A0A096LZI5_POEFO Loading...

Tetratricopeptide repeat domain 4

AlphaFold DB , UniProt , Accession A0A096LZI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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
1M32.7Very low45.1Very low242 Ų242136.5 Ų136.5100%1.19278%0.778SS**  0110.80-81.9172.6161.600106.4S3M1-S3 PolarHBondContact O-N 2.59Å
2A33.9Very low46.6Very low102 Ų102135.7 Ų135.784%0.84377%0.77SS**  trans-71.3118.7173.600000107.4T4A2-T4 PolarHBondContact O-N 2.55Å
3S36.2Very low48.3Very low104 Ų104127.7 Ų127.773%0.72774%0.736SS**  trans-70.7118.9172.1-64.40000108.3M1 D5M1-S3 PolarHBondContact O-N 2.59Å; S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 3.29Å; S3-D5 VanDerWaalsContact O-N 3.1Å
4T41.9Very low49.6Very low137 Ų137126.8 Ų126.884%0.8472%0.724SS**  trans-74.383.9166.947.70000108.3A2A2-T4 PolarHBondContact O-N 2.55Å
5D43.4Very low51.2Low139 Ų139125.3 Ų125.374%0.74371%0.713SS**  trans-106.2119.8166-76.2-40000108.2S3 Q7S3-D5 VanDerWaalsContact C-N 3.3Å; S3-D5 PolarHBondContact O-N 3.29Å; S3-D5 VanDerWaalsContact O-N 3.1Å; D5-Q7 PolarHBondContact O-N 3.46Å
6V45.1Very low52.8Low138 Ų138121.1 Ų121.184%0.83670%0.698SS**  trans-58.5116.9175.61760000107.8D8V6-D8 PolarHBondContact O-N 3.17Å; V6-D8 VanDerWaalsContact O-N 3.11Å
7Q48.5Very low54.1Low177 Ų177120.1 Ų120.183%0.82768%0.684SS**  trans-71.6100.6170.4-76.1174.6-30.400107.8D5D5-Q7 PolarHBondContact O-N 3.46Å
8D47.7Very low55.3Low122 Ų122119.7 Ų119.765%0.65268%0.677SS**  trans-87.4101.8168.3-168.319.9000107.2V6 S10V6-D8 PolarHBondContact O-N 3.17Å; V6-D8 VanDerWaalsContact O-N 3.11Å; D8-S10 PolarHBondContact O-N 3.38Å
9D52.2Low56.6Low159 Ų159117.8 Ų117.885%0.8567%0.665SS**  trans-73.735.2-176.3-72.4-32.7000112.9
10S54.8Low57.6Low47 Ų47117.8 Ų117.833%0.32966%0.657SS.*  trans-95.4138176-176.10000110.7D8 D12 G13 M14D8-S10 PolarHBondContact O-N 3.38Å; S10-D12 PolarHBondContact O-N 2.89Å; S10-G13 WeakPolarHBondContact O-CA 2.95Å; S10-G13 PolarHBondContact O-N 3.16Å; S10-M14 PolarHBondContact O-N 3.04Å
11D59.3Low58.3Low134 Ų134118.4 Ų118.472%0.71765%0.653SS**Hα-helixtrans-56.4-33-178.6-142.414.2000111.9G13 M14 D15D11-G13 VanDerWaalsContact C-N 3.29Å; D11-G13 PolarHBondContact O-N 3.33Å; D11-M14 PolarHBondContact O-N 3.31Å; D11-D15 PolarHBondContact O-N 3.28Å; D11-D15 VanDerWaalsContact O-N 3.16Å
12D63.8Low60.4Low127 Ų127115 Ų11568%0.67963%0.631SS**Hα-helixtrans-64.9-30.4174.4-65.4-36.3000113S10 A16S10-D12 PolarHBondContact O-N 2.89Å; D12-A16 WeakPolarHBondContact O-CB 3.05Å; D12-A16 PolarHBondContact O-N 2.93Å; D12-A16 VanDerWaalsContact O-N 3.13Å
13G69.1Low62.2Low32 Ų32114.8 Ų114.833%0.3362%0.624SS.*Hα-helixtrans-71.8-34.3176.700000112.2S10 D11 F17S10-G13 WeakPolarHBondContact O-CA 2.95Å; S10-G13 PolarHBondContact O-N 3.16Å; D11-G13 VanDerWaalsContact C-N 3.29Å; D11-G13 PolarHBondContact O-N 3.33Å; G13-F17 WeakPolarHBondContact O-CB 3.4Å; G13-F17 PolarHBondContact O-N 2.88Å
14M65.7Low63.8Low115 Ų115115.7 Ų115.757%0.56762%0.617SS**Hα-helixtrans-72.1-41.2176-71.7-69.7-80.800111.5S10 D11 F17 M18S10-M14 PolarHBondContact O-N 3.04Å; D11-M14 PolarHBondContact O-N 3.31Å; M14-F17 WeakPolarHBondContact O-CB 3.44Å; M14-F17 PolarHBondContact O-N 2.86Å; M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 VanDerWaalsContact O-CG 3.26Å; M14-M18 WeakPolarHBondContact O-CG 3.47Å; M14-M18 PolarHBondContact O-N 3.34Å
