L95.4Very high94.5Very high23 Ų2373.3 Ų73.312%0.1236%0.358CS..  trans-90.975.8-175.5-169.865.5000111.9T186 R189 V190 D194 V200 V226T186-L197 HydrophobicContact CG2-CD1 4.39Å; T186-L197 HydrophobicContact CG2-CD2 4.06Å; R189-L197 HydrophobicContact CB-CD2 3.75Å; V190-L197 HydrophobicContact CG2-CD2 3.56Å; D194-L197 HydrophobicContact CB-CB 4.14Å; D194-L197 PolarHBondContact O-N 3.08Å; L197-V200 HydrophobicContact CD1-CG2 4.2Å; L197-V200 HydrophobicContact CD2-CG2 3.93Å; L197-V200 HydrophobicContact CG-CG2 3.94Å; L197-V226 HydrophobicContact CG-CG2 4.48Å; L197-V226 VanDerWaalsContact O-CG2 3.3Å; L197-V226 WeakPolarHBondContact O-CG2 3.34Å
198V96.3Very high94.3Very high54 Ų5473.2 Ų73.233%0.32736%0.357SS..  trans-79.8-29.5179.4-1790000112.5D196 V225 E227 R228D196-V198 PolarHBondContact O-N 3.3Å; D196-V198 VanDerWaalsContact O-N 3.16Å; V198-V225 HydrophobicContact CG2-CG1 4.48Å; V198-E227 HydrophobicContact CG1-CB 4.09Å; V198-E227 HydrophobicContact CG1-CG 4.03Å; V198-E227 PolarHBondContact O-N 3.32Å; V198-R228 PolarHBondContact O-N 3.47Å
199E96.4Very high94.3Very high91 Ų9172.2 Ų72.243%0.42536%0.357SS..EExtended strand (participates in β ladder)trans-130.8130.8-175.4178.2167.5177.500111.2R228E199-R228 HydrophobicContact CB-CB 4.23Å; E199-R228 HydrophobicContact CG-CB 3.96Å; E199-R228 IonicContact OE2-CZ 2.55Å; E199-R228 IonicContact OE2-NE 2.68Å; E199-R228 PolarHBondContact OE2-NE 3.36Å; E199-R228 IonicContact OE2-NH2 3.93Å; E199-R228 PolarHBondContact OE2-NH2 2.94Å
200V97Very high94.2Very high2 Ų269.5 Ų69.51%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-118.3109176.3174.90000108T186 V190 L197 L202 Y216 V226 R228 F229 S230T186-V200 HydrophobicContact CG2-CG1 4.01Å; T186-V200 HydrophobicContact CG2-CG2 4.16Å; V190-V200 HydrophobicContact CG2-CG2 3.85Å; L197-V200 HydrophobicContact CD1-CG2 4.2Å; L197-V200 HydrophobicContact CD2-CG2 3.93Å; L197-V200 HydrophobicContact CG-CG2 3.94Å; V200-L202 HydrophobicContact CG1-CD2 4.49Å; V200-L202 HydrophobicContact CG1-CG 4.21Å; V200-Y216 HydrophobicContact CG1-CD1 4.39Å; V200-Y216 HydrophobicContact CG1-CE1 3.9Å; V200-V226 HydrophobicContact CB-CG1 4.44Å; V200-V226 HydrophobicContact CG2-CG1 3.99Å; V200-V226 HydrophobicContact CG2-CG2 3.98Å; V200-R228 PolarHBondContact N-O 3.22Å; V200-F229 HydrophobicContact CB-CD2 3.86Å; V200-F229 HydrophobicContact CB-CE2 4.47Å; V200-F229 HydrophobicContact CG1-CD2 3.64Å; V200-F229 HydrophobicContact CG1-CE2 3.75Å; V200-F229 WeakPolarHBondContact O-CA 3.38Å; V200-S230 PolarHBondContact O-N 2.58Å
201N96.1Very high94.2Very high55 Ų5573.9 Ų73.929%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-116.5105.9-177.8-179-7.3000110.6N179 T181 N203N179-N201 PolarHBondContact ND2-O 2.98Å; T181-N201 PolarHBondContact OG1-O 3.18Å; N201-N203 WeakPolarHBondContact OD1-CB 3.41Å; N201-N203 PolarHBondContact OD1-N 3.33Å; N201-N203 PolarHBondContact OD1-ND2 3.12Å; N201-N203 PolarHBondContact OD1-OD1 2.9Å
202L95.9Very high94.2Very high0 Ų069.7 Ų69.70%036%0.362CS..  trans-106.822.9176.5-53.9179000111.8T181 V183 V200 I205 I208 L213 Y216 F229 S230 I231 T234T181-L202 HydrophobicContact CG2-CD2 3.98Å; V183-L202 HydrophobicContact CG2-CD2 4.47Å; V200-L202 HydrophobicContact CG1-CD2 4.49Å; V200-L202 HydrophobicContact CG1-CG 4.21Å; L202-I205 HydrophobicContact CB-CD1 4.19Å; L202-I205 HydrophobicContact CD2-CD1 4.03Å; L202-I208 HydrophobicContact CB-CD1 4.09Å; L202-I208 HydrophobicContact CD1-CD1 4.33Å; L202-L213 HydrophobicContact CD1-CD2 4.36Å; L202-Y216 HydrophobicContact CD1-CD1 4.49Å; L202-Y216 HydrophobicContact CD1-CD2 4.13Å; L202-Y216 HydrophobicContact CD1-CE1 4.17Å; L202-Y216 HydrophobicContact CD1-CE2 3.81Å; L202-Y216 HydrophobicContact CD1-CG 4.47Å; L202-F229 HydrophobicContact CD1-CE2 4.17Å; L202-S230 PolarHBondContact N-O 3.09Å; L202-I231 HydrophobicContact CB-CG2 4.18Å; L202-I231 HydrophobicContact CD1-CG2 4.12Å; L202-T234 WeakPolarHBondContact O-CG2 3.32Å
203N95.1Very high94.2Very high33 Ų3360.8 Ų60.818%0.17633%0.328CS..THydrogen-bonded Turntrans-63.1139.7-175.5-65.4-10.9000111.5N179 N201 I205 S230 V232N179-N203 VanDerWaalsContact CB-O 3.25Å; N179-N203 WeakPolarHBondContact CB-O 3.35Å; N179-N203 PolarHBondContact ND2-N 3.36Å; N179-N203 PolarHBondContact ND2-O 3.42Å; N201-N203 WeakPolarHBondContact OD1-CB 3.41Å; N201-N203 PolarHBondContact OD1-N 3.33Å; N201-N203 PolarHBondContact OD1-ND2 3.12Å; N201-N203 PolarHBondContact OD1-OD1 2.9Å; N203-I205 PolarHBondContact O-N 2.81Å; N203-S230 VanDerWaalsContact CG-OG 3.22Å; N203-S230 PolarHBondContact ND2-OG 3.47Å; N203-S230 VanDerWaalsContact ND2-OG 3.08Å; N203-S230 VanDerWaalsContact OD1-CB 3.32Å; N203-S230 WeakPolarHBondContact OD1-CB 3.29Å; N203-S230 PolarHBondContact OD1-O 3.47Å; N203-S230 PolarHBondContact OD1-OG 2.96Å; N203-V232 CarbonylContact C-O 3.58Å; N203-V232 WeakPolarHBondContact CA-O 3.43Å; N203-V232 HydrophobicContact CB-CB 4.19Å; N203-V232 WeakPolarHBondContact OD1-CB 3.35Å; N203-V232 WeakPolarHBondContact OD1-CG2 3.46Å; N203-V232 PolarHBondContact OD1-N 3.31Å
204N92.3Very high94.2Very high102 Ų10262.1 Ų62.155%0.54533%0.331SS..THydrogen-bonded Turntrans58.312.5175.1-55.5-44.6000115.2K206 V232N204-K206 PolarHBondContact O-N 3Å; N204-V232 PolarHBondContact N-O 3.27Å
205I91.6Very high94.3Very high24 Ų2461.3 Ų61.312%0.12333%0.33CS..  trans-76.5112.3172.1-58.3178.4000108N179 V183 L202 N203 I208N179-I205 HydrophobicContact CB-CD1 4.47Å; N179-I205 HydrophobicContact CB-CG1 3.89Å; V183-I205 HydrophobicContact CG2-CD1 4.04Å; V183-I205 HydrophobicContact CG2-CG2 4.04Å; L202-I205 HydrophobicContact CB-CD1 4.19Å; L202-I205 HydrophobicContact CD2-CD1 4.03Å; N203-I205 PolarHBondContact O-N 2.81Å; I205-I208 HydrophobicContact CB-CD1 3.88Å; I205-I208 HydrophobicContact CB-CG1 4.16Å; I205-I208 HydrophobicContact CG2-CD1 3.87Å; I205-I208 HydrophobicContact CG2-CG1 3.7Å
206K83Confident94.4Very high175 Ų17556.8 Ų56.876%0.76130%0.301SS*.THydrogen-bonded Turntrans-76.8145.2-179.6-62.7176.7-175.8171.90109.9N204N204-K206 PolarHBondContact O-N 3Å
207N86.7Confident94.4Very high130 Ų13050 Ų5070%0.69526%0.264SS*.THydrogen-bonded Turntrans68.828.7170.8-49.6-40.6000116.5P209N207-P209 VanDerWaalsContact O-CD 3.26Å; N207-P209 WeakPolarHBondContact O-CD 3.24Å
208I93.2Very high94.5Very high14 Ų1454.6 Ų54.67%0.07229%0.285CS..  trans-66.6123.7167.9-54-179.3000109.1V183 L202 I205 I210 I212 L213 T234V183-I208 HydrophobicContact CG1-CD1 4.42Å; V183-I208 HydrophobicContact CG1-CG2 4.13Å; V183-I208 HydrophobicContact CG2-CD1 4.09Å; V183-I208 HydrophobicContact CG2-CG1 4.22Å; L202-I208 HydrophobicContact CB-CD1 4.09Å; L202-I208 HydrophobicContact CD1-CD1 4.33Å; I205-I208 HydrophobicContact CB-CD1 3.88Å; I205-I208 HydrophobicContact CB-CG1 4.16Å; I205-I208 HydrophobicContact CG2-CD1 3.87Å; I205-I208 HydrophobicContact CG2-CG1 3.7Å; I208-I210 PolarHBondContact O-N 2.88Å; I208-I212 HydrophobicContact CG2-CB 4.18Å; I208-I212 HydrophobicContact CG2-CG2 4.02Å; I208-L213 HydrophobicContact CB-CD1 4.47Å; I208-L213 HydrophobicContact CB-CG 4.38Å; I208-L213 HydrophobicContact CD1-CD2 4.34Å; I208-L213 HydrophobicContact CG2-CD1 4.29Å; I208-L213 HydrophobicContact CG2-CD2 3.91Å; I208-L213 HydrophobicContact CG2-CG 3.7Å; I208-T234 HydrophobicContact CD1-CG2 4.07Å
209P94.5Very high94.5Very high66 Ų6652.8 Ų52.843%0.42928%0.276SS..  trans-60.3134.5173.5-22.633.1000111.8N207 P211 I212 L213N207-P209 VanDerWaalsContact O-CD 3.26Å; N207-P209 WeakPolarHBondContact O-CD 3.24Å; P209-P211 VanDerWaalsContact C-N 3.29Å; P209-I212 HydrophobicContact CB-CB 4.48Å; P209-I212 HydrophobicContact CB-CD1 4.33Å; P209-I212 HydrophobicContact CB-CG1 4.2Å; P209-I212 HydrophobicContact CG-CD1 3.89Å; P209-I212 HydrophobicContact CG-CG1 4.31Å; P209-I212 WeakPolarHBondContact O-CB 3.36Å; P209-I212 PolarHBondContact O-N 3.28Å; P209-L213 PolarHBondContact O-N 2.84Å
210I94.4Very high94.5Very high46 Ų4648.5 Ų48.524%0.23626%0.256CS..Hα-helixtrans-51.1-40.4175.2-59.7-58.9000113.1I208 I212 L213 K214 P239 V240I208-I210 PolarHBondContact O-N 2.88Å; I210-I212 VanDerWaalsContact C-N 3.26Å; I210-I212 PolarHBondContact O-N 3.23Å; I210-L213 HydrophobicContact CD1-CD1 4.33Å; I210-L213 PolarHBondContact O-N 2.97Å; I210-K214 WeakPolarHBondContact O-CG 3.21Å; I210-K214 PolarHBondContact O-N 3.06Å; I210-P239 HydrophobicContact CG2-CB 4.48Å; I210-V240 HydrophobicContact CD1-CG2 4.04Å; I210-V240 HydrophobicContact CG2-CG2 3.84Å
211P96.2Very high94.5Very high94 Ų9450.7 Ų50.761%0.6127%0.266SS*.Hα-helixtrans-60.5-32.5175.5-25.135.8000113.9P209 K214 A215P209-P211 VanDerWaalsContact C-N 3.29Å; P211-K214 PolarHBondContact O-N 2.91Å; P211-A215 WeakPolarHBondContact O-CB 3.45Å; P211-A215 PolarHBondContact O-N 3.31Å
212I95.9Very high94.3Very high35 Ų3557 Ų5718%0.17929%0.291CS..Hα-helixtrans-69.7-44.2177.3-68.8-174.8000110V183 L187 I208 P209 I210 K214 A215 Y216V183-I212 HydrophobicContact CG1-CG2 3.67Å; L187-I212 HydrophobicContact CD2-CG2 4.34Å; I208-I212 HydrophobicContact CG2-CB 4.18Å; I208-I212 HydrophobicContact CG2-CG2 4.02Å; P209-I212 HydrophobicContact CB-CB 4.48Å; P209-I212 HydrophobicContact CB-CD1 4.33Å; P209-I212 HydrophobicContact CB-CG1 4.2Å; P209-I212 HydrophobicContact CG-CD1 3.89Å; P209-I212 HydrophobicContact CG-CG1 4.31Å; P209-I212 WeakPolarHBondContact O-CB 3.36Å; P209-I212 PolarHBondContact O-N 3.28Å; I210-I212 VanDerWaalsContact C-N 3.26Å; I210-I212 PolarHBondContact O-N 3.23Å; I212-K214 VanDerWaalsContact C-N 3.3Å; I212-K214 PolarHBondContact O-N 2.87Å; I212-A215 CarbonylContact O-C 3.59Å; I212-A215 WeakPolarHBondContact O-CA 3.26Å; I212-A215 WeakPolarHBondContact O-CB 3.45Å; I212-A215 PolarHBondContact O-N 2.81Å; I212-Y216 HydrophobicContact CG2-CD2 4.08Å; I212-Y216 HydrophobicContact CG2-CE2 3.96Å; I212-Y216 WeakPolarHBondContact O-CD2 3.21Å; I212-Y216 PolarHBondContact O-N 2.98Å
213L95.9Very high94.3Very high2 Ų257.4 Ų57.41%0.0129%0.293CS..Hα-helixtrans-61.8-37.8175.1-67.8170000112.4L202 I208 P209 I210 Y216 A217 I231 S236 V240L202-L213 HydrophobicContact CD1-CD2 4.36Å; I208-L213 HydrophobicContact CB-CD1 4.47Å; I208-L213 HydrophobicContact CB-CG 4.38Å; I208-L213 HydrophobicContact CD1-CD2 4.34Å; I208-L213 HydrophobicContact CG2-CD1 4.29Å; I208-L213 HydrophobicContact CG2-CD2 3.91Å; I208-L213 HydrophobicContact CG2-CG 3.7Å; P209-L213 PolarHBondContact O-N 2.84Å; I210-L213 HydrophobicContact CD1-CD1 4.33Å; I210-L213 PolarHBondContact O-N 2.97Å; L213-Y216 WeakPolarHBondContact O-CB 3.32Å; L213-Y216 PolarHBondContact O-N 3.06Å; L213-A217 PolarHBondContact O-N 3.03Å; L213-I231 HydrophobicContact CD2-CG2 4.1Å; L213-S236 WeakPolarHBondContact CD1-OG 3.29Å; L213-V240 HydrophobicContact CB-CG1 4.01Å; L213-V240 HydrophobicContact CB-CG2 3.94Å; L213-V240 HydrophobicContact CD1-CG2 4.21Å
214K96.8Very high94.4Very high84 Ų8459.9 Ų59.937%0.36531%0.31SS..Hα-helixtrans-63.4-42170.9-71.5-17665.1-177.60111.9I210 P211 I212 Y216 A217 E218 A243I210-K214 WeakPolarHBondContact O-CG 3.21Å; I210-K214 PolarHBondContact O-N 3.06Å; P211-K214 PolarHBondContact O-N 2.91Å; I212-K214 VanDerWaalsContact C-N 3.3Å; I212-K214 PolarHBondContact O-N 2.87Å; K214-Y216 PolarHBondContact O-N 3.31Å; K214-A217 WeakPolarHBondContact O-CB 3.31Å; K214-A217 PolarHBondContact O-N 3.41Å; K214-A217 VanDerWaalsContact O-N 3.09Å; K214-E218 PolarHBondContact O-N 3.48Å; K214-A243 HydrophobicContact CG-CB 4.22Å
215A96.8Very high94.6Very high20 Ų2056.4 Ų56.417%0.16529%0.292CS..Hα-helixtrans-63.1-31.3176.200000112.5L187 P211 I212 A219L187-A215 HydrophobicContact CD1-CB 4.39Å; L187-A215 HydrophobicContact CD2-CB 4.02Å; P211-A215 WeakPolarHBondContact O-CB 3.45Å; P211-A215 PolarHBondContact O-N 3.31Å; I212-A215 CarbonylContact O-C 3.59Å; I212-A215 WeakPolarHBondContact O-CA 3.26Å; I212-A215 WeakPolarHBondContact O-CB 3.45Å; I212-A215 PolarHBondContact O-N 2.81Å; A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.25Å; A215-A219 PolarHBondContact O-N 3.42Å
216Y97Very high94.9Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-62.2-48.6169.2-90.8-83.6000111.6V183 T186 L187 V190 V200 L202 I212 L213 K214 E218 A219 L220 F229V183-Y216 HydrophobicContact CG1-CE2 3.84Å; V183-Y216 PolarHBondContact O-OH 2.67Å; T186-Y216 WeakPolarHBondContact CB-OH 3.47Å; T186-Y216 HydrophobicContact CG2-CE1 4.33Å; L187-Y216 HydrophobicContact CB-CD2 4.46Å; L187-Y216 HydrophobicContact CB-CE1 4.22Å; L187-Y216 HydrophobicContact CB-CE2 3.78Å; L187-Y216 HydrophobicContact CD1-CD1 4.06Å; L187-Y216 HydrophobicContact CD1-CD2 3.91Å; L187-Y216 HydrophobicContact CD1-CE1 4.26Å; L187-Y216 HydrophobicContact CD1-CE2 4.1Å; L187-Y216 HydrophobicContact CD1-CG 3.88Å; L187-Y216 HydrophobicContact CG-CE2 4.34Å; L187-Y216 PolarHBondContact N-OH 3.06Å; V190-Y216 HydrophobicContact CG2-CD1 4.46Å; V190-Y216 HydrophobicContact CG2-CE1 4.17Å; V200-Y216 HydrophobicContact CG1-CD1 4.39Å; V200-Y216 HydrophobicContact CG1-CE1 3.9Å; L202-Y216 HydrophobicContact CD1-CD1 4.49Å; L202-Y216 HydrophobicContact CD1-CD2 4.13Å; L202-Y216 HydrophobicContact CD1-CE1 4.17Å; L202-Y216 HydrophobicContact CD1-CE2 3.81Å; L202-Y216 HydrophobicContact CD1-CG 4.47Å; I212-Y216 HydrophobicContact CG2-CD2 4.08Å; I212-Y216 HydrophobicContact CG2-CE2 3.96Å; I212-Y216 WeakPolarHBondContact O-CD2 3.21Å; I212-Y216 PolarHBondContact O-N 2.98Å; L213-Y216 WeakPolarHBondContact O-CB 3.32Å; L213-Y216 PolarHBondContact O-N 3.06Å; K214-Y216 PolarHBondContact O-N 3.31Å; Y216-E218 VanDerWaalsContact C-N 3.35Å; Y216-E218 PolarHBondContact O-N 3.32Å; Y216-A219 PolarHBondContact O-N 3.29Å; Y216-L220 WeakPolarHBondContact O-CB 3.12Å; Y216-L220 VanDerWaalsContact O-CG 3.24Å; Y216-L220 WeakPolarHBondContact O-CG 3.35Å; Y216-L220 PolarHBondContact O-N 3.4Å; Y216-F229 HydrophobicContact CD1-CE2 4.03Å; Y216-F229 HydrophobicContact CD1-CZ 4.46Å; Y216-F229 HydrophobicContact CG-CE2 4.39Å; Y216-F229 HydrophobicContact CG-CZ 4.4Å
217A96.6Very high95.6Very high0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-59.6-44.9177.400000111.9L213 K214 L220 M221 A243 L244 M247L213-A217 PolarHBondContact O-N 3.03Å; K214-A217 WeakPolarHBondContact O-CB 3.31Å; K214-A217 PolarHBondContact O-N 3.41Å; K214-A217 VanDerWaalsContact O-N 3.09Å; A217-L220 PolarHBondContact O-N 3.06Å; A217-M221 PolarHBondContact O-N 3.34Å; A217-A243 HydrophobicContact CB-CB 3.78Å; A217-L244 HydrophobicContact CB-CD2 3.83Å; A217-L244 HydrophobicContact CB-CG 4.27Å; A217-M247 HydrophobicContact CB-CB 4.37Å; A217-M247 WeakPolarHBondContact O-CB 3.35Å; A217-M247 WeakPolarHBondContact O-CG 3.47Å
218E96.4Very high96.1Very high119 Ų11948.2 Ų48.256%0.55625%0.248SC*.Hα-helixtrans-63.4-40.5176.1-70.5174.1-166.900112.5K214 Y216 M221K214-E218 PolarHBondContact O-N 3.48Å; Y216-E218 VanDerWaalsContact C-N 3.35Å; Y216-E218 PolarHBondContact O-N 3.32Å; E218-M221 WeakPolarHBondContact O-CB 3.28Å; E218-M221 PolarHBondContact O-N 2.9Å
219A96.7Very high96.4Very high16 Ų1647.8 Ų47.813%0.13225%0.245CC..Hα-helixtrans-67.8-38.7177.700000111.8L187 V190 K191 A215 Y216 M221 N223L187-A219 HydrophobicContact CD1-CB 4.19Å; V190-A219 HydrophobicContact CG1-CB 3.81Å; K191-A219 HydrophobicContact CG-CB 3.66Å; A215-A219 VanDerWaalsContact O-CB 3.23Å; A215-A219 WeakPolarHBondContact O-CB 3.25Å; A215-A219 PolarHBondContact O-N 3.42Å; Y216-A219 PolarHBondContact O-N 3.29Å; A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.99Å; A219-N223 PolarHBondContact O-N 3.4Å
220L96.9Very high96.5Very high1 Ų145.3 Ų45.31%0.00523%0.23CC..Hα-helixtrans-68.6-22.1178.8-72.9170.1000112.9V190 Y216 A217 K222 N223 V226 F229 M247 N251V190-L220 HydrophobicContact CG1-CD2 3.71Å; V190-L220 HydrophobicContact CG1-CG 4.02Å; Y216-L220 WeakPolarHBondContact O-CB 3.12Å; Y216-L220 VanDerWaalsContact O-CG 3.24Å; Y216-L220 WeakPolarHBondContact O-CG 3.35Å; Y216-L220 PolarHBondContact O-N 3.4Å; A217-L220 PolarHBondContact O-N 3.06Å; L220-K222 PolarHBondContact O-N 2.87Å; L220-K222 VanDerWaalsContact O-N 3.12Å; L220-N223 HydrophobicContact CD2-CB 4.22Å; L220-N223 PolarHBondContact O-N 3.43Å; L220-V226 HydrophobicContact CD2-CB 3.78Å; L220-V226 HydrophobicContact CD2-CG1 3.86Å; L220-V226 HydrophobicContact CD2-CG2 3.95Å; L220-F229 HydrophobicContact CD1-CB 4.34Å; L220-F229 HydrophobicContact CD1-CD1 3.87Å; L220-F229 HydrophobicContact CD1-CD2 4.02Å; L220-F229 HydrophobicContact CD1-CE1 4.15Å; L220-F229 HydrophobicContact CD1-CE2 4.26Å; L220-F229 HydrophobicContact CD1-CG 3.81Å; L220-F229 HydrophobicContact CD1-CZ 4.31Å; L220-M247 HydrophobicContact CB-CG 3.83Å; L220-M247 HydrophobicContact CB-SD 4.16Å; L220-N251 PolarHBondContact O-ND2 3.22Å
221M95.7Very high96.6Very high48 Ų4843.1 Ų43.124%0.23622%0.219CC..THydrogen-bonded Turntrans-52.4-37176.9-76.5176.6-179.700113.7A217 E218 A219 E246 M247A217-M221 PolarHBondContact O-N 3.34Å; E218-M221 WeakPolarHBondContact O-CB 3.28Å; E218-M221 PolarHBondContact O-N 2.9Å; A219-M221 VanDerWaalsContact C-N 3.27Å; A219-M221 PolarHBondContact O-N 2.99Å; M221-E246 HydrophobicContact CE-CB 3.75Å; M221-M247 HydrophobicContact CE-CB 4.32Å; M221-M247 HydrophobicContact CG-CB 3.94Å; M221-M247 HydrophobicContact CG-CG 4.03Å
222K93.3Very high96.6Very high189 Ų18939.5 Ų39.582%0.82220%0.195SC*.THydrogen-bonded Turntrans-111.9-0.4-177.6-62.5-178.3-178177.10113.5L220L220-K222 PolarHBondContact O-N 2.87Å; L220-K222 VanDerWaalsContact O-N 3.12Å
223N96.1Very high96.5Very high7 Ų739 Ų394%0.03720%0.198CC..  trans-71.3142178.3-171.9-76.9000109.4V190 N193 A219 L220 V225 V226 N251 T253V190-N223 HydrophobicContact CG1-CB 4.43Å; V190-N223 PolarHBondContact O-ND2 3.16Å; N193-N223 VanDerWaalsContact OD1-CG 3.31Å; N193-N223 PolarHBondContact OD1-ND2 2.85Å; N193-N223 PolarHBondContact OD1-OD1 2.93Å; A219-N223 PolarHBondContact O-N 3.4Å; L220-N223 HydrophobicContact CD2-CB 4.22Å; L220-N223 PolarHBondContact O-N 3.43Å; N223-V225 PolarHBondContact OD1-N 2.91Å; N223-V226 WeakPolarHBondContact OD1-CG2 3.43Å; N223-V226 PolarHBondContact OD1-N 2.63Å; N223-N251 PolarHBondContact O-ND2 2.86Å; N223-T253 PolarHBondContact O-OG1 3.34Å
224T96.1Very high96.4Very high86 Ų8639 Ų3953%0.52820%0.198SC..SBendtrans-121.99.5-177.666.90000113.3N193 T253N193-T224 PolarHBondContact ND2-OG1 2.93Å; N193-T224 PolarHBondContact OD1-N 3.22Å; T224-T253 WeakPolarHBondContact O-CG2 3.43Å
225V97Very high96.2Very high28 Ų2843.1 Ų43.117%0.1721%0.212CC..SBendtrans-118.2-42.1-173.3-177.80000111.4N193 D194 P195 V198 N223 E227N193-V225 WeakPolarHBondContact OD1-CG2 3.38Å; D194-V225 WeakPolarHBondContact O-CG1 3.38Å; P195-V225 WeakPolarHBondContact O-CG1 3.35Å; V198-V225 HydrophobicContact CG2-CG1 4.48Å; N223-V225 PolarHBondContact OD1-N 2.91Å; V225-E227 PolarHBondContact O-N 2.67Å
226V97.8Very high96.2Very high1 Ų142.2 Ų42.21%0.00620%0.204CC..  trans-67.9116.1-175.2178.60000109.8V190 L197 V200 L220 N223 L254V190-V226 HydrophobicContact CG2-CG2 4.33Å; L197-V226 HydrophobicContact CG-CG2 4.48Å; L197-V226 VanDerWaalsContact O-CG2 3.3Å; L197-V226 WeakPolarHBondContact O-CG2 3.34Å; V200-V226 HydrophobicContact CB-CG1 4.44Å; V200-V226 HydrophobicContact CG2-CG1 3.99Å; V200-V226 HydrophobicContact CG2-CG2 3.98Å; L220-V226 HydrophobicContact CD2-CB 3.78Å; L220-V226 HydrophobicContact CD2-CG1 3.86Å; L220-V226 HydrophobicContact CD2-CG2 3.95Å; N223-V226 WeakPolarHBondContact OD1-CG2 3.43Å; N223-V226 PolarHBondContact OD1-N 2.63Å; V226-L254 HydrophobicContact CG1-CD1 4.12Å
227E97.5Very high96.1Very high62 Ų6244.7 Ų44.729%0.2922%0.217SC..  trans-99.8-24.7178-61.7-166163.800112.5V198 V225 K255 S256V198-E227 HydrophobicContact CG1-CB 4.09Å; V198-E227 HydrophobicContact CG1-CG 4.03Å; V198-E227 PolarHBondContact O-N 3.32Å; V225-E227 PolarHBondContact O-N 2.67Å; E227-K255 HydrophobicContact CB-CD 4.32Å; E227-K255 HydrophobicContact CB-CG 4.43Å; E227-K255 HydrophobicContact CG-CD 4.4Å; E227-K255 WeakPolarHBondContact O-CA 3.47Å; E227-K255 PolarHBondContact O-N 3.45Å; E227-K255 WeakPolarHBondContact OE1-CE 3.36Å; E227-K255 IonicContact OE1-NZ 3.96Å; E227-K255 PolarHBondContact OE1-NZ 3.04Å; E227-K255 WeakPolarHBondContact OE2-CD 3.47Å; E227-K255 IonicContact OE2-NZ 3.04Å; E227-K255 PolarHBondContact OE2-NZ 3.09Å; E227-S256 PolarHBondContact O-N 3.32Å
228R97.9Very high96.1Very high95 Ų9546.2 Ų46.236%0.35823%0.225SC..EExtended strand (participates in β ladder)trans-130.5124-176.4-62.4-172.1-70.1-75.90.7110.8V198 E199 V200 S256V198-R228 PolarHBondContact O-N 3.47Å; E199-R228 HydrophobicContact CB-CB 4.23Å; E199-R228 HydrophobicContact CG-CB 3.96Å; E199-R228 IonicContact OE2-CZ 2.55Å; E199-R228 IonicContact OE2-NE 2.68Å; E199-R228 PolarHBondContact OE2-NE 3.36Å; E199-R228 IonicContact OE2-NH2 3.93Å; E199-R228 PolarHBondContact OE2-NH2 2.94Å; V200-R228 PolarHBondContact N-O 3.22Å; R228-S256 WeakPolarHBondContact CA-O 3.34Å
229F98Very high96.1Very high4 Ų443.4 Ų43.42%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-128.1124.4176.8-178-123.4000110.5V200 L202 Y216 L220 I231 L244 L254 S256 L257 N258V200-F229 HydrophobicContact CB-CD2 3.86Å; V200-F229 HydrophobicContact CB-CE2 4.47Å; V200-F229 HydrophobicContact CG1-CD2 3.64Å; V200-F229 HydrophobicContact CG1-CE2 3.75Å; V200-F229 WeakPolarHBondContact O-CA 3.38Å; L202-F229 HydrophobicContact CD1-CE2 4.17Å; Y216-F229 HydrophobicContact CD1-CE2 4.03Å; Y216-F229 HydrophobicContact CD1-CZ 4.46Å; Y216-F229 HydrophobicContact CG-CE2 4.39Å; Y216-F229 HydrophobicContact CG-CZ 4.4Å; L220-F229 HydrophobicContact CD1-CB 4.34Å; L220-F229 HydrophobicContact CD1-CD1 3.87Å; L220-F229 HydrophobicContact CD1-CD2 4.02Å; L220-F229 HydrophobicContact CD1-CE1 4.15Å; L220-F229 HydrophobicContact CD1-CE2 4.26Å; L220-F229 HydrophobicContact CD1-CG 3.81Å; L220-F229 HydrophobicContact CD1-CZ 4.31Å; F229-I231 HydrophobicContact CE1-CD1 4.31Å; F229-I231 HydrophobicContact CE1-CG2 3.76Å; F229-I231 HydrophobicContact CE2-CG2 3.75Å; F229-I231 HydrophobicContact CZ-CG2 3.29Å; F229-L244 HydrophobicContact CD1-CD2 4.16Å; F229-L244 HydrophobicContact CE1-CD2 3.74Å; F229-L254 HydrophobicContact CB-CD1 3.76Å; F229-L254 HydrophobicContact CB-CD2 4.37Å; F229-S256 PolarHBondContact N-O 2.92Å; F229-L257 HydrophobicContact CB-CD1 4.42Å; F229-L257 HydrophobicContact CD1-CD1 3.65Å; F229-L257 HydrophobicContact CE1-CD1 4.46Å; F229-L257 HydrophobicContact CG-CD1 4.48Å; F229-L257 WeakPolarHBondContact O-CA 3.23Å; F229-N258 PolarHBondContact O-N 2.81Å
230S97.7Very high96.1Very high15 Ų1542.7 Ų42.711%0.10521%0.211CC..EExtended strand (participates in β ladder)trans-134.4126.7-174.6-167.80000111.1V200 L202 N203V200-S230 PolarHBondContact O-N 2.58Å; L202-S230 PolarHBondContact N-O 3.09Å; N203-S230 VanDerWaalsContact CG-OG 3.22Å; N203-S230 PolarHBondContact ND2-OG 3.47Å; N203-S230 VanDerWaalsContact ND2-OG 3.08Å; N203-S230 VanDerWaalsContact OD1-CB 3.32Å; N203-S230 WeakPolarHBondContact OD1-CB 3.29Å; N203-S230 PolarHBondContact OD1-O 3.47Å; N203-S230 PolarHBondContact OD1-OG 2.96Å
231I96.5Very high96.1Very high0 Ų042.6 Ų42.60%021%0.211CC..  trans-131.640.2-17956.6172.6000111.9L202 L213 F229 T234 V240 L244 N258 V259 N262L202-I231 HydrophobicContact CB-CG2 4.18Å; L202-I231 HydrophobicContact CD1-CG2 4.12Å; L213-I231 HydrophobicContact CD2-CG2 4.1Å; F229-I231 HydrophobicContact CE1-CD1 4.31Å; F229-I231 HydrophobicContact CE1-CG2 3.76Å; F229-I231 HydrophobicContact CE2-CG2 3.75Å; F229-I231 HydrophobicContact CZ-CG2 3.29Å; I231-T234 HydrophobicContact CB-CG2 4.15Å; I231-T234 WeakPolarHBondContact O-CG2 3.24Å; I231-T234 PolarHBondContact O-OG1 3.34Å; I231-V240 HydrophobicContact CD1-CG1 4.1Å; I231-L244 HydrophobicContact CD1-CD1 3.89Å; I231-N258 PolarHBondContact N-O 3.31Å; I231-V259 HydrophobicContact CD1-CG1 3.87Å; I231-V259 HydrophobicContact CG1-CB 4.38Å; I231-V259 HydrophobicContact CG1-CG1 3.81Å; I231-N262 PolarHBondContact O-ND2 2.92Å
232V96.2Very high96.2Very high17 Ų1744.5 Ų44.510%0.10322%0.218CC..THydrogen-bonded Turntrans-66133.4-176.2-178.40000110.8N203 N204 T234 N258 E260N203-V232 CarbonylContact C-O 3.58Å; N203-V232 WeakPolarHBondContact CA-O 3.43Å; N203-V232 HydrophobicContact CB-CB 4.19Å; N203-V232 WeakPolarHBondContact OD1-CB 3.35Å; N203-V232 WeakPolarHBondContact OD1-CG2 3.46Å; N203-V232 PolarHBondContact OD1-N 3.31Å; N204-V232 PolarHBondContact N-O 3.27Å; V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 3.07Å; V232-N258 HydrophobicContact CG2-CB 4.18Å; V232-N258 WeakPolarHBondContact CG2-ND2 3.19Å; V232-N258 WeakPolarHBondContact CG2-OD1 2.92Å; V232-E260 WeakPolarHBondContact CA-O 3.25Å; V232-E260 HydrophobicContact CG1-CB 4.19Å; V232-E260 HydrophobicContact CG2-CB 4.18Å
233G93.3Very high96.5Very high24 Ų2435.9 Ų35.925%0.24718%0.182CC..THydrogen-bonded Turntrans6921.9173.500000114.9E260 S261G233-E260 PolarHBondContact N-O 3.31Å; G233-S261 VanDerWaalsContact CA-O 3.28Å; G233-S261 WeakPolarHBondContact CA-O 3.47Å; G233-S261 PolarHBondContact N-O 3.17Å
234T94.1Very high96.5Very high3 Ų335.5 Ų35.52%0.01818%0.18CC..SBendtrans-93.43-175.956.50000114.1L202 I208 I231 V232 S236 N262L202-T234 WeakPolarHBondContact O-CG2 3.32Å; I208-T234 HydrophobicContact CD1-CG2 4.07Å; I231-T234 HydrophobicContact CB-CG2 4.15Å; I231-T234 WeakPolarHBondContact O-CG2 3.24Å; I231-T234 PolarHBondContact O-OG1 3.34Å; V232-T234 VanDerWaalsContact C-N 3.28Å; V232-T234 PolarHBondContact O-N 3.07Å; T234-S236 VanDerWaalsContact C-N 3.29Å; T234-S236 PolarHBondContact O-N 3.24Å; T234-S236 PolarHBondContact OG1-OG 3.03Å; T234-N262 PolarHBondContact N-OD1 2.93Å; T234-N262 VanDerWaalsContact N-OD1 3.16Å; T234-N262 PolarHBondContact OG1-OD1 3.34Å
235R93.4Very high96.6Very high171 Ų17131.5 Ų31.565%0.64516%0.155SC*.  trans62.132.3-172.3-52.9-175.7169.3175.3-4.6113.7N262 F263R235-N262 PolarHBondContact N-OD1 2.8Å; R235-N262 VanDerWaalsContact N-OD1 3.12Å; R235-F263 HydrophobicContact CB-CD2 4.14Å; R235-F263 HydrophobicContact CB-CE2 4.11Å; R235-F263 HydrophobicContact CG-CD2 4.47Å; R235-F263 HydrophobicContact CG-CE2 3.94Å