15D74.4Confident64.8Low105 Ų105120.1 Ų120.156%0.56162%0.618SS**Hα-helixtrans-63.4-43.6175.2-85.8-16.3000112D11 F17 M18 D19D11-D15 PolarHBondContact O-N 3.28Å; D11-D15 VanDerWaalsContact O-N 3.16Å; D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 2.85Å; D15-M18 PolarHBondContact O-N 3.08Å; D15-D19 PolarHBondContact O-N 2.65Å
16A76.1Confident65.7Low57 Ų57121.3 Ų121.347%0.47161%0.613SS.*Hα-helixtrans-64.3-31.6174.400000112.8D12D12-A16 WeakPolarHBondContact O-CB 3.05Å; D12-A16 PolarHBondContact O-N 2.93Å; D12-A16 VanDerWaalsContact O-N 3.13Å
17F74.5Confident66.5Low105 Ų105123.1 Ų123.146%0.46161%0.61SS.*Hα-helixtrans-71.4-42.3172.7179.9-105.9000111.8G13 M14 D15 D19 K20 F21G13-F17 WeakPolarHBondContact O-CB 3.4Å; G13-F17 PolarHBondContact O-N 2.88Å; M14-F17 WeakPolarHBondContact O-CB 3.44Å; M14-F17 PolarHBondContact O-N 2.86Å; D15-F17 VanDerWaalsContact C-N 3.28Å; D15-F17 PolarHBondContact O-N 2.85Å; F17-D19 PolarHBondContact O-N 3.33Å; F17-K20 WeakPolarHBondContact O-CB 3.43Å; F17-K20 PolarHBondContact O-N 3.49Å; F17-F21 AromaticContact CD1-CE2 3.84Å; F17-F21 HydrophobicContact CD1-CE2 3.84Å; F17-F21 AromaticContact CE1-CE2 3.44Å; F17-F21 HydrophobicContact CE1-CE2 3.44Å; F17-F21 VanDerWaalsContact CE1-CE2 3.44Å; F17-F21 AromaticContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE2-CE2 4.25Å; F17-F21 HydrophobicContact CE2-CZ 4.48Å; F17-F21 HydrophobicContact CG-CE2 4.41Å; F17-F21 AromaticContact CZ-CE2 3.66Å; F17-F21 HydrophobicContact CZ-CE2 3.66Å; F17-F21 AromaticContact CZ-CZ 3.76Å; F17-F21 HydrophobicContact CZ-CZ 3.76Å; F17-F21 WeakPolarHBondContact O-CD2 3.34Å
18M76.9Confident67.3Low112 Ų112121 Ų12155%0.55260%0.604SS**Hα-helixtrans-66.4-35.8178.6-70.7-65.1-98.400112.5M14 D15 K20 F21M14-M18 WeakPolarHBondContact O-CB 3.39Å; M14-M18 VanDerWaalsContact O-CG 3.26Å; M14-M18 WeakPolarHBondContact O-CG 3.47Å; M14-M18 PolarHBondContact O-N 3.34Å; D15-M18 PolarHBondContact O-N 3.08Å; M18-K20 PolarHBondContact O-N 3.43Å; M18-F21 PolarHBondContact O-N 2.93Å; M18-F21 VanDerWaalsContact O-N 3.1Å
19D79.5Confident68.2Low85 Ų85118 Ų11846%0.45560%0.596SS.*Hα-helixtrans-66.2-23.4175.6-90.9-4.2000113.6D15 F17 F21 K22 S23D15-D19 PolarHBondContact O-N 2.65Å; F17-D19 PolarHBondContact O-N 3.33Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 3.22Å; D19-K22 PolarHBondContact O-N 2.95Å; D19-K22 WeakPolarHBondContact OD1-CD 3.26Å; D19-K22 WeakPolarHBondContact OD1-CE 3.17Å; D19-K22 IonicContact OD1-NZ 3.45Å; D19-K22 PolarHBondContact OD1-NZ 2.86Å; D19-S23 PolarHBondContact O-OG 2.84Å
20K77.1Confident69.1Low116 Ų116114.6 Ų114.650%0.50457%0.574SS.*Hα-helixtrans-63.9-31.9171.6-67.7173.5-177.6174.50111.9F17 M18 K22 S23 Q24F17-K20 WeakPolarHBondContact O-CB 3.43Å; F17-K20 PolarHBondContact O-N 3.49Å; M18-K20 PolarHBondContact O-N 3.43Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 3.42Å; K20-S23 PolarHBondContact O-N 3.43Å; K20-S23 PolarHBondContact O-OG 2.84Å; K20-Q24 WeakPolarHBondContact O-CB 3.31Å; K20-Q24 WeakPolarHBondContact O-CG 3.37Å; K20-Q24 PolarHBondContact O-N 2.84Å
21F72.4Confident70.1Confident131 Ų131116.3 Ų116.358%0.57558%0.583SS**Hα-helixtrans-74.6-20.6177.9-66.4-85.2000113.6F17 M18 D19F17-F21 AromaticContact CD1-CE2 3.84Å; F17-F21 HydrophobicContact CD1-CE2 3.84Å; F17-F21 AromaticContact CE1-CE2 3.44Å; F17-F21 HydrophobicContact CE1-CE2 3.44Å; F17-F21 VanDerWaalsContact CE1-CE2 3.44Å; F17-F21 AromaticContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE1-CZ 3.89Å; F17-F21 HydrophobicContact CE2-CE2 4.25Å; F17-F21 HydrophobicContact CE2-CZ 4.48Å; F17-F21 HydrophobicContact CG-CE2 4.41Å; F17-F21 AromaticContact CZ-CE2 3.66Å; F17-F21 HydrophobicContact CZ-CE2 3.66Å; F17-F21 AromaticContact CZ-CZ 3.76Å; F17-F21 HydrophobicContact CZ-CZ 3.76Å; F17-F21 WeakPolarHBondContact O-CD2 3.34Å; M18-F21 PolarHBondContact O-N 2.93Å; M18-F21 VanDerWaalsContact O-N 3.1Å; D19-F21 VanDerWaalsContact C-N 3.27Å; D19-F21 PolarHBondContact O-N 3.22Å
22K75.9Confident71Confident170 Ų170116.9 Ų116.974%0.73959%0.586SS**Hα-helixtrans-76.2-29.3175.2-63.2177.7-171.6158.70112.3D19 K20D19-K22 PolarHBondContact O-N 2.95Å; D19-K22 WeakPolarHBondContact OD1-CD 3.26Å; D19-K22 WeakPolarHBondContact OD1-CE 3.17Å; D19-K22 IonicContact OD1-NZ 3.45Å; D19-K22 PolarHBondContact OD1-NZ 2.86Å; K20-K22 VanDerWaalsContact C-N 3.33Å; K20-K22 PolarHBondContact O-N 3.42Å
23S72.6Confident71.7Confident98 Ų98118.6 Ų118.669%0.68560%0.595SS**Hα-helixtrans-101.9-28.1-174.855.50000113.6D19 K20D19-S23 PolarHBondContact O-OG 2.84Å; K20-S23 PolarHBondContact O-N 3.43Å; K20-S23 PolarHBondContact O-OG 2.84Å
24Q69.6Low72.1Confident123 Ų123119.5 Ų119.558%0.57559%0.592SS**SBendtrans-97.4123180-61.1-172.5-3.400111.6K20K20-Q24 WeakPolarHBondContact O-CB 3.31Å; K20-Q24 WeakPolarHBondContact O-CG 3.37Å; K20-Q24 PolarHBondContact O-N 2.84Å
25R62.8Low72.9Confident231 Ų231119.9 Ų119.987%0.87259%0.587SS**  trans-69.7137.6172.8-148.7174.3179152.4-0.5109.5K27R25-K27 WeakPolarHBondContact O-CG 3.13Å; R25-K27 PolarHBondContact O-N 3.02Å
26Y61.6Low73.3Confident164 Ų164119.1 Ų119.164%0.64358%0.58SS**  trans-56.1108.3179.6-170.9-113000110.5N28 A29Y26-N28 WeakPolarHBondContact CE1-O 3.19Å; Y26-A29 HydrophobicContact CD1-CB 3.79Å; Y26-A29 VanDerWaalsContact CD1-N 3.29Å; Y26-A29 HydrophobicContact CE1-CB 4.28Å; Y26-A29 VanDerWaalsContact CE1-N 3.35Å
27K62.8Low73.6Confident176 Ų176122.5 Ų122.577%0.76559%0.586SS**THydrogen-bonded Turntrans-80.3-23.4-170.2-66.9-174.2179.71750113.8R25R25-K27 WeakPolarHBondContact O-CG 3.13Å; R25-K27 PolarHBondContact O-N 3.02Å
28N64.9Low73.9Confident133 Ų133120.4 Ų120.471%0.71158%0.578SS**THydrogen-bonded Turntrans-110.938.7-177-63.2-10.6000111.4Y26 F30Y26-N28 WeakPolarHBondContact CE1-O 3.19Å; N28-F30 PolarHBondContact O-N 2.82Å
29A65.9Low74.3Confident58 Ų58118.1 Ų118.148%0.47957%0.565SS.*PPolyproline II helixtrans-53.7138.317300000110.6Y26 T31Y26-A29 HydrophobicContact CD1-CB 3.79Å; Y26-A29 VanDerWaalsContact CD1-N 3.29Å; Y26-A29 HydrophobicContact CE1-CB 4.28Å; Y26-A29 VanDerWaalsContact CE1-N 3.35Å; A29-T31 PolarHBondContact O-N 3.17Å; A29-T31 VanDerWaalsContact O-N 3.14Å
30F70.6Confident74.5Confident88 Ų88116.2 Ų116.239%0.38656%0.555SS.*PPolyproline II helixtrans-57.7122.6170.8-56-57.9000108.7N28 W35 E38 F39 I42N28-F30 PolarHBondContact O-N 2.82Å; F30-W35 HydrophobicContact CB-CB 3.61Å; F30-W35 HydrophobicContact CG-CB 4.37Å; F30-E38 HydrophobicContact CD1-CB 3.53Å; F30-E38 HydrophobicContact CD1-CG 4.2Å; F30-E38 HydrophobicContact CE1-CB 3.55Å; F30-E38 HydrophobicContact CE1-CG 4.5Å; F30-F39 HydrophobicContact CE2-CD2 4.16Å; F30-F39 HydrophobicContact CE2-CE2 4.39Å; F30-F39 HydrophobicContact CZ-CD2 4.26Å; F30-I42 HydrophobicContact CZ-CD1 3.87Å