236S95.1Very high96.5Very high0 Ų035.8 Ų35.80%017%0.174CC..  trans-63.3147.5174.5-67.10000111.8L213 T234 N262 F263L213-S236 WeakPolarHBondContact CD1-OG 3.29Å; T234-S236 VanDerWaalsContact C-N 3.29Å; T234-S236 PolarHBondContact O-N 3.24Å; T234-S236 PolarHBondContact OG1-OG 3.03Å; S236-N262 PolarHBondContact N-OD1 2.8Å; S236-F263 CarbonylContact O-C 3.43Å; S236-F263 WeakPolarHBondContact O-CA 3.46Å; S236-F263 PolarHBondContact O-N 3.1Å
237N95.3Very high96.5Very high52 Ų5235.8 Ų35.828%0.27817%0.173SC..BIsolated β-bridgetrans-130.2-179.3-177.660.410.4000111.9P239 V240 A241N237-P239 VanDerWaalsContact OD1-CD 3.29Å; N237-P239 WeakPolarHBondContact OD1-CD 3.32Å; N237-V240 WeakPolarHBondContact O-CB 3.41Å; N237-V240 PolarHBondContact O-N 2.71Å; N237-A241 PolarHBondContact O-N 2.9Å; N237-A241 VanDerWaalsContact O-N 3.16Å
238D96.7Very high96.4Very high32 Ų3232.8 Ų32.817%0.17116%0.159CC..Hα-helixtrans-51.7-42.2-177.1-68.9-9.4000115V240 A241 F242 T265D238-V240 PolarHBondContact O-N 3.01Å; D238-A241 CarbonylContact O-C 3.58Å; D238-A241 WeakPolarHBondContact O-CA 3.42Å; D238-A241 WeakPolarHBondContact O-CB 3.4Å; D238-A241 PolarHBondContact O-N 2.99Å; D238-F242 HydrophobicContact CB-CD2 4.47Å; D238-F242 HydrophobicContact CB-CE2 3.86Å; D238-F242 HydrophobicContact CB-CZ 4.05Å; D238-F242 VanDerWaalsContact O-CD2 3.22Å; D238-F242 WeakPolarHBondContact O-CD2 3.46Å; D238-F242 VanDerWaalsContact O-CG 3.29Å; D238-F242 WeakPolarHBondContact O-CG 3.39Å; D238-F242 PolarHBondContact O-N 2.96Å; D238-T265 VanDerWaalsContact CG-OG1 3.24Å; D238-T265 PolarHBondContact OD1-N 3.36Å; D238-T265 PolarHBondContact OD1-OG1 3.09Å; D238-T265 WeakPolarHBondContact OD2-CB 3.34Å; D238-T265 WeakPolarHBondContact OD2-CG2 3.47Å; D238-T265 PolarHBondContact OD2-OG1 3.01Å
239P96.9Very high96.3Very high60 Ų6034 Ų3439%0.3917%0.167SC..Hα-helixtrans-52.7-37.3172-30.433.1000115.2I210 N237 A243I210-P239 HydrophobicContact CG2-CB 4.48Å; N237-P239 VanDerWaalsContact OD1-CD 3.29Å; N237-P239 WeakPolarHBondContact OD1-CD 3.32Å; P239-A243 PolarHBondContact O-N 3.13Å
240V97.1Very high96.2Very high1 Ų138.3 Ų38.31%0.00619%0.194CC..Hα-helixtrans-71.6-43.4175.3-178.50000109.8I210 L213 I231 N237 D238 F242 A243 L244I210-V240 HydrophobicContact CD1-CG2 4.04Å; I210-V240 HydrophobicContact CG2-CG2 3.84Å; L213-V240 HydrophobicContact CB-CG1 4.01Å; L213-V240 HydrophobicContact CB-CG2 3.94Å; L213-V240 HydrophobicContact CD1-CG2 4.21Å; I231-V240 HydrophobicContact CD1-CG1 4.1Å; N237-V240 WeakPolarHBondContact O-CB 3.41Å; N237-V240 PolarHBondContact O-N 2.71Å; D238-V240 PolarHBondContact O-N 3.01Å; V240-F242 VanDerWaalsContact C-N 3.34Å; V240-F242 PolarHBondContact O-N 3.44Å; V240-A243 PolarHBondContact O-N 2.89Å; V240-L244 HydrophobicContact CG1-CD1 4.05Å; V240-L244 HydrophobicContact CG1-CG 4.4Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.49Å
241A97.2Very high96.1Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-60.3-41.2177.400000112.5N237 D238 L244 A245 I264 L272N237-A241 PolarHBondContact O-N 2.9Å; N237-A241 VanDerWaalsContact O-N 3.16Å; D238-A241 CarbonylContact O-C 3.58Å; D238-A241 WeakPolarHBondContact O-CA 3.42Å; D238-A241 WeakPolarHBondContact O-CB 3.4Å; D238-A241 PolarHBondContact O-N 2.99Å; A241-L244 PolarHBondContact O-N 3.5Å; A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 3.2Å; A241-I264 HydrophobicContact CB-CD1 4.25Å; A241-I264 HydrophobicContact CB-CG1 4.41Å; A241-I264 HydrophobicContact CB-CG2 3.6Å; A241-L272 HydrophobicContact CB-CD1 3.97Å; A241-L272 HydrophobicContact CB-CG 4.28Å
242F97.9Very high96Very high88 Ų8842 Ų4239%0.38622%0.219SC..Hα-helixtrans-64.3-43.6175.2-61.1-38000112.2D238 V240 L244 A245 E246D238-F242 HydrophobicContact CB-CD2 4.47Å; D238-F242 HydrophobicContact CB-CE2 3.86Å; D238-F242 HydrophobicContact CB-CZ 4.05Å; D238-F242 VanDerWaalsContact O-CD2 3.22Å; D238-F242 WeakPolarHBondContact O-CD2 3.46Å; D238-F242 VanDerWaalsContact O-CG 3.29Å; D238-F242 WeakPolarHBondContact O-CG 3.39Å; D238-F242 PolarHBondContact O-N 2.96Å; V240-F242 VanDerWaalsContact C-N 3.34Å; V240-F242 PolarHBondContact O-N 3.44Å; F242-L244 VanDerWaalsContact C-N 3.31Å; F242-L244 PolarHBondContact O-N 3.11Å; F242-A245 WeakPolarHBondContact O-CB 3.4Å; F242-A245 PolarHBondContact O-N 3.42Å; F242-E246 PolarHBondContact O-N 3.39Å
243A97.8Very high95.9Very high7 Ų742.9 Ų42.96%0.05822%0.224CC..Hα-helixtrans-62.7-39.7176.100000111.7K214 A217 P239 V240 E246 M247K214-A243 HydrophobicContact CG-CB 4.22Å; A217-A243 HydrophobicContact CB-CB 3.78Å; P239-A243 PolarHBondContact O-N 3.13Å; V240-A243 PolarHBondContact O-N 2.89Å; A243-E246 PolarHBondContact O-N 3.37Å; A243-M247 WeakPolarHBondContact O-CB 3.5Å; A243-M247 PolarHBondContact O-N 3.15Å
244L97.4Very high96.1Very high0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-67-37.3174.3-71.1173000112.4A217 F229 I231 V240 A241 F242 M247 L248 V259 L272A217-L244 HydrophobicContact CB-CD2 3.83Å; A217-L244 HydrophobicContact CB-CG 4.27Å; F229-L244 HydrophobicContact CD1-CD2 4.16Å; F229-L244 HydrophobicContact CE1-CD2 3.74Å; I231-L244 HydrophobicContact CD1-CD1 3.89Å; V240-L244 HydrophobicContact CG1-CD1 4.05Å; V240-L244 HydrophobicContact CG1-CG 4.4Å; V240-L244 WeakPolarHBondContact O-CG 3.42Å; V240-L244 PolarHBondContact O-N 3.49Å; A241-L244 PolarHBondContact O-N 3.5Å; F242-L244 VanDerWaalsContact C-N 3.31Å; F242-L244 PolarHBondContact O-N 3.11Å; L244-M247 HydrophobicContact CD2-CE 3.75Å; L244-M247 WeakPolarHBondContact O-CB 3.45Å; L244-M247 PolarHBondContact O-N 3.38Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3.04Å; L244-V259 HydrophobicContact CD1-CG1 3.92Å; L244-L272 HydrophobicContact CB-CD2 3.66Å
245A96.9Very high96.3Very high1 Ų145.5 Ų45.51%0.00823%0.229CC..Hα-helixtrans-64.8-39.2175.300000112A241 F242 M247 K249 S271 L272 S275A241-A245 WeakPolarHBondContact O-CB 3.29Å; A241-A245 PolarHBondContact O-N 3.2Å; F242-A245 WeakPolarHBondContact O-CB 3.4Å; F242-A245 PolarHBondContact O-N 3.42Å; A245-M247 VanDerWaalsContact C-N 3.35Å; A245-K249 WeakPolarHBondContact O-CG 3.45Å; A245-K249 PolarHBondContact O-N 3.22Å; A245-S271 WeakPolarHBondContact CB-O 3.44Å; A245-S271 WeakPolarHBondContact CB-OG 3.2Å; A245-L272 HydrophobicContact CB-CD2 4.22Å; A245-S275 WeakPolarHBondContact O-CB 3.38Å
246E96.4Very high96.5Very high119 Ų11938.2 Ų38.256%0.55620%0.204SC*.Hα-helixtrans-65.5-39.9171.8-69.8-175.314800111.6M221 F242 A243 K249M221-E246 HydrophobicContact CE-CB 3.75Å; F242-E246 PolarHBondContact O-N 3.39Å; A243-E246 PolarHBondContact O-N 3.37Å; E246-K249 PolarHBondContact O-N 3.19Å
247M96.8Very high96.6Very high0 Ų038.2 Ų38.20%020%0.204CC..Hα-helixtrans-61.6-46.3176.3178-80.2-67.200112.2A217 L220 M221 A243 L244 A245 K249 V250 N251 L254A217-M247 HydrophobicContact CB-CB 4.37Å; A217-M247 WeakPolarHBondContact O-CB 3.35Å; A217-M247 WeakPolarHBondContact O-CG 3.47Å; L220-M247 HydrophobicContact CB-CG 3.83Å; L220-M247 HydrophobicContact CB-SD 4.16Å; M221-M247 HydrophobicContact CE-CB 4.32Å; M221-M247 HydrophobicContact CG-CB 3.94Å; M221-M247 HydrophobicContact CG-CG 4.03Å; A243-M247 WeakPolarHBondContact O-CB 3.5Å; A243-M247 PolarHBondContact O-N 3.15Å; L244-M247 HydrophobicContact CD2-CE 3.75Å; L244-M247 WeakPolarHBondContact O-CB 3.45Å; L244-M247 PolarHBondContact O-N 3.38Å; A245-M247 VanDerWaalsContact C-N 3.35Å; M247-K249 PolarHBondContact O-N 2.96Å; M247-V250 PolarHBondContact O-N 3.22Å; M247-N251 HydrophobicContact CG-CB 4.28Å; M247-N251 WeakPolarHBondContact O-CB 3.44Å; M247-N251 PolarHBondContact O-N 3.25Å; M247-N251 HydrophobicContact SD-CB 3.55Å; M247-N251 VanDerWaalsContact SD-CB 3.55Å; M247-L254 HydrophobicContact CE-CD2 3.85Å; M247-L254 HydrophobicContact SD-CD2 4.44Å
248L96.3Very high96.8Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-63.9-23.6179.6-73.6175.6000113.5L244 V250 L254 L257 L272 S275 L276 N279 L282L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3.04Å; L248-V250 VanDerWaalsContact C-N 3.27Å; L248-V250 PolarHBondContact O-N 3.26Å; L248-L254 HydrophobicContact CD2-CD2 4.16Å; L248-L257 HydrophobicContact CD1-CD2 3.87Å; L248-L257 HydrophobicContact CD2-CD2 4.49Å; L248-L257 HydrophobicContact CG-CD2 4.48Å; L248-L272 HydrophobicContact CD1-CD2 3.99Å; L248-S275 WeakPolarHBondContact CB-OG 3.42Å; L248-S275 WeakPolarHBondContact CD1-OG 3.38Å; L248-L276 HydrophobicContact CD1-CD2 4.18Å; L248-N279 PolarHBondContact O-ND2 2.9Å; L248-L282 HydrophobicContact CD1-CD2 4.38Å; L248-L282 HydrophobicContact CD2-CD1 4.13Å; L248-L282 HydrophobicContact CD2-CD2 4.06Å
249K94.8Very high96.8Very high121 Ų12135 Ų3553%0.52619%0.187SC..Hα-helixtrans-71.1-24.5174-69.7173.9-173.9175.20112.9A245 E246 M247A245-K249 WeakPolarHBondContact O-CG 3.45Å; A245-K249 PolarHBondContact O-N 3.22Å; E246-K249 PolarHBondContact O-N 3.19Å; M247-K249 PolarHBondContact O-N 2.96Å
250V95.6Very high96.8Very high94 Ų9434.5 Ų34.557%0.5718%0.179SC*.Hα-helixtrans-109.4-41.9-172.7-178.50000111.8M247 L248M247-V250 PolarHBondContact O-N 3.22Å; L248-V250 VanDerWaalsContact C-N 3.27Å; L248-V250 PolarHBondContact O-N 3.26Å
251N96Very high96.7Very high6 Ų636.6 Ų36.63%0.03219%0.194CC..  trans-69.5133.7-177.3-179-80.4000110.8L220 N223 M247 T253 L254 N279L220-N251 PolarHBondContact O-ND2 3.22Å; N223-N251 PolarHBondContact O-ND2 2.86Å; M247-N251 HydrophobicContact CG-CB 4.28Å; M247-N251 WeakPolarHBondContact O-CB 3.44Å; M247-N251 PolarHBondContact O-N 3.25Å; M247-N251 HydrophobicContact SD-CB 3.55Å; M247-N251 VanDerWaalsContact SD-CB 3.55Å; N251-T253 PolarHBondContact ND2-OG1 3.34Å; N251-T253 VanDerWaalsContact ND2-OG1 3.15Å; N251-T253 PolarHBondContact OD1-N 3.09Å; N251-T253 PolarHBondContact OD1-OG1 3.19Å; N251-L254 VanDerWaalsContact OD1-CB 3.29Å; N251-L254 WeakPolarHBondContact OD1-CB 3.36Å; N251-L254 PolarHBondContact OD1-N 2.55Å; N251-N279 PolarHBondContact O-ND2 3.28Å; N251-N279 VanDerWaalsContact O-ND2 3.15Å
252S94.1Very high96.7Very high85 Ų8536.7 Ų36.759%0.59420%0.195SC*.SBendtrans-121.921.2-178.257.60000113.4T281S252-T281 WeakPolarHBondContact O-CG2 3.5Å
253T95.9Very high96.6Very high37 Ų3737.7 Ų37.723%0.22720%0.199CC..SBendtrans-126.6-28.6-176.430.90000113.8N223 T224 N251 K255N223-T253 PolarHBondContact O-OG1 3.34Å; T224-T253 WeakPolarHBondContact O-CG2 3.43Å; N251-T253 PolarHBondContact ND2-OG1 3.34Å; N251-T253 VanDerWaalsContact ND2-OG1 3.15Å; N251-T253 PolarHBondContact OD1-N 3.09Å; N251-T253 PolarHBondContact OD1-OG1 3.19Å; T253-K255 PolarHBondContact O-N 2.87Å
254L97Very high96.5Very high1 Ų137.3 Ų37.31%0.00520%0.196CC..  trans-65.5128.1178.2-163.373.5000110.4V226 F229 M247 L248 N251 L257 T281 L282V226-L254 HydrophobicContact CG1-CD1 4.12Å; F229-L254 HydrophobicContact CB-CD1 3.76Å; F229-L254 HydrophobicContact CB-CD2 4.37Å; M247-L254 HydrophobicContact CE-CD2 3.85Å; M247-L254 HydrophobicContact SD-CD2 4.44Å; L248-L254 HydrophobicContact CD2-CD2 4.16Å; N251-L254 VanDerWaalsContact OD1-CB 3.29Å; N251-L254 WeakPolarHBondContact OD1-CB 3.36Å; N251-L254 PolarHBondContact OD1-N 2.55Å; L254-L257 HydrophobicContact CD2-CB 4.21Å; L254-L257 HydrophobicContact CD2-CD1 4.47Å; L254-T281 CarbonylContact O-C 3.59Å; L254-T281 PolarHBondContact O-OG1 3.48Å; L254-L282 HydrophobicContact CB-CD1 4.37Å; L254-L282 HydrophobicContact CD2-CD1 4.04Å; L254-L282 HydrophobicContact CG-CD1 4.04Å; L254-L282 WeakPolarHBondContact O-CA 3.48Å; L254-L282 PolarHBondContact O-N 3.3Å
255K97.1Very high96.5Very high81 Ų8140.1 Ų40.135%0.35221%0.213SC..  trans-107.9-33.6179.9-64.7179-173.1161.30112.6E227 T253 L283 E284E227-K255 HydrophobicContact CB-CD 4.32Å; E227-K255 HydrophobicContact CB-CG 4.43Å; E227-K255 HydrophobicContact CG-CD 4.4Å; E227-K255 WeakPolarHBondContact O-CA 3.47Å; E227-K255 PolarHBondContact O-N 3.45Å; E227-K255 WeakPolarHBondContact OE1-CE 3.36Å; E227-K255 IonicContact OE1-NZ 3.96Å; E227-K255 PolarHBondContact OE1-NZ 3.04Å; E227-K255 WeakPolarHBondContact OE2-CD 3.47Å; E227-K255 IonicContact OE2-NZ 3.04Å; E227-K255 PolarHBondContact OE2-NZ 3.09Å; T253-K255 PolarHBondContact O-N 2.87Å; K255-L283 HydrophobicContact CB-CD1 4.43Å; K255-L283 HydrophobicContact CD-CD1 4.47Å; K255-L283 HydrophobicContact CG-CD1 4.47Å; K255-L283 PolarHBondContact O-N 2.68Å; K255-E284 PolarHBondContact O-N 3.33Å
256S97.9Very high96.4Very high18 Ų1840.6 Ų40.613%0.12622%0.218CC..EExtended strand (participates in β ladder)trans-131.7127.6-179.2-166.90000111.3E227 R228 F229 E284E227-S256 PolarHBondContact O-N 3.32Å; R228-S256 WeakPolarHBondContact CA-O 3.34Å; F229-S256 PolarHBondContact N-O 2.92Å; S256-E284 WeakPolarHBondContact CA-O 3.27Å; S256-E284 PolarHBondContact OG-OE2 3.07Å