31T76.7Confident74.7Confident83 Ų83115.2 Ų115.251%0.50955%0.55SS.*PPolyproline II helixtrans-85.3145.8174.854.20000109.8A29 N33 N34 W35A29-T31 PolarHBondContact O-N 3.17Å; A29-T31 VanDerWaalsContact O-N 3.14Å; T31-N33 PolarHBondContact O-N 3.08Å; T31-N34 PolarHBondContact O-N 3.36Å; T31-N34 WeakPolarHBondContact OG1-CB 3.2Å; T31-W35 PolarHBondContact O-N 3.43Å
32D77.4Confident75.3Confident146 Ų146111.3 Ų111.378%0.78154%0.535SS*.THydrogen-bonded Turntrans-52.6-22.4-178.2-69.2-10.8000114.9W35D32-W35 PolarHBondContact O-NE1 3.27Å
33N79.3Confident75.7Confident162 Ų162104.9 Ų104.987%0.86651%0.511SS*.THydrogen-bonded Turntrans-95.1-14.2-180-62.8-16.9000114.7T31T31-N33 PolarHBondContact O-N 3.08Å
34N78.1Confident76.3Confident51 Ų51107.7 Ų107.727%0.27352%0.515SS..THydrogen-bonded Turntrans-130.10.2-174.3-16933.4000113.2T31 E36 E37 E38T31-N34 PolarHBondContact O-N 3.36Å; T31-N34 WeakPolarHBondContact OG1-CB 3.2Å; N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 PolarHBondContact O-N 3.36Å; N34-E37 PolarHBondContact O-N 2.96Å; N34-E37 WeakPolarHBondContact OD1-CB 3.45Å; N34-E37 PolarHBondContact OD1-OE2 3.34Å; N34-E38 PolarHBondContact ND2-OE1 2.85Å; N34-E38 VanDerWaalsContact ND2-OE1 3.14Å; N34-E38 WeakPolarHBondContact O-CG 3.3Å; N34-E38 PolarHBondContact O-N 3.08Å
35W82.8Confident77Confident124 Ų124106.3 Ų106.347%0.4751%0.507SS..Hα-helixtrans-60.7-39.8-174.870.4-88.3000112.2F30 T31 D32 E37 E38 F39F30-W35 HydrophobicContact CB-CB 3.61Å; F30-W35 HydrophobicContact CG-CB 4.37Å; T31-W35 PolarHBondContact O-N 3.43Å; D32-W35 PolarHBondContact O-NE1 3.27Å; W35-E37 VanDerWaalsContact C-N 3.35Å; W35-E37 PolarHBondContact O-N 3.39Å; W35-E38 PolarHBondContact O-N 3.38Å; W35-F39 VanDerWaalsContact O-CB 3.25Å; W35-F39 WeakPolarHBondContact O-CB 3.3Å; W35-F39 PolarHBondContact O-N 3.48Å
36E81.9Confident78Confident88 Ų8897.3 Ų97.341%0.41148%0.476SS..Hα-helixtrans-65.8-37.7-176.7-174.2171.7-16500112.1N34 N40 K47N34-E36 VanDerWaalsContact C-N 3.31Å; N34-E36 PolarHBondContact O-N 3.36Å; E36-N40 WeakPolarHBondContact O-CB 3.44Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 2.91Å; E36-N40 PolarHBondContact O-ND2 3.22Å; E36-K47 IonicContact OE1-NZ 2.86Å; E36-K47 PolarHBondContact OE1-NZ 2.8Å
37E82.1Confident79.1Confident128 Ų12896.4 Ų96.460%0.59848%0.475SS*.Hα-helixtrans-69.2-43177.2-60.4-172.7-176.200111.4N34 W35 N40 K41N34-E37 PolarHBondContact O-N 2.96Å; N34-E37 WeakPolarHBondContact OD1-CB 3.45Å; N34-E37 PolarHBondContact OD1-OE2 3.34Å; W35-E37 VanDerWaalsContact C-N 3.35Å; W35-E37 PolarHBondContact O-N 3.39Å; E37-N40 PolarHBondContact O-N 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.21Å
38E81.8Confident79.9Confident61 Ų6193.2 Ų93.229%0.28547%0.47SS..Hα-helixtrans-67.5-38.1176.5-62.7-58.4148.700112F30 N34 W35 N40 K41F30-E38 HydrophobicContact CD1-CB 3.53Å; F30-E38 HydrophobicContact CD1-CG 4.2Å; F30-E38 HydrophobicContact CE1-CB 3.55Å; F30-E38 HydrophobicContact CE1-CG 4.5Å; N34-E38 PolarHBondContact ND2-OE1 2.85Å; N34-E38 VanDerWaalsContact ND2-OE1 3.14Å; N34-E38 WeakPolarHBondContact O-CG 3.3Å; N34-E38 PolarHBondContact O-N 3.08Å; W35-E38 PolarHBondContact O-N 3.38Å; E38-N40 VanDerWaalsContact C-N 3.34Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.23Å; E38-K41 VanDerWaalsContact O-N 3.16Å; E38-K41 IonicContact OE1-NZ 3.97Å; E38-K41 PolarHBondContact OE1-NZ 2.79Å; E38-K41 IonicContact OE2-NZ 3.54Å; E38-K41 PolarHBondContact OE2-NZ 2.84Å
39F84.7Confident80.5Confident64 Ų6490.8 Ų90.828%0.28147%0.468SS..Hα-helixtrans-66.7-37.8176.9-142.1-115.3000111.6F30 W35 K41 I42 F45F30-F39 HydrophobicContact CE2-CD2 4.16Å; F30-F39 HydrophobicContact CE2-CE2 4.39Å; F30-F39 HydrophobicContact CZ-CD2 4.26Å; W35-F39 VanDerWaalsContact O-CB 3.25Å; W35-F39 WeakPolarHBondContact O-CB 3.3Å; W35-F39 PolarHBondContact O-N 3.48Å; F39-K41 PolarHBondContact O-N 3.11Å; F39-I42 HydrophobicContact CD2-CD1 4.28Å; F39-I42 PolarHBondContact O-N 3.04Å; F39-I42 VanDerWaalsContact O-N 3.1Å; F39-F45 HydrophobicContact CD1-CB 3.25Å; F39-F45 HydrophobicContact CD1-CD1 4.27Å; F39-F45 HydrophobicContact CD1-CD2 4.11Å; F39-F45 AromaticContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD2-CD2 4.24Å; F39-F45 HydrophobicContact CE1-CB 3.23Å; F39-F45 AromaticContact CE1-CD1 3.33Å; F39-F45 HydrophobicContact CE1-CD1 3.33Å; F39-F45 AromaticContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CE1 4.01Å; F39-F45 HydrophobicContact CE1-CE2 4.25Å; F39-F45 AromaticContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CZ 4.43Å; F39-F45 AromaticContact CE2-CD2 3.73Å; F39-F45 HydrophobicContact CE2-CD2 3.73Å; F39-F45 AromaticContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CG 4.13Å; F39-F45 HydrophobicContact CG-CB 4.03Å; F39-F45 HydrophobicContact CG-CD2 4.4Å; F39-F45 HydrophobicContact CG-CG 4.36Å; F39-F45 HydrophobicContact CZ-CB 3.98Å; F39-F45 AromaticContact CZ-CD1 3.57Å; F39-F45 HydrophobicContact CZ-CD1 3.57Å; F39-F45 AromaticContact CZ-CD2 3.37Å; F39-F45 HydrophobicContact CZ-CD2 3.37Å; F39-F45 AromaticContact CZ-CE1 3.79Å; F39-F45 HydrophobicContact CZ-CE1 3.79Å; F39-F45 AromaticContact CZ-CE2 3.61Å; F39-F45 HydrophobicContact CZ-CE2 3.61Å; F39-F45 AromaticContact CZ-CG 3.35Å; F39-F45 HydrophobicContact CZ-CG 3.35Å; F39-F45 AromaticContact CZ-CZ 3.81Å; F39-F45 HydrophobicContact CZ-CZ 3.81Å
40N83.6Confident81.2Confident45 Ų4589.7 Ų89.724%0.24146%0.456CS..Hα-helixtrans-65.1-18.8174.4-81.8-42.9000113.5E36 E37 E38 M46 K47E36-N40 WeakPolarHBondContact O-CB 3.44Å; E36-N40 VanDerWaalsContact O-CG 3.28Å; E36-N40 PolarHBondContact O-N 2.91Å; E36-N40 PolarHBondContact O-ND2 3.22Å; E37-N40 PolarHBondContact O-N 3.29Å; E38-N40 VanDerWaalsContact C-N 3.34Å; N40-M46 VanDerWaalsContact O-CG 3.29Å; N40-M46 WeakPolarHBondContact O-CG 3.18Å; N40-K47 WeakPolarHBondContact OD1-CG 3.48Å; N40-K47 PolarHBondContact OD1-N 3.1Å
41K81.9Confident81.2Confident95 Ų9595.5 Ų95.541%0.41349%0.485SS..Hα-helixtrans-77.3-24.7173.4-64.3171.6-163.7168.40112.5E37 E38 F39 P43E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.21Å; E38-K41 WeakPolarHBondContact O-CB 3.41Å; E38-K41 PolarHBondContact O-N 3.23Å; E38-K41 VanDerWaalsContact O-N 3.16Å; E38-K41 IonicContact OE1-NZ 3.97Å; E38-K41 PolarHBondContact OE1-NZ 2.79Å; E38-K41 IonicContact OE2-NZ 3.54Å; E38-K41 PolarHBondContact OE2-NZ 2.84Å; F39-K41 PolarHBondContact O-N 3.11Å; K41-P43 WeakPolarHBondContact O-CD 3.48Å