257L98.1Very high96.4Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-123122.5175.1176.463000110F229 L248 L254 V259 L272 L282 E284 I285 K286F229-L257 HydrophobicContact CB-CD1 4.42Å; F229-L257 HydrophobicContact CD1-CD1 3.65Å; F229-L257 HydrophobicContact CE1-CD1 4.46Å; F229-L257 HydrophobicContact CG-CD1 4.48Å; F229-L257 WeakPolarHBondContact O-CA 3.23Å; L248-L257 HydrophobicContact CD1-CD2 3.87Å; L248-L257 HydrophobicContact CD2-CD2 4.49Å; L248-L257 HydrophobicContact CG-CD2 4.48Å; L254-L257 HydrophobicContact CD2-CB 4.21Å; L254-L257 HydrophobicContact CD2-CD1 4.47Å; L257-V259 HydrophobicContact CD1-CG1 4.02Å; L257-V259 HydrophobicContact CG-CG1 4.16Å; L257-L272 HydrophobicContact CD2-CD2 4.34Å; L257-L282 HydrophobicContact CB-CD1 4.07Å; L257-L282 HydrophobicContact CB-CD2 4.39Å; L257-E284 PolarHBondContact N-O 3.02Å; L257-I285 HydrophobicContact CB-CG1 4.37Å; L257-I285 HydrophobicContact CD2-CD1 4.26Å; L257-I285 HydrophobicContact CD2-CG1 4.36Å; L257-I285 HydrophobicContact CG-CG1 4.5Å; L257-I285 CarbonylContact O-C 3.59Å; L257-I285 WeakPolarHBondContact O-CA 3.46Å; L257-K286 PolarHBondContact O-N 3.17Å
258N98.1Very high96.3Very high16 Ų1637.6 Ų37.69%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-119.5118.7174.1-166.9-8.6000112.2F229 I231 V232 E260 K286F229-N258 PolarHBondContact O-N 2.81Å; I231-N258 PolarHBondContact N-O 3.31Å; V232-N258 HydrophobicContact CG2-CB 4.18Å; V232-N258 WeakPolarHBondContact CG2-ND2 3.19Å; V232-N258 WeakPolarHBondContact CG2-OD1 2.92Å; N258-E260 PolarHBondContact ND2-OE2 3.09Å; N258-E260 VanDerWaalsContact OD1-CB 3.29Å; N258-E260 WeakPolarHBondContact OD1-CB 3.42Å; N258-E260 WeakPolarHBondContact OD1-CG 3.36Å; N258-E260 PolarHBondContact OD1-N 3.25Å; N258-E260 PolarHBondContact OD1-OE2 3.34Å; N258-K286 HydrophobicContact CB-CB 4.16Å; N258-K286 HydrophobicContact CB-CD 4.46Å; N258-K286 WeakPolarHBondContact OD1-CB 3.13Å
259V97.1Very high96.4Very high0 Ų037.6 Ų37.60%021%0.214CC..  trans-12522.8177.5-57.90000112.4I231 L244 L257 N262 I264 L272 K286 I287 Q290I231-V259 HydrophobicContact CD1-CG1 3.87Å; I231-V259 HydrophobicContact CG1-CB 4.38Å; I231-V259 HydrophobicContact CG1-CG1 3.81Å; L244-V259 HydrophobicContact CD1-CG1 3.92Å; L257-V259 HydrophobicContact CD1-CG1 4.02Å; L257-V259 HydrophobicContact CG-CG1 4.16Å; V259-N262 PolarHBondContact O-ND2 2.99Å; V259-I264 HydrophobicContact CB-CD1 3.92Å; V259-I264 HydrophobicContact CG2-CD1 3.98Å; V259-L272 HydrophobicContact CG2-CD1 4.35Å; V259-K286 WeakPolarHBondContact CG2-O 3.35Å; V259-K286 PolarHBondContact N-O 2.78Å; V259-I287 HydrophobicContact CG2-CB 4.33Å; V259-I287 HydrophobicContact CG2-CG2 3.75Å; V259-Q290 PolarHBondContact O-NE2 3.35Å
260E96.6Very high96.5Very high50 Ų5033.6 Ų33.623%0.23420%0.198CC..  trans-57.4158.3177.3-75.3166.4162.900113.4V232 G233 N258 N262 K286 D288V232-E260 WeakPolarHBondContact CA-O 3.25Å; V232-E260 HydrophobicContact CG1-CB 4.19Å; V232-E260 HydrophobicContact CG2-CB 4.18Å; G233-E260 PolarHBondContact N-O 3.31Å; N258-E260 PolarHBondContact ND2-OE2 3.09Å; N258-E260 VanDerWaalsContact OD1-CB 3.29Å; N258-E260 WeakPolarHBondContact OD1-CB 3.42Å; N258-E260 WeakPolarHBondContact OD1-CG 3.36Å; N258-E260 PolarHBondContact OD1-N 3.25Å; N258-E260 PolarHBondContact OD1-OE2 3.34Å; E260-N262 VanDerWaalsContact C-N 3.34Å; E260-N262 PolarHBondContact O-N 3.33Å; E260-N262 PolarHBondContact O-ND2 3.31Å; E260-K286 HydrophobicContact CG-CB 3.9Å; E260-K286 WeakPolarHBondContact OE1-CB 3.49Å; E260-D288 VanDerWaalsContact CA-O 3.25Å; E260-D288 WeakPolarHBondContact CA-O 3.42Å; E260-D288 HydrophobicContact CG-CB 4.26Å
261S95.7Very high96.5Very high45 Ų4530.4 Ų30.432%0.31518%0.18SC..SBendtrans56.843.9171.8-52.40000113.7G233 D288 N289G233-S261 VanDerWaalsContact CA-O 3.28Å; G233-S261 WeakPolarHBondContact CA-O 3.47Å; G233-S261 PolarHBondContact N-O 3.17Å; S261-D288 PolarHBondContact N-O 3.5Å; S261-D288 VanDerWaalsContact N-O 3.12Å; S261-N289 VanDerWaalsContact CA-O 3.23Å; S261-N289 WeakPolarHBondContact CA-O 3.29Å; S261-N289 PolarHBondContact N-O 3.3Å; S261-N289 PolarHBondContact OG-ND2 3.04Å
262N96.3Very high96.5Very high2 Ų230.1 Ų30.11%0.01118%0.178CC..SBendtrans-124.3-172.2180-78.9-59.4000111.7I231 T234 R235 S236 V259 E260 I264 Q290 S291I231-N262 PolarHBondContact O-ND2 2.92Å; T234-N262 PolarHBondContact N-OD1 2.93Å; T234-N262 VanDerWaalsContact N-OD1 3.16Å; T234-N262 PolarHBondContact OG1-OD1 3.34Å; R235-N262 PolarHBondContact N-OD1 2.8Å; R235-N262 VanDerWaalsContact N-OD1 3.12Å; S236-N262 PolarHBondContact N-OD1 2.8Å; V259-N262 PolarHBondContact O-ND2 2.99Å; E260-N262 VanDerWaalsContact C-N 3.34Å; E260-N262 PolarHBondContact O-N 3.33Å; E260-N262 PolarHBondContact O-ND2 3.31Å; N262-I264 HydrophobicContact CB-CD1 4.34Å; N262-I264 HydrophobicContact CB-CG1 4.17Å; N262-Q290 WeakPolarHBondContact O-CA 3.37Å; N262-Q290 PolarHBondContact O-OE1 3.38Å; N262-Q290 VanDerWaalsContact O-OE1 3.09Å; N262-S291 PolarHBondContact O-N 3.17Å
263F96.1Very high96.6Very high108 Ų10826 Ų2647%0.47415%0.15SC..BIsolated β-bridgetrans-109.638.3-179.2-62.8-101.1000110.9R235 S236 S291R235-F263 HydrophobicContact CB-CD2 4.14Å; R235-F263 HydrophobicContact CB-CE2 4.11Å; R235-F263 HydrophobicContact CG-CD2 4.47Å; R235-F263 HydrophobicContact CG-CE2 3.94Å; S236-F263 CarbonylContact O-C 3.43Å; S236-F263 WeakPolarHBondContact O-CA 3.46Å; S236-F263 PolarHBondContact O-N 3.1Å; F263-S291 VanDerWaalsContact CD1-CB 3.48Å
264I96.5Very high96.5Very high0 Ų028.8 Ų28.80%016%0.16CC..  trans-85.5128.4177.7-51.9170.5000108.2A241 V259 N262 I269A241-I264 HydrophobicContact CB-CD1 4.25Å; A241-I264 HydrophobicContact CB-CG1 4.41Å; A241-I264 HydrophobicContact CB-CG2 3.6Å; V259-I264 HydrophobicContact CB-CD1 3.92Å; V259-I264 HydrophobicContact CG2-CD1 3.98Å; N262-I264 HydrophobicContact CB-CD1 4.34Å; N262-I264 HydrophobicContact CB-CG1 4.17Å; I264-I269 HydrophobicContact CB-CD1 4.1Å; I264-I269 HydrophobicContact CB-CG1 4.43Å; I264-I269 HydrophobicContact CD1-CD1 4.43Å; I264-I269 HydrophobicContact CG2-CD1 3.69Å; I264-I269 HydrophobicContact CG2-CG1 3.87Å
265T96.3Very high96.4Very high58 Ų5828.7 Ų28.736%0.35616%0.16SC..  trans-83.7172.1178.679.30000111.1D238 A267 G268 I269D238-T265 VanDerWaalsContact CG-OG1 3.24Å; D238-T265 PolarHBondContact OD1-N 3.36Å; D238-T265 PolarHBondContact OD1-OG1 3.09Å; D238-T265 WeakPolarHBondContact OD2-CB 3.34Å; D238-T265 WeakPolarHBondContact OD2-CG2 3.47Å; D238-T265 PolarHBondContact OD2-OG1 3.01Å; T265-A267 PolarHBondContact O-N 2.9Å; T265-A267 VanDerWaalsContact O-N 3.13Å; T265-A267 PolarHBondContact OG1-N 3.46Å; T265-G268 PolarHBondContact O-N 3.22Å; T265-G268 VanDerWaalsContact O-N 3.16Å; T265-I269 PolarHBondContact O-N 3.34Å
266G95.6Very high96.2Very high12 Ų1225 Ų2512%0.12414%0.143CC..Hα-helixtrans-54.2-29.6172.800000113.9L270G266-L270 WeakPolarHBondContact O-CB 3.26Å; G266-L270 PolarHBondContact O-N 2.97Å
267A95.8Very high95.8Very high56 Ų5628.1 Ų28.146%0.46316%0.156SC..Hα-helixtrans-71.5-44.3177.500000112.4T265 L270 S271T265-A267 PolarHBondContact O-N 2.9Å; T265-A267 VanDerWaalsContact O-N 3.13Å; T265-A267 PolarHBondContact OG1-N 3.46Å; A267-L270 PolarHBondContact O-N 3.36Å; A267-S271 PolarHBondContact O-N 3.43Å; A267-S271 VanDerWaalsContact O-N 3.13Å
268G96.3Very high95.2Very high0 Ų034.1 Ų34.10%019%0.188CC..Hα-helixtrans-63.8-44.2175.700000112.1T265 S271 L272T265-G268 PolarHBondContact O-N 3.22Å; T265-G268 VanDerWaalsContact O-N 3.16Å; G268-S271 PolarHBondContact O-N 3.05Å; G268-L272 PolarHBondContact O-N 3.27Å; G268-L272 VanDerWaalsContact O-N 3.14Å
269I97.1Very high94.9Very high0 Ų033.7 Ų33.70%019%0.186CC..Hα-helixtrans-62.7-45.8175.1-65.8-53000111.5I264 T265 S271 L272 I273 I287 L294 I302I264-I269 HydrophobicContact CB-CD1 4.1Å; I264-I269 HydrophobicContact CB-CG1 4.43Å; I264-I269 HydrophobicContact CD1-CD1 4.43Å; I264-I269 HydrophobicContact CG2-CD1 3.69Å; I264-I269 HydrophobicContact CG2-CG1 3.87Å; T265-I269 PolarHBondContact O-N 3.34Å; I269-S271 PolarHBondContact O-N 3.24Å; I269-L272 HydrophobicContact CD1-CD1 4.19Å; I269-L272 WeakPolarHBondContact O-CB 3.38Å; I269-L272 PolarHBondContact O-N 3.37Å; I269-L272 VanDerWaalsContact O-N 3.09Å; I269-I273 HydrophobicContact CG2-CG1 4.15Å; I269-I273 WeakPolarHBondContact O-CG1 3.37Å; I269-I273 PolarHBondContact O-N 3.37Å; I269-I287 HydrophobicContact CD1-CB 3.87Å; I269-I287 HydrophobicContact CD1-CD1 4.41Å; I269-I287 HydrophobicContact CD1-CG2 3.95Å; I269-I287 HydrophobicContact CG2-CD1 3.45Å; I269-I287 VanDerWaalsContact CG2-CD1 3.45Å; I269-L294 HydrophobicContact CB-CD1 4.38Å; I269-L294 HydrophobicContact CB-CD2 4.25Å; I269-L294 HydrophobicContact CG1-CD1 4.4Å; I269-L294 HydrophobicContact CG1-CD2 3.75Å; I269-L294 HydrophobicContact CG2-CD1 3.89Å; I269-I302 HydrophobicContact CG2-CD1 3.87Å
270L96.4Very high94.6Very high37 Ų3738.4 Ų38.419%0.19422%0.215CC..Hα-helixtrans-58.3-41.3179.8-173.664.9000111.2G266 A267 L272 I273 E274 V298 E301 I305G266-L270 WeakPolarHBondContact O-CB 3.26Å; G266-L270 PolarHBondContact O-N 2.97Å; A267-L270 PolarHBondContact O-N 3.36Å; L270-L272 PolarHBondContact O-N 3.05Å; L270-I273 PolarHBondContact O-N 2.91Å; L270-E274 WeakPolarHBondContact O-CB 3.35Å; L270-E274 WeakPolarHBondContact O-CG 3.48Å; L270-E274 PolarHBondContact O-N 3.47Å; L270-V298 HydrophobicContact CB-CG1 4.39Å; L270-E301 HydrophobicContact CD1-CB 3.74Å; L270-I305 HydrophobicContact CD1-CD1 3.92Å
271S96.8Very high94.4Very high26 Ų2637.5 Ų37.518%0.18221%0.213CC..Hα-helixtrans-61.3-42.1175.3-170.60000112.9A245 A267 G268 I269 E274 S275A245-S271 WeakPolarHBondContact CB-O 3.44Å; A245-S271 WeakPolarHBondContact CB-OG 3.2Å; A267-S271 PolarHBondContact O-N 3.43Å; A267-S271 VanDerWaalsContact O-N 3.13Å; G268-S271 PolarHBondContact O-N 3.05Å; I269-S271 PolarHBondContact O-N 3.24Å; S271-E274 PolarHBondContact O-N 3.24Å; S271-S275 PolarHBondContact O-N 3.46Å; S271-S275 VanDerWaalsContact O-N 3.16Å
272L95.9Very high94.4Very high0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-59.2-47.1172.9-78.6168.5000111.3A241 L244 A245 L248 L257 V259 G268 I269 L270 S275A241-L272 HydrophobicContact CB-CD1 3.97Å; A241-L272 HydrophobicContact CB-CG 4.28Å; L244-L272 HydrophobicContact CB-CD2 3.66Å; A245-L272 HydrophobicContact CB-CD2 4.22Å; L248-L272 HydrophobicContact CD1-CD2 3.99Å; L257-L272 HydrophobicContact CD2-CD2 4.34Å; V259-L272 HydrophobicContact CG2-CD1 4.35Å; G268-L272 PolarHBondContact O-N 3.27Å; G268-L272 VanDerWaalsContact O-N 3.14Å; I269-L272 HydrophobicContact CD1-CD1 4.19Å; I269-L272 WeakPolarHBondContact O-CB 3.38Å; I269-L272 PolarHBondContact O-N 3.37Å; I269-L272 VanDerWaalsContact O-N 3.09Å; L270-L272 PolarHBondContact O-N 3.05Å; L272-S275 WeakPolarHBondContact O-CB 3.39Å; L272-S275 PolarHBondContact O-N 3.46Å; L272-S275 PolarHBondContact O-OG 3.33Å
273I95.4Very high94.4Very high0 Ų037.5 Ų37.50%021%0.209CC..Hα-helixtrans-69.6-37.2-178.2-58-47.9000111.9I269 L270 S275 L276 I285 I302 I305 F315I269-I273 HydrophobicContact CG2-CG1 4.15Å; I269-I273 WeakPolarHBondContact O-CG1 3.37Å; I269-I273 PolarHBondContact O-N 3.37Å; L270-I273 PolarHBondContact O-N 2.91Å; I273-S275 PolarHBondContact O-N 2.95Å; I273-L276 HydrophobicContact CD1-CD1 3.8Å; I273-L276 VanDerWaalsContact O-CB 3.3Å; I273-L276 WeakPolarHBondContact O-CB 3.48Å; I273-L276 PolarHBondContact O-N 3.07Å; I273-I285 HydrophobicContact CD1-CD1 4.1Å; I273-I302 HydrophobicContact CG1-CG1 4.17Å; I273-I302 HydrophobicContact CG1-CG2 4.47Å; I273-I302 HydrophobicContact CG2-CG2 4.38Å; I273-I305 HydrophobicContact CG2-CB 3.79Å; I273-I305 HydrophobicContact CG2-CD1 4.1Å; I273-I305 HydrophobicContact CG2-CG2 3.63Å; I273-I305 VanDerWaalsContact O-CG2 3.31Å; I273-I305 WeakPolarHBondContact O-CG2 3.28Å; I273-F315 HydrophobicContact CD1-CE2 3.59Å; I273-F315 HydrophobicContact CD1-CZ 4.24Å; I273-F315 HydrophobicContact CG1-CE2 4.47Å
274E95.3Very high94.5Very high94 Ų9434 Ų3444%0.43919%0.194SC..Hα-helixtrans-59-35.7173.1-77.4179174.100112.4L270 S271 L276 Q277 I305L270-E274 WeakPolarHBondContact O-CB 3.35Å; L270-E274 WeakPolarHBondContact O-CG 3.48Å; L270-E274 PolarHBondContact O-N 3.47Å; S271-E274 PolarHBondContact O-N 3.24Å; E274-L276 PolarHBondContact O-N 2.91Å; E274-Q277 PolarHBondContact O-N 3.06Å; E274-I305 HydrophobicContact CG-CD1 3.69Å
275S94Very high94.5Very high0 Ų034 Ų340%019%0.194CC..Hα-helixtrans-63.1-26.6176.178.20000113.2A245 L248 S271 L272 I273 Q277A245-S275 WeakPolarHBondContact O-CB 3.38Å; L248-S275 WeakPolarHBondContact CB-OG 3.42Å; L248-S275 WeakPolarHBondContact CD1-OG 3.38Å; S271-S275 PolarHBondContact O-N 3.46Å; S271-S275 VanDerWaalsContact O-N 3.16Å; L272-S275 WeakPolarHBondContact O-CB 3.39Å; L272-S275 PolarHBondContact O-N 3.46Å; L272-S275 PolarHBondContact O-OG 3.33Å; I273-S275 PolarHBondContact O-N 2.95Å; S275-Q277 VanDerWaalsContact C-N 3.25Å; S275-Q277 PolarHBondContact O-N 3.1Å
276L92.7Very high94.6Very high2 Ų234.3 Ų34.31%0.0119%0.191CC..THydrogen-bonded Turntrans-71.1-16-179.7-57.1178.1000113.6L248 I273 E274 N278 N279 L282 I285 N309 L312L248-L276 HydrophobicContact CD1-CD2 4.18Å; I273-L276 HydrophobicContact CD1-CD1 3.8Å; I273-L276 VanDerWaalsContact O-CB 3.3Å; I273-L276 WeakPolarHBondContact O-CB 3.48Å; I273-L276 PolarHBondContact O-N 3.07Å; E274-L276 PolarHBondContact O-N 2.91Å; L276-N278 PolarHBondContact O-N 2.89Å; L276-N279 PolarHBondContact O-N 2.99Å; L276-L282 HydrophobicContact CD2-CB 4.42Å; L276-L282 HydrophobicContact CD2-CD2 3.51Å; L276-I285 HydrophobicContact CD1-CD1 4.26Å; L276-I285 HydrophobicContact CD1-CG2 4.25Å; L276-N309 PolarHBondContact O-ND2 3.34Å; L276-L312 HydrophobicContact CD1-CD2 4.26Å
277Q89.9Confident94.7Very high84 Ų8433.8 Ų33.839%0.39319%0.185SC..THydrogen-bonded Turntrans-60-32.7178.4-69.2-176.29.500112.6E274 S275 I305E274-Q277 PolarHBondContact O-N 3.06Å; S275-Q277 VanDerWaalsContact C-N 3.25Å; S275-Q277 PolarHBondContact O-N 3.1Å; Q277-I305 HydrophobicContact CG-CG2 3.58Å
278N85.4Confident94.6Very high126 Ų12633.8 Ų33.867%0.67418%0.177SC*.THydrogen-bonded Turntrans-107.9-11.5-177.8-58.4-47.7000112.8L276L276-N278 PolarHBondContact O-N 2.89Å
279N90.8Very high94.6Very high7 Ų739 Ų394%0.03721%0.205CC..  trans-83.6125.2178.5-173-72000110L248 N251 L276 T281 L282 N309 T311L248-N279 PolarHBondContact O-ND2 2.9Å; N251-N279 PolarHBondContact O-ND2 3.28Å; N251-N279 VanDerWaalsContact O-ND2 3.15Å; L276-N279 PolarHBondContact O-N 2.99Å; N279-T281 PolarHBondContact ND2-OG1 3.38Å; N279-T281 PolarHBondContact OD1-N 2.88Å; N279-T281 PolarHBondContact OD1-OG1 3.07Å; N279-L282 WeakPolarHBondContact OD1-CB 3.26Å; N279-L282 PolarHBondContact OD1-N 3.14Å; N279-N309 PolarHBondContact O-ND2 2.97Å; N279-T311 PolarHBondContact O-OG1 3.36Å
280T90.8Very high94.5Very high99 Ų9940.1 Ų40.161%0.60721%0.21SC*.  trans-110.47.5-179.954.40000113.7T311T280-T311 HydrophobicContact CG2-CG2 4.13Å
281T94.1Very high94.3Very high31 Ų3141 Ų4119%0.1922%0.219CC..SBendtrans-113.6-30.5-169.267.70000112.7S252 L254 N279 L283S252-T281 WeakPolarHBondContact O-CG2 3.5Å; L254-T281 CarbonylContact O-C 3.59Å; L254-T281 PolarHBondContact O-OG1 3.48Å; N279-T281 PolarHBondContact ND2-OG1 3.38Å; N279-T281 PolarHBondContact OD1-N 2.88Å; N279-T281 PolarHBondContact OD1-OG1 3.07Å; T281-L283 PolarHBondContact O-N 3.41Å
282L95.9Very high94.1Very high1 Ų145.9 Ų45.91%0.00524%0.239CC..  trans-72.7125.3178-16077.3000110.4L248 L254 L257 L276 N279 I285 L312L248-L282 HydrophobicContact CD1-CD2 4.38Å; L248-L282 HydrophobicContact CD2-CD1 4.13Å; L248-L282 HydrophobicContact CD2-CD2 4.06Å; L254-L282 HydrophobicContact CB-CD1 4.37Å; L254-L282 HydrophobicContact CD2-CD1 4.04Å; L254-L282 HydrophobicContact CG-CD1 4.04Å; L254-L282 WeakPolarHBondContact O-CA 3.48Å; L254-L282 PolarHBondContact O-N 3.3Å; L257-L282 HydrophobicContact CB-CD1 4.07Å; L257-L282 HydrophobicContact CB-CD2 4.39Å; L276-L282 HydrophobicContact CD2-CB 4.42Å; L276-L282 HydrophobicContact CD2-CD2 3.51Å; N279-L282 WeakPolarHBondContact OD1-CB 3.26Å; N279-L282 PolarHBondContact OD1-N 3.14Å; L282-I285 HydrophobicContact CD2-CB 3.99Å; L282-I285 HydrophobicContact CD2-CD1 4.35Å; L282-I285 HydrophobicContact CD2-CG1 4.4Å; L282-L312 HydrophobicContact CD2-CD1 4.48Å
283L96.1Very high93.9Very high46 Ų4650.8 Ų50.824%0.24127%0.271CS..  trans-105.8-29.7-178-58.2179.2000112.2K255 T281 L313 K314K255-L283 HydrophobicContact CB-CD1 4.43Å; K255-L283 HydrophobicContact CD-CD1 4.47Å; K255-L283 HydrophobicContact CG-CD1 4.47Å; K255-L283 PolarHBondContact O-N 2.68Å; T281-L283 PolarHBondContact O-N 3.41Å; L283-L313 HydrophobicContact CD2-CD1 4.27Å; L283-L313 HydrophobicContact CD2-CG 4.37Å; L283-L313 PolarHBondContact O-N 2.93Å; L283-K314 PolarHBondContact O-N 3.3Å
284E97.1Very high93.7Very high36 Ų3651.3 Ų51.317%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-135.2129.5-177.7178.9174-154.100110.6K255 S256 L257 K286 K314K255-E284 PolarHBondContact O-N 3.33Å; S256-E284 WeakPolarHBondContact CA-O 3.27Å; S256-E284 PolarHBondContact OG-OE2 3.07Å; L257-E284 PolarHBondContact N-O 3.02Å; E284-K286 HydrophobicContact CG-CG 4.41Å; E284-K286 WeakPolarHBondContact OE1-CE 3.4Å; E284-K286 IonicContact OE1-NZ 2.86Å; E284-K286 PolarHBondContact OE1-NZ 3.44Å; E284-K314 WeakPolarHBondContact CA-O 3.19Å; E284-K314 HydrophobicContact CB-CB 4.11Å; E284-K314 HydrophobicContact CG-CB 3.9Å; E284-K314 HydrophobicContact CG-CD 4.35Å
285I97.4Very high93.6Very high0 Ų048.4 Ų48.40%027%0.269CS..EExtended strand (participates in β ladder)trans-131.7131169-165.8175.6000109.4L257 I273 L276 L282 I287 L312 K314 F315 G316L257-I285 HydrophobicContact CB-CG1 4.37Å; L257-I285 HydrophobicContact CD2-CD1 4.26Å; L257-I285 HydrophobicContact CD2-CG1 4.36Å; L257-I285 HydrophobicContact CG-CG1 4.5Å; L257-I285 CarbonylContact O-C 3.59Å; L257-I285 WeakPolarHBondContact O-CA 3.46Å; I273-I285 HydrophobicContact CD1-CD1 4.1Å; L276-I285 HydrophobicContact CD1-CD1 4.26Å; L276-I285 HydrophobicContact CD1-CG2 4.25Å; L282-I285 HydrophobicContact CD2-CB 3.99Å; L282-I285 HydrophobicContact CD2-CD1 4.35Å; L282-I285 HydrophobicContact CD2-CG1 4.4Å; I285-I287 HydrophobicContact CD1-CG2 4.19Å; I285-I287 HydrophobicContact CG1-CG2 4.02Å; I285-L312 HydrophobicContact CB-CD1 4.32Å; I285-L312 HydrophobicContact CG2-CD1 3.95Å; I285-L312 HydrophobicContact CG2-CD2 3.82Å; I285-K314 PolarHBondContact N-O 3.49Å; I285-K314 VanDerWaalsContact N-O 3.08Å; I285-F315 HydrophobicContact CG2-CD2 3.49Å; I285-F315 VanDerWaalsContact CG2-CD2 3.49Å; I285-F315 HydrophobicContact CG2-CE2 3.88Å; I285-G316 PolarHBondContact O-N 3.06Å
286K97.8Very high93.6Very high64 Ų6452.7 Ų52.728%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-121.4121.2179.4-73.9179.3175.7149.60109.9L257 N258 V259 E260 E284L257-K286 PolarHBondContact O-N 3.17Å; N258-K286 HydrophobicContact CB-CB 4.16Å; N258-K286 HydrophobicContact CB-CD 4.46Å; N258-K286 WeakPolarHBondContact OD1-CB 3.13Å; V259-K286 WeakPolarHBondContact CG2-O 3.35Å; V259-K286 PolarHBondContact N-O 2.78Å; E260-K286 HydrophobicContact CG-CB 3.9Å; E260-K286 WeakPolarHBondContact OE1-CB 3.49Å; E284-K286 HydrophobicContact CG-CG 4.41Å; E284-K286 WeakPolarHBondContact OE1-CE 3.4Å; E284-K286 IonicContact OE1-NZ 2.86Å; E284-K286 PolarHBondContact OE1-NZ 3.44Å
287I96.8Very high93.7Very high0 Ų060.5 Ų60.50%033%0.326CS..  trans-132.17.2-172.862.3161.5000112.7V259 I269 I285 Q290 L294 F315 G316 Y317V259-I287 HydrophobicContact CG2-CB 4.33Å; V259-I287 HydrophobicContact CG2-CG2 3.75Å; I269-I287 HydrophobicContact CD1-CB 3.87Å; I269-I287 HydrophobicContact CD1-CD1 4.41Å; I269-I287 HydrophobicContact CD1-CG2 3.95Å; I269-I287 HydrophobicContact CG2-CD1 3.45Å; I269-I287 VanDerWaalsContact CG2-CD1 3.45Å; I285-I287 HydrophobicContact CD1-CG2 4.19Å; I285-I287 HydrophobicContact CG1-CG2 4.02Å; I287-Q290 WeakPolarHBondContact O-CG 3.34Å; I287-Q290 PolarHBondContact O-NE2 3.39Å; I287-L294 HydrophobicContact CD1-CD1 4.28Å; I287-F315 HydrophobicContact CD1-CE1 4.48Å; I287-F315 HydrophobicContact CD1-CE2 3.98Å; I287-F315 HydrophobicContact CD1-CZ 3.56Å; I287-F315 HydrophobicContact CG1-CE2 4.34Å; I287-F315 HydrophobicContact CG1-CZ 4.17Å; I287-G316 WeakPolarHBondContact CG1-O 2.83Å; I287-G316 PolarHBondContact N-O 2.85Å; I287-Y317 HydrophobicContact CD1-CD2 4.09Å; I287-Y317 HydrophobicContact CD1-CG 4.08Å; I287-Y317 HydrophobicContact CG1-CD2 4.11Å; I287-Y317 HydrophobicContact CG1-CG 4.21Å
288D95.4Very high94Very high56 Ų5657.8 Ų57.830%0.29932%0.315SS..  trans-70169.7-172.8-147.9-7.5000113.5E260 S261 Q290 G316 H318E260-D288 VanDerWaalsContact CA-O 3.25Å; E260-D288 WeakPolarHBondContact CA-O 3.42Å; E260-D288 HydrophobicContact CG-CB 4.26Å; S261-D288 PolarHBondContact N-O 3.5Å; S261-D288 VanDerWaalsContact N-O 3.12Å; D288-Q290 VanDerWaalsContact C-N 3.32Å; D288-Q290 PolarHBondContact O-N 3.15Å; D288-G316 PolarHBondContact N-O 3.31Å; D288-H318 PolarHBondContact OD2-N 3.36Å
289N95.6Very high94.5Very high111 Ų11151.8 Ų51.859%0.59428%0.283SS*.SBendtrans56.339.1176.4-165.839.4000114.2S261S261-N289 VanDerWaalsContact CA-O 3.23Å; S261-N289 WeakPolarHBondContact CA-O 3.29Å; S261-N289 PolarHBondContact N-O 3.3Å; S261-N289 PolarHBondContact OG-ND2 3.04Å
290Q95.8Very high94.7Very high23 Ų2355.7 Ų55.711%0.10730%0.302CS..  trans-69.5155.9171-58.3-55.5-40.900111V259 N262 I287 D288 Q292 L294V259-Q290 PolarHBondContact O-NE2 3.35Å; N262-Q290 WeakPolarHBondContact O-CA 3.37Å; N262-Q290 PolarHBondContact O-OE1 3.38Å; N262-Q290 VanDerWaalsContact O-OE1 3.09Å; I287-Q290 WeakPolarHBondContact O-CG 3.34Å; I287-Q290 PolarHBondContact O-NE2 3.39Å; D288-Q290 VanDerWaalsContact C-N 3.32Å; D288-Q290 PolarHBondContact O-N 3.15Å; Q290-Q292 PolarHBondContact O-N 3.1Å; Q290-L294 HydrophobicContact CG-CD2 4.44Å
291S91.7Very high94.9Very high54 Ų5455.3 Ų55.338%0.37829%0.293SS..SBendtrans-55.7-23.4-178.667.80000115.1N262 F263N262-S291 PolarHBondContact O-N 3.17Å; F263-S291 VanDerWaalsContact CD1-CB 3.48Å
292Q91.2Very high95Very high129 Ų12953.9 Ų53.960%0.60328%0.284SS*.SBendtrans-136.8148.9-179.7-66.3-62.9-45.200109.6Q290Q290-Q292 PolarHBondContact O-N 3.1Å
293P91.8Very high95Very high103 Ų10353.8 Ų53.867%0.66928%0.284SS*.  trans-62.8141.1172.327.6-34.1000110.5G295P293-G295 VanDerWaalsContact C-N 3.25Å; P293-G295 PolarHBondContact O-N 3.42Å
294L92.8Very high95Very high12 Ų1253.4 Ų53.46%0.06329%0.285CS..  trans-67.1-28.1-176.8-55.7-174.2000113I269 I287 Q290 V298 I302 Y317I269-L294 HydrophobicContact CB-CD1 4.38Å; I269-L294 HydrophobicContact CB-CD2 4.25Å; I269-L294 HydrophobicContact CG1-CD1 4.4Å; I269-L294 HydrophobicContact CG1-CD2 3.75Å; I269-L294 HydrophobicContact CG2-CD1 3.89Å; I287-L294 HydrophobicContact CD1-CD1 4.28Å; Q290-L294 HydrophobicContact CG-CD2 4.44Å; L294-V298 HydrophobicContact CB-CB 4.39Å; L294-V298 HydrophobicContact CB-CG1 4.21Å; L294-V298 WeakPolarHBondContact O-CB 3.31Å; L294-V298 VanDerWaalsContact O-CG2 3.32Å; L294-V298 WeakPolarHBondContact O-CG2 3.29Å; L294-I302 HydrophobicContact CD1-CD1 3.84Å; L294-Y317 HydrophobicContact CD1-CD2 4.04Å; L294-Y317 HydrophobicContact CD1-CE1 4.14Å; L294-Y317 HydrophobicContact CD1-CE2 3.4Å; L294-Y317 VanDerWaalsContact CD1-CZ 3.48Å; L294-Y317 HydrophobicContact CG-CE2 3.78Å
295G93.1Very high94.9Very high32 Ų3252 Ų5233%0.3328%0.279SS..  trans93148.3179.700000113.9P293 K297 V298 E299P293-G295 VanDerWaalsContact C-N 3.25Å; P293-G295 PolarHBondContact O-N 3.42Å; G295-K297 VanDerWaalsContact C-N 3.32Å; G295-K297 PolarHBondContact O-N 3.04Å; G295-V298 PolarHBondContact O-N 3.15Å; G295-V298 VanDerWaalsContact O-N 3.07Å; G295-E299 PolarHBondContact O-N 3.22Å; G295-E299 VanDerWaalsContact O-N 3.09Å
296N94.2Very high94.8Very high91 Ų9152 Ų5249%0.48728%0.279SS..Hα-helixtrans-57.8-39.5-170.4-62.1-11000113.8E299 M300 Q321N296-E299 PolarHBondContact O-N 3.44Å; N296-M300 VanDerWaalsContact O-CG 3.29Å; N296-M300 WeakPolarHBondContact O-CG 3.48Å; N296-M300 PolarHBondContact O-N 3.3Å; N296-Q321 HydrophobicContact CB-CG 4.24Å; N296-Q321 PolarHBondContact OD1-NE2 3.36Å; N296-Q321 VanDerWaalsContact OD1-NE2 3.11Å
297K94.3Very high94.6Very high165 Ų16553.7 Ų53.772%0.71729%0.288SS*.Hα-helixtrans-64-43.2178.7-175.9179.4176.9-175.50111G295 M300 E301G295-K297 VanDerWaalsContact C-N 3.32Å; G295-K297 PolarHBondContact O-N 3.04Å; K297-M300 PolarHBondContact O-N 2.73Å; K297-E301 WeakPolarHBondContact O-CG 3.39Å; K297-E301 PolarHBondContact O-N 3.46Å
298V95.5Very high94.4Very high28 Ų2859.9 Ų59.917%0.1731%0.314CS..Hα-helixtrans-65.9-43.2-179.9178.90000110.3L270 L294 G295 M300 E301 I302L270-V298 HydrophobicContact CB-CG1 4.39Å; L294-V298 HydrophobicContact CB-CB 4.39Å; L294-V298 HydrophobicContact CB-CG1 4.21Å; L294-V298 WeakPolarHBondContact O-CB 3.31Å; L294-V298 VanDerWaalsContact O-CG2 3.32Å; L294-V298 WeakPolarHBondContact O-CG2 3.29Å; G295-V298 PolarHBondContact O-N 3.15Å; G295-V298 VanDerWaalsContact O-N 3.07Å; V298-M300 VanDerWaalsContact C-N 3.3Å; V298-M300 PolarHBondContact O-N 3.23Å; V298-E301 PolarHBondContact O-N 3.48Å; V298-I302 HydrophobicContact CG1-CD1 3.86Å; V298-I302 HydrophobicContact CG1-CG1 4.26Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 2.91Å
299E96Very high94.2Very high0 Ų057.5 Ų57.50%030%0.302CS..Hα-helixtrans-59.1-39.1176.4-70.4-166.917800113.3G295 N296 I302 A303 Y317 F319 T320 Q321 P324G295-E299 PolarHBondContact O-N 3.22Å; G295-E299 VanDerWaalsContact O-N 3.09Å; N296-E299 PolarHBondContact O-N 3.44Å; E299-I302 PolarHBondContact O-N 3.28Å; E299-A303 PolarHBondContact O-N 3.4Å; E299-Y317 HydrophobicContact CG-CE1 3.92Å; E299-Y317 PolarHBondContact OE1-OH 3.35Å; E299-F319 HydrophobicContact CB-CD1 4.09Å; E299-F319 HydrophobicContact CB-CE1 4.46Å; E299-F319 HydrophobicContact CG-CD1 4.17Å; E299-T320 WeakPolarHBondContact OE1-CB 3.38Å; E299-T320 WeakPolarHBondContact OE1-CG2 3.5Å; E299-T320 PolarHBondContact OE1-N 3.23Å; E299-T320 PolarHBondContact OE1-OG1 2.86Å; E299-T320 PolarHBondContact OE2-N 3.11Å; E299-T320 VanDerWaalsContact OE2-N 3.13Å; E299-T320 PolarHBondContact OE2-OG1 2.93Å; E299-Q321 PolarHBondContact OE2-N 2.98Å; E299-P324 HydrophobicContact CB-CB 4.19Å; E299-P324 HydrophobicContact CB-CG 4.17Å