42I84.7Confident81.2Confident50 Ų5099.7 Ų99.726%0.25650%0.499SS..SBendtrans-78.3121.6-177.8-59.1171.3000108.6F30 F39 M44 F45 M46F30-I42 HydrophobicContact CZ-CD1 3.87Å; F39-I42 HydrophobicContact CD2-CD1 4.28Å; F39-I42 PolarHBondContact O-N 3.04Å; F39-I42 VanDerWaalsContact O-N 3.1Å; I42-M44 HydrophobicContact CG2-CB 4.35Å; I42-M44 PolarHBondContact O-N 3.37Å; I42-F45 HydrophobicContact CB-CD2 4.01Å; I42-F45 HydrophobicContact CD1-CD2 4.31Å; I42-F45 HydrophobicContact CG2-CD2 3.68Å; I42-F45 HydrophobicContact CG2-CE2 4.17Å; I42-F45 PolarHBondContact O-N 3.17Å; I42-M46 PolarHBondContact O-N 3.16Å
43P83.4Confident81.2Confident34 Ų3495.4 Ų95.422%0.22148%0.475CS..THydrogen-bonded Turntrans-52.2-37.5-175.4-29.934.9000114.7K41 F45 E60 L61 L64K41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-F45 VanDerWaalsContact C-N 3.26Å; P43-F45 PolarHBondContact O-N 3.02Å; P43-E60 HydrophobicContact CG-CB 4.07Å; P43-L61 HydrophobicContact CB-CD2 3.59Å; P43-L61 HydrophobicContact CB-CG 4.5Å; P43-L61 HydrophobicContact CG-CD2 3.58Å; P43-L61 HydrophobicContact CG-CG 3.97Å; P43-L64 HydrophobicContact CB-CD1 3.36Å; P43-L64 HydrophobicContact CG-CD1 3.65Å
44M84.8Confident81.1Confident158 Ų15890.9 Ų90.978%0.77845%0.451SS*.THydrogen-bonded Turntrans-66.7-26.3-178.7-171.4178.3-69.700113.3I42I42-M44 HydrophobicContact CG2-CB 4.35Å; I42-M44 PolarHBondContact O-N 3.37Å
45F85.4Confident81.1Confident93 Ų9394.6 Ų94.641%0.40847%0.466SS..THydrogen-bonded Turntrans-119.34.2-173.2-53.3-66.2000113.7F39 I42 P43 K47F39-F45 HydrophobicContact CD1-CB 3.25Å; F39-F45 HydrophobicContact CD1-CD1 4.27Å; F39-F45 HydrophobicContact CD1-CD2 4.11Å; F39-F45 AromaticContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD1-CG 3.65Å; F39-F45 HydrophobicContact CD2-CD2 4.24Å; F39-F45 HydrophobicContact CE1-CB 3.23Å; F39-F45 AromaticContact CE1-CD1 3.33Å; F39-F45 HydrophobicContact CE1-CD1 3.33Å; F39-F45 AromaticContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CD2 3.6Å; F39-F45 HydrophobicContact CE1-CE1 4.01Å; F39-F45 HydrophobicContact CE1-CE2 4.25Å; F39-F45 AromaticContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CG 3.08Å; F39-F45 HydrophobicContact CE1-CZ 4.43Å; F39-F45 AromaticContact CE2-CD2 3.73Å; F39-F45 HydrophobicContact CE2-CD2 3.73Å; F39-F45 AromaticContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CE2 3.95Å; F39-F45 HydrophobicContact CE2-CG 4.13Å; F39-F45 HydrophobicContact CG-CB 4.03Å; F39-F45 HydrophobicContact CG-CD2 4.4Å; F39-F45 HydrophobicContact CG-CG 4.36Å; F39-F45 HydrophobicContact CZ-CB 3.98Å; F39-F45 AromaticContact CZ-CD1 3.57Å; F39-F45 HydrophobicContact CZ-CD1 3.57Å; F39-F45 AromaticContact CZ-CD2 3.37Å; F39-F45 HydrophobicContact CZ-CD2 3.37Å; F39-F45 AromaticContact CZ-CE1 3.79Å; F39-F45 HydrophobicContact CZ-CE1 3.79Å; F39-F45 AromaticContact CZ-CE2 3.61Å; F39-F45 HydrophobicContact CZ-CE2 3.61Å; F39-F45 AromaticContact CZ-CG 3.35Å; F39-F45 HydrophobicContact CZ-CG 3.35Å; F39-F45 AromaticContact CZ-CZ 3.81Å; F39-F45 HydrophobicContact CZ-CZ 3.81Å; I42-F45 HydrophobicContact CB-CD2 4.01Å; I42-F45 HydrophobicContact CD1-CD2 4.31Å; I42-F45 HydrophobicContact CG2-CD2 3.68Å; I42-F45 HydrophobicContact CG2-CE2 4.17Å; I42-F45 PolarHBondContact O-N 3.17Å; P43-F45 VanDerWaalsContact C-N 3.26Å; P43-F45 PolarHBondContact O-N 3.02Å; F45-K47 PolarHBondContact O-N 3.43Å