300M95.6Very high94Very high89 Ų8955.8 Ų55.844%0.43830%0.296SS..Hα-helixtrans-63.9-41.9176.7-70.4-72.5-66.400112N296 K297 V298 S304 P324 R327N296-M300 VanDerWaalsContact O-CG 3.29Å; N296-M300 WeakPolarHBondContact O-CG 3.48Å; N296-M300 PolarHBondContact O-N 3.3Å; K297-M300 PolarHBondContact O-N 2.73Å; V298-M300 VanDerWaalsContact C-N 3.3Å; V298-M300 PolarHBondContact O-N 3.23Å; M300-S304 PolarHBondContact O-N 2.88Å; M300-S304 VanDerWaalsContact O-N 3.16Å; M300-P324 HydrophobicContact CG-CG 4.03Å; M300-P324 HydrophobicContact SD-CG 3.44Å; M300-P324 WeakPolarHBondContact SD-CG 3.32Å; M300-R327 PolarHBondContact SD-NH2 3.39Å
301E95.9Very high93.8Very high91 Ų9155.9 Ų55.943%0.42530%0.298SS..Hα-helixtrans-67.2-44.7176.1-64.9-60.3158.100111.3L270 K297 V298 A303 S304 I305L270-E301 HydrophobicContact CD1-CB 3.74Å; K297-E301 WeakPolarHBondContact O-CG 3.39Å; K297-E301 PolarHBondContact O-N 3.46Å; V298-E301 PolarHBondContact O-N 3.48Å; E301-A303 VanDerWaalsContact C-N 3.3Å; E301-A303 PolarHBondContact O-N 3.09Å; E301-S304 PolarHBondContact O-N 3.03Å; E301-I305 VanDerWaalsContact O-CG1 3.3Å; E301-I305 WeakPolarHBondContact O-CG1 3.28Å; E301-I305 PolarHBondContact O-N 3.48Å
302I96.1Very high94Very high0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-52.9-49.7174.9-70.7171000110.1I269 I273 L294 V298 E299 S304 I305 L306 F315 F319I269-I302 HydrophobicContact CG2-CD1 3.87Å; I273-I302 HydrophobicContact CG1-CG1 4.17Å; I273-I302 HydrophobicContact CG1-CG2 4.47Å; I273-I302 HydrophobicContact CG2-CG2 4.38Å; L294-I302 HydrophobicContact CD1-CD1 3.84Å; V298-I302 HydrophobicContact CG1-CD1 3.86Å; V298-I302 HydrophobicContact CG1-CG1 4.26Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 2.91Å; E299-I302 PolarHBondContact O-N 3.28Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 3.3Å; I302-I305 PolarHBondContact O-N 3.12Å; I302-I305 VanDerWaalsContact O-N 3.17Å; I302-L306 HydrophobicContact CG2-CD1 3.81Å; I302-L306 HydrophobicContact CG2-CG 4.18Å; I302-L306 VanDerWaalsContact O-CG 3.29Å; I302-L306 WeakPolarHBondContact O-CG 3.27Å; I302-L306 PolarHBondContact O-N 2.86Å; I302-F315 HydrophobicContact CG2-CE1 3.92Å; I302-F315 HydrophobicContact CG2-CE2 4.48Å; I302-F315 HydrophobicContact CG2-CZ 3.6Å; I302-F319 HydrophobicContact CB-CE1 4.47Å; I302-F319 HydrophobicContact CG2-CE1 4Å; I302-F319 HydrophobicContact CG2-CZ 3.94Å
303A95.7Very high94.1Very high0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-59.8-42.4178.300000112.5E299 E301 I305 L306 E307 P324 R327E299-A303 PolarHBondContact O-N 3.4Å; E301-A303 VanDerWaalsContact C-N 3.3Å; E301-A303 PolarHBondContact O-N 3.09Å; A303-I305 VanDerWaalsContact C-N 3.28Å; A303-I305 PolarHBondContact O-N 2.87Å; A303-L306 PolarHBondContact O-N 3.08Å; A303-E307 WeakPolarHBondContact O-CG 3.31Å; A303-E307 PolarHBondContact O-N 2.92Å; A303-E307 VanDerWaalsContact O-N 3.09Å; A303-P324 HydrophobicContact CB-CB 3.99Å; A303-R327 HydrophobicContact CB-CB 4.16Å
304S95.6Very high94.4Very high37 Ų3749.6 Ų49.626%0.25925%0.252SS..Hα-helixtrans-64.8-32.2177.6-173.70000113.2M300 E301 I302M300-S304 PolarHBondContact O-N 2.88Å; M300-S304 VanDerWaalsContact O-N 3.16Å; E301-S304 PolarHBondContact O-N 3.03Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 3.3Å
305I94.7Very high94.6Very high7 Ų750.4 Ų50.44%0.03626%0.255CS..Hα-helixtrans-76.5-43177.3-61.9167.1000110.7L270 I273 E274 Q277 E301 I302 A303 E307 K308 N309L270-I305 HydrophobicContact CD1-CD1 3.92Å; I273-I305 HydrophobicContact CG2-CB 3.79Å; I273-I305 HydrophobicContact CG2-CD1 4.1Å; I273-I305 HydrophobicContact CG2-CG2 3.63Å; I273-I305 VanDerWaalsContact O-CG2 3.31Å; I273-I305 WeakPolarHBondContact O-CG2 3.28Å; E274-I305 HydrophobicContact CG-CD1 3.69Å; Q277-I305 HydrophobicContact CG-CG2 3.58Å; E301-I305 VanDerWaalsContact O-CG1 3.3Å; E301-I305 WeakPolarHBondContact O-CG1 3.28Å; E301-I305 PolarHBondContact O-N 3.48Å; I302-I305 PolarHBondContact O-N 3.12Å; I302-I305 VanDerWaalsContact O-N 3.17Å; A303-I305 VanDerWaalsContact C-N 3.28Å; A303-I305 PolarHBondContact O-N 2.87Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.03Å; I305-K308 WeakPolarHBondContact O-CB 3.02Å; I305-K308 PolarHBondContact O-N 2.75Å; I305-N309 PolarHBondContact O-N 3.35Å
306L94.8Very high94.7Very high1 Ų149.9 Ų49.91%0.00525%0.249CC..Hα-helixtrans-60.3-35.6177.3-69.8177.4000112.2I302 A303 K308 N309 L312 F315 F319 A331 M332I302-L306 HydrophobicContact CG2-CD1 3.81Å; I302-L306 HydrophobicContact CG2-CG 4.18Å; I302-L306 VanDerWaalsContact O-CG 3.29Å; I302-L306 WeakPolarHBondContact O-CG 3.27Å; I302-L306 PolarHBondContact O-N 2.86Å; A303-L306 PolarHBondContact O-N 3.08Å; L306-K308 PolarHBondContact O-N 3.48Å; L306-N309 PolarHBondContact O-N 3.38Å; L306-N309 VanDerWaalsContact O-O 3.14Å; L306-L312 HydrophobicContact CD2-CD2 3.71Å; L306-F315 HydrophobicContact CD1-CD1 3.74Å; L306-F315 HydrophobicContact CD1-CD2 4.15Å; L306-F315 HydrophobicContact CD1-CE1 3.85Å; L306-F315 HydrophobicContact CD1-CE2 4.3Å; L306-F315 HydrophobicContact CD1-CG 3.88Å; L306-F315 HydrophobicContact CD1-CZ 4.14Å; L306-F315 HydrophobicContact CD2-CD2 4.05Å; L306-F315 HydrophobicContact CD2-CE2 4.33Å; L306-F315 HydrophobicContact CD2-CG 4.43Å; L306-F319 HydrophobicContact CD1-CZ 4.17Å; L306-A331 HydrophobicContact CB-CB 4.38Å; L306-M332 HydrophobicContact CB-CE 4.29Å; L306-M332 HydrophobicContact CD1-CE 4.39Å; L306-M332 HydrophobicContact CD2-CE 3.95Å; L306-M332 HydrophobicContact CG-CE 4.44Å
307E93.8Very high94.8Very high98 Ų9847 Ų4746%0.45823%0.232SC..THydrogen-bonded Turntrans-61.7-23.8173.9-75.9172.6174.700113.9A303 I305 R327A303-E307 WeakPolarHBondContact O-CG 3.31Å; A303-E307 PolarHBondContact O-N 2.92Å; A303-E307 VanDerWaalsContact O-N 3.09Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.03Å; E307-R327 WeakPolarHBondContact OE1-CB 3.27Å; E307-R327 WeakPolarHBondContact OE1-CD 3.38Å; E307-R327 WeakPolarHBondContact OE1-CG 3.49Å
308K92.4Very high94.8Very high130 Ų13044.5 Ų44.557%0.56522%0.223SC*.THydrogen-bonded Turntrans-90.3-20.2179.2-63.2171.8-171.8168.20112.7I305 L306I305-K308 WeakPolarHBondContact O-CB 3.02Å; I305-K308 PolarHBondContact O-N 2.75Å; L306-K308 PolarHBondContact O-N 3.48Å
309N92.8Very high94.8Very high7 Ų743.7 Ų43.74%0.03722%0.217CC..  trans-90130.6178.1177-80.7000110.1L276 N279 I305 L306 T311 L312 N335L276-N309 PolarHBondContact O-ND2 3.34Å; N279-N309 PolarHBondContact O-ND2 2.97Å; I305-N309 PolarHBondContact O-N 3.35Å; L306-N309 PolarHBondContact O-N 3.38Å; L306-N309 VanDerWaalsContact O-O 3.14Å; N309-T311 PolarHBondContact ND2-OG1 3.02Å; N309-T311 VanDerWaalsContact ND2-OG1 3.1Å; N309-T311 PolarHBondContact OD1-N 3.49Å; N309-T311 PolarHBondContact OD1-OG1 3.43Å; N309-L312 WeakPolarHBondContact OD1-CB 3.33Å; N309-L312 PolarHBondContact OD1-N 3.05Å; N309-N335 PolarHBondContact O-ND2 2.96Å; N309-N335 PolarHBondContact O-OD1 3Å
310T90.6Very high94.6Very high75 Ų7547 Ų4746%0.4624%0.237SC..SBendtrans-108.21.1-178.353.90000114.2N335T310-N335 WeakPolarHBondContact CA-OD1 3.38Å
311T91.9Very high94.6Very high25 Ų2546.4 Ų46.415%0.15323%0.233CC..SBendtrans-106.1-31.5-171.661.80000113.3N279 T280 N309 L313N279-T311 PolarHBondContact O-OG1 3.36Å; T280-T311 HydrophobicContact CG2-CG2 4.13Å; N309-T311 PolarHBondContact ND2-OG1 3.02Å; N309-T311 VanDerWaalsContact ND2-OG1 3.1Å; N309-T311 PolarHBondContact OD1-N 3.49Å; N309-T311 PolarHBondContact OD1-OG1 3.43Å; T311-L313 PolarHBondContact O-N 2.97Å
312L94.9Very high94.5Very high0 Ų049.7 Ų49.70%025%0.249CC..  trans-69.5127.1-179.2-166.776.7000110L276 L282 I285 L306 N309 F315 M332 N335L276-L312 HydrophobicContact CD1-CD2 4.26Å; L282-L312 HydrophobicContact CD2-CD1 4.48Å; I285-L312 HydrophobicContact CB-CD1 4.32Å; I285-L312 HydrophobicContact CG2-CD1 3.95Å; I285-L312 HydrophobicContact CG2-CD2 3.82Å; L306-L312 HydrophobicContact CD2-CD2 3.71Å; N309-L312 WeakPolarHBondContact OD1-CB 3.33Å; N309-L312 PolarHBondContact OD1-N 3.05Å; L312-F315 HydrophobicContact CD2-CB 4.17Å; L312-F315 HydrophobicContact CD2-CD2 4Å; L312-M332 HydrophobicContact CB-CE 4.35Å; L312-M332 HydrophobicContact CB-SD 4.47Å; L312-M332 HydrophobicContact CD2-CE 3.88Å; L312-M332 HydrophobicContact CD2-SD 4.06Å; L312-M332 HydrophobicContact CG-CE 4.37Å; L312-M332 HydrophobicContact CG-SD 4.17Å; L312-N335 VanDerWaalsContact O-CB 3.24Å; L312-N335 WeakPolarHBondContact O-CB 3.44Å; L312-N335 PolarHBondContact O-ND2 3.17Å
313L94.9Very high94.5Very high26 Ų2651.6 Ų51.614%0.13627%0.268CS..  trans-105-29.2-177.3-58.9-178.1000112.5L283 T311 N335 N336 A339L283-L313 HydrophobicContact CD2-CD1 4.27Å; L283-L313 HydrophobicContact CD2-CG 4.37Å; L283-L313 PolarHBondContact O-N 2.93Å; T311-L313 PolarHBondContact O-N 2.97Å; L313-N335 HydrophobicContact CD2-CB 4.08Å; L313-N336 PolarHBondContact O-ND2 3.34Å; L313-A339 HydrophobicContact CD2-CB 4.27Å
314K96.3Very high94.5Very high127 Ų12751.7 Ų51.755%0.55227%0.269SS*.EExtended strand (participates in β ladder)trans-132.7123.4-177.7-64.7-177.8-175.4177.90110.2L283 E284 I285L283-K314 PolarHBondContact O-N 3.3Å; E284-K314 WeakPolarHBondContact CA-O 3.19Å; E284-K314 HydrophobicContact CB-CB 4.11Å; E284-K314 HydrophobicContact CG-CB 3.9Å; E284-K314 HydrophobicContact CG-CD 4.35Å; I285-K314 PolarHBondContact N-O 3.49Å; I285-K314 VanDerWaalsContact N-O 3.08Å
315F97.1Very high94.6Very high30 Ų3054.9 Ų54.913%0.13228%0.275CS..EExtended strand (participates in β ladder)trans-118.6105.5174-173.3-109.9000109.4I273 I285 I287 I302 L306 L312 Y317 F319 M332I273-F315 HydrophobicContact CD1-CE2 3.59Å; I273-F315 HydrophobicContact CD1-CZ 4.24Å; I273-F315 HydrophobicContact CG1-CE2 4.47Å; I285-F315 HydrophobicContact CG2-CD2 3.49Å; I285-F315 VanDerWaalsContact CG2-CD2 3.49Å; I285-F315 HydrophobicContact CG2-CE2 3.88Å; I287-F315 HydrophobicContact CD1-CE1 4.48Å; I287-F315 HydrophobicContact CD1-CE2 3.98Å; I287-F315 HydrophobicContact CD1-CZ 3.56Å; I287-F315 HydrophobicContact CG1-CE2 4.34Å; I287-F315 HydrophobicContact CG1-CZ 4.17Å; I302-F315 HydrophobicContact CG2-CE1 3.92Å; I302-F315 HydrophobicContact CG2-CE2 4.48Å; I302-F315 HydrophobicContact CG2-CZ 3.6Å; L306-F315 HydrophobicContact CD1-CD1 3.74Å; L306-F315 HydrophobicContact CD1-CD2 4.15Å; L306-F315 HydrophobicContact CD1-CE1 3.85Å; L306-F315 HydrophobicContact CD1-CE2 4.3Å; L306-F315 HydrophobicContact CD1-CG 3.88Å; L306-F315 HydrophobicContact CD1-CZ 4.14Å; L306-F315 HydrophobicContact CD2-CD2 4.05Å; L306-F315 HydrophobicContact CD2-CE2 4.33Å; L306-F315 HydrophobicContact CD2-CG 4.43Å; L312-F315 HydrophobicContact CD2-CB 4.17Å; L312-F315 HydrophobicContact CD2-CD2 4Å; F315-Y317 VanDerWaalsContact CE1-CB 3.41Å; F315-Y317 HydrophobicContact CE1-CD1 4.07Å; F315-Y317 HydrophobicContact CE1-CG 4.11Å; F315-Y317 PolarHBondContact O-N 3.09Å; F315-F319 AromaticContact CD1-CE2 3.78Å; F315-F319 HydrophobicContact CD1-CE2 3.78Å; F315-F319 AromaticContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CE1-CE1 4.44Å; F315-F319 AromaticContact CE1-CE2 3.68Å; F315-F319 HydrophobicContact CE1-CE2 3.68Å; F315-F319 AromaticContact CE1-CZ 3.49Å; F315-F319 HydrophobicContact CE1-CZ 3.49Å; F315-F319 VanDerWaalsContact CE1-CZ 3.49Å; F315-M332 HydrophobicContact CB-CE 4.28Å; F315-M332 HydrophobicContact CB-CG 4.13Å; F315-M332 HydrophobicContact CB-SD 3.81Å
316G95.7Very high94.6Very high20 Ų2059.7 Ų59.721%0.20630%0.301CS..EExtended strand (participates in β ladder)trans-8688.3179.600000111.1I285 I287 D288I285-G316 PolarHBondContact O-N 3.06Å; I287-G316 WeakPolarHBondContact CG1-O 2.83Å; I287-G316 PolarHBondContact N-O 2.85Å; D288-G316 PolarHBondContact N-O 3.31Å
317Y96.4Very high94.7Very high30 Ų3063.1 Ų63.112%0.11831%0.313CS..  trans-158.6133.5172178.7-112.4000110.8I287 L294 E299 F315 F319I287-Y317 HydrophobicContact CD1-CD2 4.09Å; I287-Y317 HydrophobicContact CD1-CG 4.08Å; I287-Y317 HydrophobicContact CG1-CD2 4.11Å; I287-Y317 HydrophobicContact CG1-CG 4.21Å; L294-Y317 HydrophobicContact CD1-CD2 4.04Å; L294-Y317 HydrophobicContact CD1-CE1 4.14Å; L294-Y317 HydrophobicContact CD1-CE2 3.4Å; L294-Y317 VanDerWaalsContact CD1-CZ 3.48Å; L294-Y317 HydrophobicContact CG-CE2 3.78Å; E299-Y317 HydrophobicContact CG-CE1 3.92Å; E299-Y317 PolarHBondContact OE1-OH 3.35Å; F315-Y317 VanDerWaalsContact CE1-CB 3.41Å; F315-Y317 HydrophobicContact CE1-CD1 4.07Å; F315-Y317 HydrophobicContact CE1-CG 4.11Å; F315-Y317 PolarHBondContact O-N 3.09Å; Y317-F319 AromaticContact CD1-CD1 3.86Å; Y317-F319 HydrophobicContact CD1-CD1 3.86Å; Y317-F319 HydrophobicContact CD1-CD2 4.01Å; Y317-F319 HydrophobicContact CD1-CE1 4.01Å; Y317-F319 HydrophobicContact CD1-CE2 4.16Å; Y317-F319 AromaticContact CD1-CG 3.87Å; Y317-F319 HydrophobicContact CD1-CG 3.87Å; Y317-F319 HydrophobicContact CD1-CZ 4.17Å; Y317-F319 HydrophobicContact CE1-CB 4.37Å; Y317-F319 AromaticContact CE1-CD1 3.78Å; Y317-F319 HydrophobicContact CE1-CD1 3.78Å; Y317-F319 HydrophobicContact CE1-CE1 4.21Å; Y317-F319 HydrophobicContact CE1-CG 4Å; Y317-F319 PolarHBondContact O-N 3.22Å