46M83.9Confident80.9Confident43 Ų4396.7 Ų96.721%0.21248%0.479CS..  trans-64.4121.5179.7-173.2168.4-147.100110.8N40 I42 T48 P50 L61N40-M46 VanDerWaalsContact O-CG 3.29Å; N40-M46 WeakPolarHBondContact O-CG 3.18Å; I42-M46 PolarHBondContact O-N 3.16Å; M46-T48 WeakPolarHBondContact CE-O 3.28Å; M46-T48 VanDerWaalsContact CG-O 3.24Å; M46-T48 WeakPolarHBondContact CG-O 3.1Å; M46-P50 VanDerWaalsContact CE-CD 3.44Å; M46-P50 HydrophobicContact CE-CG 3.59Å; M46-P50 HydrophobicContact SD-CG 4.47Å; M46-L61 HydrophobicContact CE-CD1 4.4Å; M46-L61 HydrophobicContact SD-CD1 3.97Å
47K83.6Confident80.9Confident144 Ų14499.2 Ų99.263%0.62649%0.489SS*.SBendtrans-68.4-33.5178.7-70.1178.3-179.7-177.20113.2E36 N40 F45E36-K47 IonicContact OE1-NZ 2.86Å; E36-K47 PolarHBondContact OE1-NZ 2.8Å; N40-K47 WeakPolarHBondContact OD1-CG 3.48Å; N40-K47 PolarHBondContact OD1-N 3.1Å; F45-K47 PolarHBondContact O-N 3.43Å
48T80.3Confident80.9Confident110 Ų11095.7 Ų95.768%0.67547%0.47SS*.SBendtrans-144.2122.6-178.752.50000109.7M46M46-T48 WeakPolarHBondContact CE-O 3.28Å; M46-T48 VanDerWaalsContact CG-O 3.24Å; M46-T48 WeakPolarHBondContact CG-O 3.1Å
49A77.4Confident81Confident81 Ų8196.8 Ų96.867%0.66948%0.483SS*.  trans-67.9143.3174.400000111
50P79.8Confident80.9Confident35 Ų3599.3 Ų99.323%0.22750%0.495CS..  trans-65.7148.2173.2-12.429.5000110.3M46 E52 Y58 L61M46-P50 VanDerWaalsContact CE-CD 3.44Å; M46-P50 HydrophobicContact CE-CG 3.59Å; M46-P50 HydrophobicContact SD-CG 4.47Å; P50-E52 VanDerWaalsContact C-N 3.29Å; P50-E52 PolarHBondContact O-N 2.79Å; P50-Y58 HydrophobicContact CB-CE2 4.42Å; P50-Y58 HydrophobicContact CG-CD2 4.24Å; P50-Y58 HydrophobicContact CG-CE2 3.88Å; P50-L61 HydrophobicContact CG-CD1 4.07Å
51E72.1Confident80.9Confident211 Ų21198.1 Ų98.199%0.98649%0.489SS*.SBendtrans-68-29.7178.1-64.2-174.9172.900112.7
52E75.7Confident81Confident171 Ų17194.8 Ų94.880%0.79948%0.479SS*.SBendtrans-130.6122176.9-167.4170.6-158.800110P50 D54P50-E52 VanDerWaalsContact C-N 3.29Å; P50-E52 PolarHBondContact O-N 2.79Å; E52-D54 PolarHBondContact O-N 2.99Å
53I77.2Confident80.9Confident55 Ų5595.7 Ų95.728%0.28249%0.489SS..  trans-91.897.3-178.1-60.6170.6000108.1L61 A62I53-L61 HydrophobicContact CG2-CB 3.81Å; I53-A62 HydrophobicContact CG2-CB 4.17Å
54D78.7Confident80.9Confident68 Ų6897.8 Ų97.836%0.36450%0.498SS..  trans-80.7120.9172.1-179.93.8000110.4E52 K56 K57 Y58E52-D54 PolarHBondContact O-N 2.99Å; D54-K56 PolarHBondContact O-N 3.33Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 2.83Å; D54-K57 HydrophobicContact CB-CB 4.07Å; D54-K57 PolarHBondContact O-N 2.95Å; D54-Y58 PolarHBondContact O-N 3.19Å
55H77Confident80.7Confident128 Ų12894.2 Ų94.259%0.59348%0.479SS*.THydrogen-bonded Turntrans-53.6-28.8176.468.1120.6000114.1A62H55-A62 HydrophobicContact CB-CB 4.33Å
56K78.9Confident80.5Confident169 Ų16993.1 Ų93.174%0.73548%0.483SS*.THydrogen-bonded Turntrans-81.2-27.5177.4-67.3-179.4-172.1175.40113.3D54D54-K56 PolarHBondContact O-N 3.33Å; D54-K56 VanDerWaalsContact O-N 3.14Å; D54-K56 PolarHBondContact OD1-N 2.83Å
57K81.3Confident80.4Confident141 Ų14195.8 Ų95.861%0.61350%0.497SS*.THydrogen-bonded Turntrans-93.7-36.4-175.1-167.1175.3178-179.70112.2D54D54-K57 HydrophobicContact CB-CB 4.07Å; D54-K57 PolarHBondContact O-N 2.95Å