318H94.8Very high94.8Very high113 Ų11358.6 Ų58.652%0.52329%0.293SS..  trans-83.899.7170.1-172.479.8000111.8D288 T320 R325D288-H318 PolarHBondContact OD2-N 3.36Å; H318-T320 PolarHBondContact O-N 3.34Å; H318-R325 PolarHBondContact NE2-NH2 3Å
319F94Very high94.9Very high11 Ų1155.9 Ų55.95%0.04829%0.29CS..  trans-63.4125.8172.7-70.4-85.8000111.9E299 I302 L306 F315 Y317 P324 R325E299-F319 HydrophobicContact CB-CD1 4.09Å; E299-F319 HydrophobicContact CB-CE1 4.46Å; E299-F319 HydrophobicContact CG-CD1 4.17Å; I302-F319 HydrophobicContact CB-CE1 4.47Å; I302-F319 HydrophobicContact CG2-CE1 4Å; I302-F319 HydrophobicContact CG2-CZ 3.94Å; L306-F319 HydrophobicContact CD1-CZ 4.17Å; F315-F319 AromaticContact CD1-CE2 3.78Å; F315-F319 HydrophobicContact CD1-CE2 3.78Å; F315-F319 AromaticContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CD1-CZ 3.97Å; F315-F319 HydrophobicContact CE1-CE1 4.44Å; F315-F319 AromaticContact CE1-CE2 3.68Å; F315-F319 HydrophobicContact CE1-CE2 3.68Å; F315-F319 AromaticContact CE1-CZ 3.49Å; F315-F319 HydrophobicContact CE1-CZ 3.49Å; F315-F319 VanDerWaalsContact CE1-CZ 3.49Å; Y317-F319 AromaticContact CD1-CD1 3.86Å; Y317-F319 HydrophobicContact CD1-CD1 3.86Å; Y317-F319 HydrophobicContact CD1-CD2 4.01Å; Y317-F319 HydrophobicContact CD1-CE1 4.01Å; Y317-F319 HydrophobicContact CD1-CE2 4.16Å; Y317-F319 AromaticContact CD1-CG 3.87Å; Y317-F319 HydrophobicContact CD1-CG 3.87Å; Y317-F319 HydrophobicContact CD1-CZ 4.17Å; Y317-F319 HydrophobicContact CE1-CB 4.37Å; Y317-F319 AromaticContact CE1-CD1 3.78Å; Y317-F319 HydrophobicContact CE1-CD1 3.78Å; Y317-F319 HydrophobicContact CE1-CE1 4.21Å; Y317-F319 HydrophobicContact CE1-CG 4Å; Y317-F319 PolarHBondContact O-N 3.22Å; F319-P324 HydrophobicContact CD1-CB 3.54Å; F319-P324 HydrophobicContact CE1-CB 3.89Å; F319-P324 HydrophobicContact CG-CB 4.32Å; F319-R325 HydrophobicContact CB-CB 3.67Å; F319-R325 HydrophobicContact CB-CG 4.12Å; F319-R325 HydrophobicContact CD2-CB 4.47Å; F319-R325 HydrophobicContact CG-CB 4.28Å; F319-R325 VanDerWaalsContact O-CZ 3.26Å; F319-R325 PolarHBondContact O-NE 3.47Å; F319-R325 PolarHBondContact O-NH2 3.46Å
320T93.6Very high95.1Very high69 Ų6958.9 Ų58.942%0.42331%0.307SS..SBendtrans-71.2-38.5174.660.90000111.7E299 H318E299-T320 WeakPolarHBondContact OE1-CB 3.38Å; E299-T320 WeakPolarHBondContact OE1-CG2 3.5Å; E299-T320 PolarHBondContact OE1-N 3.23Å; E299-T320 PolarHBondContact OE1-OG1 2.86Å; E299-T320 PolarHBondContact OE2-N 3.11Å; E299-T320 VanDerWaalsContact OE2-N 3.13Å; E299-T320 PolarHBondContact OE2-OG1 2.93Å; H318-T320 PolarHBondContact O-N 3.34Å
321Q94.4Very high95.3Very high77 Ų7755.6 Ų55.636%0.3629%0.287SS..SBendtrans-89.6134.6-178.5-61.1-57.6-51.400112.3N296 E299 G323 P324 R325N296-Q321 HydrophobicContact CB-CG 4.24Å; N296-Q321 PolarHBondContact OD1-NE2 3.36Å; N296-Q321 VanDerWaalsContact OD1-NE2 3.11Å; E299-Q321 PolarHBondContact OE2-N 2.98Å; Q321-G323 VanDerWaalsContact C-N 3.34Å; Q321-G323 PolarHBondContact O-N 3.29Å; Q321-P324 HydrophobicContact CB-CG 3.92Å; Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.37Å; Q321-R325 PolarHBondContact O-N 3.05Å; Q321-R325 VanDerWaalsContact O-N 3.09Å
322Q93.8Very high95.5Very high161 Ų16155.4 Ų55.475%0.75229%0.285SS*.Hα-helixtrans-62.9-36.8-178.8-65.2-179.513.700113.2R325 L326Q322-R325 WeakPolarHBondContact O-CB 3.38Å; Q322-R325 PolarHBondContact O-N 3.09Å; Q322-L326 PolarHBondContact O-N 3.1Å
323G95.9Very high95.5Very high40 Ų4061.3 Ų61.341%0.41231%0.314SS..Hα-helixtrans-62.2-59-179.200000113.3Q321 R325 L326 R327Q321-G323 VanDerWaalsContact C-N 3.34Å; Q321-G323 PolarHBondContact O-N 3.29Å; G323-R325 VanDerWaalsContact C-N 3.29Å; G323-R325 PolarHBondContact O-N 3.01Å; G323-L326 PolarHBondContact O-N 2.98Å; G323-R327 WeakPolarHBondContact O-CG 3.47Å; G323-R327 PolarHBondContact O-N 3.36Å; G323-R327 VanDerWaalsContact O-N 3.15Å
324P96.3Very high95.5Very high2 Ų264.8 Ų64.81%0.01333%0.333CS..Hα-helixtrans-54.7-40.4170.2-29.838.1000113.7E299 M300 A303 F319 Q321 L326 R327 G328E299-P324 HydrophobicContact CB-CB 4.19Å; E299-P324 HydrophobicContact CB-CG 4.17Å; M300-P324 HydrophobicContact CG-CG 4.03Å; M300-P324 HydrophobicContact SD-CG 3.44Å; M300-P324 WeakPolarHBondContact SD-CG 3.32Å; A303-P324 HydrophobicContact CB-CB 3.99Å; F319-P324 HydrophobicContact CD1-CB 3.54Å; F319-P324 HydrophobicContact CE1-CB 3.89Å; F319-P324 HydrophobicContact CG-CB 4.32Å; Q321-P324 HydrophobicContact CB-CG 3.92Å; P324-L326 PolarHBondContact O-N 3.04Å; P324-R327 PolarHBondContact O-N 3.05Å; P324-G328 PolarHBondContact O-N 3.23Å
325R96.6Very high95.3Very high103 Ų10359.1 Ų59.139%0.38931%0.308SS..Hα-helixtrans-57-51.1178.8-169.9-174.8-64.4-173.2-2.3112.1H318 F319 Q321 Q322 G323 S329H318-R325 PolarHBondContact NE2-NH2 3Å; F319-R325 HydrophobicContact CB-CB 3.67Å; F319-R325 HydrophobicContact CB-CG 4.12Å; F319-R325 HydrophobicContact CD2-CB 4.47Å; F319-R325 HydrophobicContact CG-CB 4.28Å; F319-R325 VanDerWaalsContact O-CZ 3.26Å; F319-R325 PolarHBondContact O-NE 3.47Å; F319-R325 PolarHBondContact O-NH2 3.46Å; Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.37Å; Q321-R325 PolarHBondContact O-N 3.05Å; Q321-R325 VanDerWaalsContact O-N 3.09Å; Q322-R325 WeakPolarHBondContact O-CB 3.38Å; Q322-R325 PolarHBondContact O-N 3.09Å; G323-R325 VanDerWaalsContact C-N 3.29Å; G323-R325 PolarHBondContact O-N 3.01Å; R325-S329 WeakPolarHBondContact O-CB 3.35Å; R325-S329 PolarHBondContact O-N 2.77Å
326L96.3Very high95.2Very high109 Ų10961.1 Ų61.157%0.57132%0.32SS*.Hα-helixtrans-65.4-42.4179.8-177.161.5000111.3Q322 G323 P324 S329 N330Q322-L326 PolarHBondContact O-N 3.1Å; G323-L326 PolarHBondContact O-N 2.98Å; P324-L326 PolarHBondContact O-N 3.04Å; L326-S329 PolarHBondContact O-N 3.18Å; L326-N330 WeakPolarHBondContact O-CB 3.41Å; L326-N330 PolarHBondContact O-N 3.41Å; L326-N330 PolarHBondContact O-ND2 3.33Å; L326-N330 PolarHBondContact O-OD1 3.02Å
327R96.3Very high95Very high72 Ų7263.1 Ų63.127%0.27233%0.326SS..Hα-helixtrans-64.1-46.2178.7-73.4-173.2-68.2156.90.1112.6M300 A303 E307 G323 P324 N330 A331M300-R327 PolarHBondContact SD-NH2 3.39Å; A303-R327 HydrophobicContact CB-CB 4.16Å; E307-R327 WeakPolarHBondContact OE1-CB 3.27Å; E307-R327 WeakPolarHBondContact OE1-CD 3.38Å; E307-R327 WeakPolarHBondContact OE1-CG 3.49Å; G323-R327 WeakPolarHBondContact O-CG 3.47Å; G323-R327 PolarHBondContact O-N 3.36Å; G323-R327 VanDerWaalsContact O-N 3.15Å; P324-R327 PolarHBondContact O-N 3.05Å; R327-N330 PolarHBondContact O-N 2.88Å; R327-A331 WeakPolarHBondContact O-CB 3.43Å; R327-A331 PolarHBondContact O-N 2.92Å
328G95.2Very high94.7Very high3 Ų363.3 Ų63.33%0.03133%0.329CS..Hα-helixtrans-60.8-43.8173.900000112.2P324 N330 A331 M332P324-G328 PolarHBondContact O-N 3.23Å; G328-N330 PolarHBondContact O-N 3.37Å; G328-A331 PolarHBondContact O-N 3.16Å; G328-M332 WeakPolarHBondContact O-CG 3.44Å; G328-M332 PolarHBondContact O-N 3.15Å
329S96.1Very high94.3Very high73 Ų7358.3 Ų58.351%0.5131%0.307SS..Hα-helixtrans-60.4-44.9175.5-172.60000112.1R325 L326 M332 M333R325-S329 WeakPolarHBondContact O-CB 3.35Å; R325-S329 PolarHBondContact O-N 2.77Å; L326-S329 PolarHBondContact O-N 3.18Å; S329-M332 PolarHBondContact O-N 3.32Å; S329-M333 WeakPolarHBondContact O-CB 3.49Å; S329-M333 PolarHBondContact O-N 3.46Å
330N95.9Very high94Very high71 Ų7164.2 Ų64.238%0.3833%0.329SS..Hα-helixtrans-65.6-39.2178.1-70.6-11.5000111.8L326 R327 G328 M333 N334L326-N330 WeakPolarHBondContact O-CB 3.41Å; L326-N330 PolarHBondContact O-N 3.41Å; L326-N330 PolarHBondContact O-ND2 3.33Å; L326-N330 PolarHBondContact O-OD1 3.02Å; R327-N330 PolarHBondContact O-N 2.88Å; G328-N330 PolarHBondContact O-N 3.37Å; N330-M333 PolarHBondContact O-N 3.03Å; N330-N334 WeakPolarHBondContact O-CB 3.31Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 2.95Å
331A95.1Very high93.6Very high6 Ų663 Ų635%0.0532%0.322CS..Hα-helixtrans-60.4-48.317500000111.5L306 R327 G328 M333 N334 N335L306-A331 HydrophobicContact CB-CB 4.38Å; R327-A331 WeakPolarHBondContact O-CB 3.43Å; R327-A331 PolarHBondContact O-N 2.92Å; G328-A331 PolarHBondContact O-N 3.16Å; A331-M333 VanDerWaalsContact C-N 3.33Å; A331-M333 PolarHBondContact O-N 3.28Å; A331-N334 PolarHBondContact O-N 3.29Å; A331-N335 VanDerWaalsContact O-CG 3.26Å; A331-N335 PolarHBondContact O-N 3.12Å; A331-N335 PolarHBondContact O-OD1 3.49Å
332M95.3Very high92.9Very high20 Ų2061.7 Ų61.710%0.09932%0.319CS..Hα-helixtrans-64.1-38.4176.6-63.3-55.810900112.2L306 L312 F315 G328 S329 N335 N336L306-M332 HydrophobicContact CB-CE 4.29Å; L306-M332 HydrophobicContact CD1-CE 4.39Å; L306-M332 HydrophobicContact CD2-CE 3.95Å; L306-M332 HydrophobicContact CG-CE 4.44Å; L312-M332 HydrophobicContact CB-CE 4.35Å; L312-M332 HydrophobicContact CB-SD 4.47Å; L312-M332 HydrophobicContact CD2-CE 3.88Å; L312-M332 HydrophobicContact CD2-SD 4.06Å; L312-M332 HydrophobicContact CG-CE 4.37Å; L312-M332 HydrophobicContact CG-SD 4.17Å; F315-M332 HydrophobicContact CB-CE 4.28Å; F315-M332 HydrophobicContact CB-CG 4.13Å; F315-M332 HydrophobicContact CB-SD 3.81Å; G328-M332 WeakPolarHBondContact O-CG 3.44Å; G328-M332 PolarHBondContact O-N 3.15Å; S329-M332 PolarHBondContact O-N 3.32Å; M332-N335 PolarHBondContact O-N 3.49Å; M332-N336 PolarHBondContact O-N 3.26Å; M332-N336 PolarHBondContact O-ND2 3.46Å
333M95.3Very high92.2Very high124 Ų12460.5 Ų60.561%0.61131%0.307SS*.Hα-helixtrans-61.9-47.5176.1-175.8176.3177.800111.2S329 N330 A331 N335 N336 D337S329-M333 WeakPolarHBondContact O-CB 3.49Å; S329-M333 PolarHBondContact O-N 3.46Å; N330-M333 PolarHBondContact O-N 3.03Å; A331-M333 VanDerWaalsContact C-N 3.33Å; A331-M333 PolarHBondContact O-N 3.28Å; M333-N335 VanDerWaalsContact C-N 3.32Å; M333-N335 PolarHBondContact O-N 2.86Å; M333-N336 PolarHBondContact O-N 2.91Å; M333-D337 WeakPolarHBondContact O-CB 3.28Å; M333-D337 PolarHBondContact O-N 3.5Å
334N94.3Very high91.1Very high100 Ų10062.9 Ų62.954%0.53532%0.318SS..Hα-helixtrans-60.2-40.7177.4-69.5-20000112N330 A331 D337 L338N330-N334 WeakPolarHBondContact O-CB 3.31Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 2.95Å; A331-N334 PolarHBondContact O-N 3.29Å; N334-D337 WeakPolarHBondContact O-CB 3.41Å; N334-D337 PolarHBondContact O-N 2.93Å; N334-L338 WeakPolarHBondContact O-CB 3.28Å; N334-L338 WeakPolarHBondContact O-CG 3.27Å; N334-L338 PolarHBondContact O-N 3.24Å
335N94Very high89.9Confident7 Ų769.3 Ų69.34%0.03735%0.348CS..Hα-helixtrans-69.7-37.8179.2-65.8-2.3000112.2N309 T310 L312 L313 A331 M332 M333 L338 A339N309-N335 PolarHBondContact O-ND2 2.96Å; N309-N335 PolarHBondContact O-OD1 3Å; T310-N335 WeakPolarHBondContact CA-OD1 3.38Å; L312-N335 VanDerWaalsContact O-CB 3.24Å; L312-N335 WeakPolarHBondContact O-CB 3.44Å; L312-N335 PolarHBondContact O-ND2 3.17Å; L313-N335 HydrophobicContact CD2-CB 4.08Å; A331-N335 VanDerWaalsContact O-CG 3.26Å; A331-N335 PolarHBondContact O-N 3.12Å; A331-N335 PolarHBondContact O-OD1 3.49Å; M332-N335 PolarHBondContact O-N 3.49Å; M333-N335 VanDerWaalsContact C-N 3.32Å; M333-N335 PolarHBondContact O-N 2.86Å; N335-L338 WeakPolarHBondContact O-CB 3.4Å; N335-L338 PolarHBondContact O-N 3.05Å; N335-A339 PolarHBondContact O-N 3.4Å
336N93.9Very high87.9Confident73 Ų7366.2 Ų66.239%0.3934%0.342SS..Hα-helixtrans-68.1-35.8172.4-81.1-78.5000112.2L313 M332 M333 A339 R340L313-N336 PolarHBondContact O-ND2 3.34Å; M332-N336 PolarHBondContact O-N 3.26Å; M332-N336 PolarHBondContact O-ND2 3.46Å; M333-N336 PolarHBondContact O-N 2.91Å; N336-A339 PolarHBondContact O-N 2.91Å; N336-R340 PolarHBondContact O-N 3.34Å
337D91.8Very high85.6Confident62 Ų6269.3 Ų69.333%0.33236%0.359SS..Hα-helixtrans-61.8-46.5174.3-152.677.2000111M333 N334 A339 R340 V341M333-D337 WeakPolarHBondContact O-CB 3.28Å; M333-D337 PolarHBondContact O-N 3.5Å; N334-D337 WeakPolarHBondContact O-CB 3.41Å; N334-D337 PolarHBondContact O-N 2.93Å; D337-A339 PolarHBondContact O-N 3.17Å; D337-R340 WeakPolarHBondContact O-CA 3.45Å; D337-R340 WeakPolarHBondContact O-CB 3.21Å; D337-R340 PolarHBondContact O-N 2.92Å; D337-R340 IonicContact OD1-CZ 3.84Å; D337-R340 IonicContact OD1-NH1 2.93Å; D337-R340 PolarHBondContact OD1-NH1 3Å; D337-R340 IonicContact OD1-NH2 3.9Å; D337-R340 PolarHBondContact OD1-NH2 2.72Å; D337-R340 IonicContact OD2-CZ 3.87Å; D337-R340 IonicContact OD2-NH2 2.71Å; D337-R340 PolarHBondContact OD2-NH2 3.4Å; D337-V341 WeakPolarHBondContact O-CG2 3.42Å; D337-V341 PolarHBondContact O-N 2.75Å
338L89.3Confident83.3Confident34 Ų3469.5 Ų69.518%0.17838%0.384CS..Hα-helixtrans-53.4-52.7171.5-86.9172.8000112N334 N335 R340 V341 V342 F363N334-L338 WeakPolarHBondContact O-CB 3.28Å; N334-L338 WeakPolarHBondContact O-CG 3.27Å; N334-L338 PolarHBondContact O-N 3.24Å; N335-L338 WeakPolarHBondContact O-CB 3.4Å; N335-L338 PolarHBondContact O-N 3.05Å; L338-R340 PolarHBondContact O-N 3.1Å; L338-V341 PolarHBondContact O-N 3.16Å; L338-V342 VanDerWaalsContact O-CG2 3.26Å; L338-V342 WeakPolarHBondContact O-CG2 3.5Å; L338-V342 PolarHBondContact O-N 3.49Å; L338-F363 HydrophobicContact CD1-CZ 4.4Å; L338-F363 HydrophobicContact CD2-CE1 4.44Å; L338-F363 HydrophobicContact CD2-CE2 3.46Å; L338-F363 VanDerWaalsContact CD2-CE2 3.46Å; L338-F363 HydrophobicContact CD2-CZ 3.23Å; L338-F363 HydrophobicContact CG-CZ 4.07Å
339A86.7Confident80.7Confident7 Ų774.1 Ų74.16%0.05842%0.416CS..Hα-helixtrans-60-31.2177.700000112.6L313 N335 N336 D337 R343 F352L313-A339 HydrophobicContact CD2-CB 4.27Å; N335-A339 PolarHBondContact O-N 3.4Å; N336-A339 PolarHBondContact O-N 2.91Å; D337-A339 PolarHBondContact O-N 3.17Å; A339-R343 WeakPolarHBondContact O-CD 3.29Å; A339-R343 VanDerWaalsContact O-CG 3.24Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.93Å; A339-F352 HydrophobicContact CB-CZ 4.2Å
340R88.4Confident78.3Confident135 Ų13577.3 Ų77.351%0.50942%0.42SS..Hα-helixtrans-70.5-47.5174.1-173.4-169.268.6-121-8.8111.9N336 D337 L338 V342 R343 S344N336-R340 PolarHBondContact O-N 3.34Å; D337-R340 WeakPolarHBondContact O-CA 3.45Å; D337-R340 WeakPolarHBondContact O-CB 3.21Å; D337-R340 PolarHBondContact O-N 2.92Å; D337-R340 IonicContact OD1-CZ 3.84Å; D337-R340 IonicContact OD1-NH1 2.93Å; D337-R340 PolarHBondContact OD1-NH1 3Å; D337-R340 IonicContact OD1-NH2 3.9Å; D337-R340 PolarHBondContact OD1-NH2 2.72Å; D337-R340 IonicContact OD2-CZ 3.87Å; D337-R340 IonicContact OD2-NH2 2.71Å; D337-R340 PolarHBondContact OD2-NH2 3.4Å; L338-R340 PolarHBondContact O-N 3.1Å; R340-V342 VanDerWaalsContact C-N 3.28Å; R340-V342 PolarHBondContact O-N 3.05Å; R340-R343 WeakPolarHBondContact O-CB 3.35Å; R340-R343 PolarHBondContact O-N 3.42Å; R340-R343 VanDerWaalsContact O-N 3.13Å; R340-S344 PolarHBondContact O-N 3.31Å; R340-S344 PolarHBondContact O-OG 2.94Å
341V85.2Confident75.5Confident45 Ų4579.9 Ų79.927%0.27344%0.439SS..Hα-helixtrans-58.4-44.4180172.60000110.5D337 L338 R343 S344 E345D337-V341 WeakPolarHBondContact O-CG2 3.42Å; D337-V341 PolarHBondContact O-N 2.75Å; L338-V341 PolarHBondContact O-N 3.16Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 3.36Å; V341-S344 WeakPolarHBondContact CA-OG 3.45Å; V341-S344 PolarHBondContact O-N 3.28Å; V341-S344 VanDerWaalsContact O-N 3.08Å; V341-S344 PolarHBondContact O-OG 3.02Å; V341-E345 HydrophobicContact CG1-CG 4.45Å; V341-E345 PolarHBondContact O-N 3.28Å
342V78.6Confident73.2Confident48 Ų4884.9 Ų84.929%0.29146%0.46SS..Hα-helixtrans-58.6-43.4176.9176.40000111.5L338 R340 S344 E345 S346 L354L338-V342 VanDerWaalsContact O-CG2 3.26Å; L338-V342 WeakPolarHBondContact O-CG2 3.5Å; L338-V342 PolarHBondContact O-N 3.49Å; R340-V342 VanDerWaalsContact C-N 3.28Å; R340-V342 PolarHBondContact O-N 3.05Å; V342-S344 VanDerWaalsContact C-N 3.31Å; V342-S344 PolarHBondContact O-N 2.77Å; V342-E345 PolarHBondContact O-N 3.39Å; V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.5Å; V342-S346 PolarHBondContact O-OG 3.09Å; V342-L354 HydrophobicContact CG1-CD1 4.39Å; V342-L354 HydrophobicContact CG2-CD1 3.49Å; V342-L354 VanDerWaalsContact CG2-CD1 3.49Å
343R78.9Confident70.9Confident136 Ų13689.3 Ų89.351%0.51349%0.488SS..Hα-helixtrans-64.4-33.6176.8-70168.7-167.4166.45.2113.1A339 R340 V341 S346 F350A339-R343 WeakPolarHBondContact O-CD 3.29Å; A339-R343 VanDerWaalsContact O-CG 3.24Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.93Å; R340-R343 WeakPolarHBondContact O-CB 3.35Å; R340-R343 PolarHBondContact O-N 3.42Å; R340-R343 VanDerWaalsContact O-N 3.13Å; V341-R343 VanDerWaalsContact C-N 3.31Å; V341-R343 PolarHBondContact O-N 3.36Å; R343-S346 PolarHBondContact O-OG 3.49Å; R343-F350 HydrophobicContact CG-CZ 4.12Å
344S74.3Confident68.7Low91 Ų9187.5 Ų87.564%0.63648%0.48SS*.Hα-helixtrans-78.2-26.7178.953.90000113.8R340 V341 V342R340-S344 PolarHBondContact O-N 3.31Å; R340-S344 PolarHBondContact O-OG 2.94Å; V341-S344 WeakPolarHBondContact CA-OG 3.45Å; V341-S344 PolarHBondContact O-N 3.28Å; V341-S344 VanDerWaalsContact O-N 3.08Å; V341-S344 PolarHBondContact O-OG 3.02Å; V342-S344 VanDerWaalsContact C-N 3.31Å; V342-S344 PolarHBondContact O-N 2.77Å
345E70.4Confident66.8Low137 Ų13785.4 Ų85.464%0.6447%0.473SS*.Hα-helixtrans-86.7-23.2176.4-68.7-175.3163.900112.5V341 V342 D347V341-E345 HydrophobicContact CG1-CG 4.45Å; V341-E345 PolarHBondContact O-N 3.28Å; V342-E345 PolarHBondContact O-N 3.39Å; E345-D347 PolarHBondContact O-N 3.05Å
346S55.7Low64.9Low38 Ų3889.3 Ų89.327%0.26650%0.497SS..SBendtrans-88102.5174.965.70000111.2V342 R343 G348V342-S346 WeakPolarHBondContact O-CB 3.38Å; V342-S346 PolarHBondContact O-N 3.5Å; V342-S346 PolarHBondContact O-OG 3.09Å; R343-S346 PolarHBondContact O-OG 3.49Å; S346-G348 PolarHBondContact O-N 3.08Å
347D46.6Very low62.9Low173 Ų17389.6 Ų89.693%0.92550%0.503SS*.SBendtrans-6571.2165.6-87.1-25.7000111.1E345 S349E345-D347 PolarHBondContact O-N 3.05Å; D347-S349 PolarHBondContact O-N 2.87Å
348G48.4Very low61.3Low77 Ų7790.4 Ų90.479%0.79451%0.505SS*.SBendtrans80.29.3161.900000118.7S346S346-G348 PolarHBondContact O-N 3.08Å
349S40.9Very low59.7Low100 Ų10090.8 Ų90.870%0.69951%0.507SS*.  trans-122.4113.9173.982.80000112.6D347D347-S349 PolarHBondContact O-N 2.87Å
350F44.3Very low58.5Low140 Ų14093.2 Ų93.261%0.61452%0.517SS*.  trans-93.2131.4-174.9-101.8-94.3000112.7R343 F352R343-F350 HydrophobicContact CG-CZ 4.12Å; F350-F352 HydrophobicContact CD1-CD2 4.35Å; F350-F352 HydrophobicContact CE1-CD2 4.16Å; F350-F352 HydrophobicContact CE1-CE2 4.27Å
351T38.9Very low57Low125 Ų12596.4 Ų96.477%0.76753%0.529SS*.  trans-149.3129.6138.734.90000109.4T353T351-T353 VanDerWaalsContact C-N 3.3Å; T351-T353 PolarHBondContact O-N 3.28Å; T351-T353 VanDerWaalsContact O-N 3.07Å
352F45Very low55.6Low111 Ų11197 Ų9749%0.48754%0.539SS..  trans-85.165-174.6-128.2-88.7000110.4A339 F350A339-F352 HydrophobicContact CB-CZ 4.2Å; F350-F352 HydrophobicContact CD1-CD2 4.35Å; F350-F352 HydrophobicContact CE1-CD2 4.16Å; F350-F352 HydrophobicContact CE1-CE2 4.27Å
353T47.2Very low54.5Low112 Ų11299.5 Ų99.569%0.68755%0.546SS*.  trans-143.780.217254.10000109T351 S355T351-T353 VanDerWaalsContact C-N 3.3Å; T351-T353 PolarHBondContact O-N 3.28Å; T351-T353 VanDerWaalsContact O-N 3.07Å; T353-S355 PolarHBondContact O-N 3Å
354L50.3Low52.9Low86 Ų8696.5 Ų96.545%0.4556%0.557SS.*  trans-75.9120.4171.9-71.8173000109.5V342 E358V342-L354 HydrophobicContact CG1-CD1 4.39Å; V342-L354 HydrophobicContact CG2-CD1 3.49Å; V342-L354 VanDerWaalsContact CG2-CD1 3.49Å; L354-E358 WeakPolarHBondContact CA-OE2 3.47Å; L354-E358 HydrophobicContact CD2-CB 3.79Å; L354-E358 HydrophobicContact CD2-CG 4.4Å
355S54Low51.8Low56 Ų5699.3 Ų99.339%0.39256%0.558SS.*  trans-72.4151.7170.464.40000110.1T353 P357 E358 L359T353-S355 PolarHBondContact O-N 3Å; S355-P357 VanDerWaalsContact O-N 3.12Å; S355-E358 PolarHBondContact N-OE2 3.3Å; S355-E358 WeakPolarHBondContact O-CB 3.49Å; S355-E358 PolarHBondContact O-N 2.98Å; S355-E358 VanDerWaalsContact OG-CD 3.32Å; S355-E358 PolarHBondContact OG-OE2 3.06Å; S355-L359 PolarHBondContact O-N 2.9Å
356V55.3Low50.7Low90 Ų90101.5 Ų101.555%0.54557%0.565SS.*Hα-helixtrans-48.1-38177.7179.30000113.7E358 L359 E360V356-E358 VanDerWaalsContact C-N 3.31Å; V356-E358 PolarHBondContact O-N 3.13Å; V356-L359 PolarHBondContact O-N 2.71Å; V356-E360 WeakPolarHBondContact O-CG 3.33Å; V356-E360 PolarHBondContact O-N 3.27Å
357P50.9Low50.6Low78 Ų78104.8 Ų104.851%0.50658%0.575SS.*Hα-helixtrans-63.3-29.9175.6-2435.2000115.1S355 R361S355-P357 VanDerWaalsContact O-N 3.12Å; P357-R361 PolarHBondContact O-N 2.79Å
358E58.8Low50.4Low80 Ų80105.7 Ų105.737%0.37457%0.571SS.*Hα-helixtrans-76.7-35.3178.6-67.1162.5146.400110.9L354 S355 V356 R361 A362L354-E358 WeakPolarHBondContact CA-OE2 3.47Å; L354-E358 HydrophobicContact CD2-CB 3.79Å; L354-E358 HydrophobicContact CD2-CG 4.4Å; S355-E358 PolarHBondContact N-OE2 3.3Å; S355-E358 WeakPolarHBondContact O-CB 3.49Å; S355-E358 PolarHBondContact O-N 2.98Å; S355-E358 VanDerWaalsContact OG-CD 3.32Å; S355-E358 PolarHBondContact OG-OE2 3.06Å; V356-E358 VanDerWaalsContact C-N 3.31Å; V356-E358 PolarHBondContact O-N 3.13Å; E358-R361 PolarHBondContact O-N 3.09Å; E358-A362 PolarHBondContact O-N 3.3Å; E358-A362 VanDerWaalsContact O-N 3.09Å
359L54.7Low50Low42 Ų42107.5 Ų107.522%0.2257%0.57CS.*Hα-helixtrans-63.9-41.5170.4-75162.9000112.2S355 V356 R361 A362 F363S355-L359 PolarHBondContact O-N 2.9Å; V356-L359 PolarHBondContact O-N 2.71Å; L359-R361 VanDerWaalsContact C-N 3.25Å; L359-R361 PolarHBondContact O-N 2.9Å; L359-A362 PolarHBondContact O-N 3.35Å; L359-F363 HydrophobicContact CD2-CE2 4.22Å; L359-F363 WeakPolarHBondContact O-CD2 3.41Å; L359-F363 PolarHBondContact O-N 3.15Å
360E61.2Low49.9Very low57 Ų57112.3 Ų112.327%0.26658%0.578SS.*Hα-helixtrans-64.2-32.1176.2-71.8-168.7148.900112.6V356 G364 K366 F367V356-E360 WeakPolarHBondContact O-CG 3.33Å; V356-E360 PolarHBondContact O-N 3.27Å; E360-G364 PolarHBondContact O-N 2.94Å; E360-G364 VanDerWaalsContact O-N 3.17Å; E360-K366 WeakPolarHBondContact OE1-CA 3.47Å; E360-F367 HydrophobicContact CG-CB 4.48Å; E360-F367 HydrophobicContact CG-CD2 3.91Å; E360-F367 PolarHBondContact OE1-N 2.85Å
361R56.8Low49.6Very low203 Ų203111.5 Ų111.577%0.76659%0.585SS**Hα-helixtrans-73.8-42.6179-161.6-178.8-68.4153.1-0.4112.1P357 E358 L359P357-R361 PolarHBondContact O-N 2.79Å; E358-R361 PolarHBondContact O-N 3.09Å; L359-R361 VanDerWaalsContact C-N 3.25Å; L359-R361 PolarHBondContact O-N 2.9Å
362A55.5Low49.4Very low57 Ų57118.8 Ų118.847%0.47161%0.606SS.*Hα-helixtrans-67-34.6178.700000113.1E358 L359E358-A362 PolarHBondContact O-N 3.3Å; E358-A362 VanDerWaalsContact O-N 3.09Å; L359-A362 PolarHBondContact O-N 3.35Å
363F57Low49.7Very low100 Ų100119.2 Ų119.244%0.43961%0.612SS.*Hα-helixtrans-99.4-5-175.7-74.4-72.9000115.5L338 L359 K365 F367L338-F363 HydrophobicContact CD1-CZ 4.4Å; L338-F363 HydrophobicContact CD2-CE1 4.44Å; L338-F363 HydrophobicContact CD2-CE2 3.46Å; L338-F363 VanDerWaalsContact CD2-CE2 3.46Å; L338-F363 HydrophobicContact CD2-CZ 3.23Å; L338-F363 HydrophobicContact CG-CZ 4.07Å; L359-F363 HydrophobicContact CD2-CE2 4.22Å; L359-F363 WeakPolarHBondContact O-CD2 3.41Å; L359-F363 PolarHBondContact O-N 3.15Å; F363-K365 PolarHBondContact O-N 3.04Å; F363-F367 HydrophobicContact CB-CE2 4.19Å; F363-F367 HydrophobicContact CB-CZ 4.36Å; F363-F367 HydrophobicContact CD2-CE2 4.16Å; F363-F367 HydrophobicContact CD2-CZ 4.24Å; F363-F367 HydrophobicContact CG-CE2 4.49Å; F363-F367 HydrophobicContact CG-CZ 4.42Å
364G44.6Very low49.8Very low73 Ų73119.6 Ų119.675%0.75361%0.608SS**THydrogen-bonded Turntrans56.819.2-176.500000113.9E360E360-G364 PolarHBondContact O-N 2.94Å; E360-G364 VanDerWaalsContact O-N 3.17Å
365K50.7Low49.8Very low151 Ų151121.4 Ų121.466%0.65762%0.617SS**SBendtrans-126.5129.2-177-77.1179.8-179.3174.20109F363 F367F363-K365 PolarHBondContact O-N 3.04Å; K365-F367 PolarHBondContact O-N 3.18Å
366K48.8Very low49.5Very low183 Ų183125.3 Ų125.380%0.79663%0.63SS**  trans-74.5116.2172-78.7-172.3173.5-176.80110E360 K368E360-K366 WeakPolarHBondContact OE1-CA 3.47Å; K366-K368 PolarHBondContact O-N 3.24Å
367F53.3Low49.1Very low106 Ų106127.5 Ų127.547%0.46564%0.635SS.*  trans-83.1100.6174.1-69.2-79.8000107.7E360 F363 K365 C369E360-F367 HydrophobicContact CG-CB 4.48Å; E360-F367 HydrophobicContact CG-CD2 3.91Å; E360-F367 PolarHBondContact OE1-N 2.85Å; F363-F367 HydrophobicContact CB-CE2 4.19Å; F363-F367 HydrophobicContact CB-CZ 4.36Å; F363-F367 HydrophobicContact CD2-CE2 4.16Å; F363-F367 HydrophobicContact CD2-CZ 4.24Å; F363-F367 HydrophobicContact CG-CE2 4.49Å; F363-F367 HydrophobicContact CG-CZ 4.42Å; K365-F367 PolarHBondContact O-N 3.18Å; F367-C369 PolarHBondContact O-N 2.95Å
368K42.7Very low49Very low193 Ų193130.8 Ų130.884%0.83964%0.644SS**  trans-64.9106.9177.1-79.9-174.5176.5179.10109.9K366 K370K366-K368 PolarHBondContact O-N 3.24Å; K368-K370 PolarHBondContact O-N 2.93Å; K368-K370 VanDerWaalsContact O-N 3.12Å
369C39Very low48.3Very low114 Ų114134.4 Ų134.477%0.7766%0.663SS**  trans-62.9110.1163.7-159.60000108F367 T371F367-C369 PolarHBondContact O-N 2.95Å; C369-T371 PolarHBondContact O-N 3.08Å
370K38.8Very low47.8Very low201 Ų201141.5 Ų141.587%0.87470%0.697SS**  trans-81.989.8170-81.2-174.4177.8177.60107.7K368 K372K368-K370 PolarHBondContact O-N 2.93Å; K368-K370 VanDerWaalsContact O-N 3.12Å; K370-K372 PolarHBondContact O-N 3.34Å
371T38.2Very low46.7Very low123 Ų123148.6 Ų148.676%0.75573%0.733SS**  trans-70.5112.4159.842.20000109C369C369-T371 PolarHBondContact O-N 3.08Å
372K35.3Very low45.8Very low279 Ų279143.6 Ų143.6100%1.21373%0.73SS**  trans-142.50145.5-91.9-162.7176.6-174.80109.1K370K370-K372 PolarHBondContact O-N 3.34Å

Retrieved 372 of 372 residues in 247.9 ms (Link to these results)

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