58Y81.9Confident80.1Confident54 Ų5493.7 Ų93.721%0.21249%0.492CS..  trans-135.874.6-178.1-55.7-71.6000111.2P50 D54 E60 L61 A62P50-Y58 HydrophobicContact CB-CE2 4.42Å; P50-Y58 HydrophobicContact CG-CD2 4.24Å; P50-Y58 HydrophobicContact CG-CE2 3.88Å; D54-Y58 PolarHBondContact O-N 3.19Å; Y58-E60 PolarHBondContact O-N 3.36Å; Y58-L61 HydrophobicContact CD1-CD1 4.26Å; Y58-L61 HydrophobicContact CD2-CD1 4.41Å; Y58-L61 HydrophobicContact CG-CD1 3.93Å; Y58-L61 PolarHBondContact O-N 3.48Å; Y58-A62 PolarHBondContact O-N 3.46Å
59P84.2Confident79.5Confident84 Ų8493.4 Ų93.455%0.54548%0.483SS..Hα-helixtrans-61-34.2-177.524.5-34000112.5A62 C63P59-A62 PolarHBondContact O-N 2.89Å; P59-C63 WeakPolarHBondContact O-CB 3.37Å; P59-C63 PolarHBondContact O-N 2.88Å
60E83.6Confident79.4Confident116 Ų11692.6 Ų92.654%0.54247%0.467SS..Hα-helixtrans-68.3-43.3179.1-64.6163.1-167.900112.1P43 Y58 C63 L64P43-E60 HydrophobicContact CG-CB 4.07Å; Y58-E60 PolarHBondContact O-N 3.36Å; E60-C63 PolarHBondContact O-N 3.13Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.41Å
61L83.8Confident78.8Confident20 Ų2099.1 Ų99.111%0.10550%0.495CS..Hα-helixtrans-65.7-40.7174.7-72.7175.2000111.3P43 M46 P50 I53 Y58 C63 L64 Q65P43-L61 HydrophobicContact CB-CD2 3.59Å; P43-L61 HydrophobicContact CB-CG 4.5Å; P43-L61 HydrophobicContact CG-CD2 3.58Å; P43-L61 HydrophobicContact CG-CG 3.97Å; M46-L61 HydrophobicContact CE-CD1 4.4Å; M46-L61 HydrophobicContact SD-CD1 3.97Å; P50-L61 HydrophobicContact CG-CD1 4.07Å; I53-L61 HydrophobicContact CG2-CB 3.81Å; Y58-L61 HydrophobicContact CD1-CD1 4.26Å; Y58-L61 HydrophobicContact CD2-CD1 4.41Å; Y58-L61 HydrophobicContact CG-CD1 3.93Å; Y58-L61 PolarHBondContact O-N 3.48Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 3.18Å; L61-L64 PolarHBondContact O-N 3.17Å; L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å
62A82.8Confident78.7Confident25 Ų2596.3 Ų96.321%0.20749%0.486CS..Hα-helixtrans-63.2-39.8176.500000111.7I53 H55 Y58 P59 Q65 S66I53-A62 HydrophobicContact CG2-CB 4.17Å; H55-A62 HydrophobicContact CB-CB 4.33Å; Y58-A62 PolarHBondContact O-N 3.46Å; P59-A62 PolarHBondContact O-N 2.89Å; A62-Q65 WeakPolarHBondContact O-CB 3.46Å; A62-Q65 PolarHBondContact O-N 3.45Å; A62-S66 PolarHBondContact O-N 2.99Å; A62-S66 PolarHBondContact O-OG 3.21Å
63C84.1Confident78.8Confident69 Ų6992.7 Ų92.747%0.46647%0.465SS..Hα-helixtrans-64.8-44.2174.8-178.30000112.2P59 E60 L61 Q65 S66 I67P59-C63 WeakPolarHBondContact O-CB 3.37Å; P59-C63 PolarHBondContact O-N 2.88Å; E60-C63 PolarHBondContact O-N 3.13Å; L61-C63 VanDerWaalsContact C-N 3.33Å; L61-C63 PolarHBondContact O-N 3.18Å; C63-Q65 VanDerWaalsContact C-N 3.3Å; C63-Q65 PolarHBondContact O-N 3.43Å; C63-S66 WeakPolarHBondContact CA-OG 3.3Å; C63-S66 PolarHBondContact O-N 2.9Å; C63-S66 PolarHBondContact O-OG 3.32Å; C63-I67 WeakPolarHBondContact O-CG1 3.47Å; C63-I67 PolarHBondContact O-N 2.92Å
64L82.7Confident79.1Confident79 Ų7992.3 Ų92.341%0.41447%0.468SS..Hα-helixtrans-62.3-40.9174.1-71.6171.7000111.4P43 E60 L61 S66 I67 I68P43-L64 HydrophobicContact CB-CD1 3.36Å; P43-L64 HydrophobicContact CG-CD1 3.65Å; E60-L64 WeakPolarHBondContact O-CG 3.29Å; E60-L64 PolarHBondContact O-N 3.41Å; L61-L64 PolarHBondContact O-N 3.17Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.59Å; L64-I67 PolarHBondContact O-N 3.25Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.02Å
65Q79.9Confident79.3Confident82 Ų8291.8 Ų91.838%0.38347%0.468SS..Hα-helixtrans-61.7-41.8176.3-166.9177.38.500111.2L61 A62 C63 I67 I68 H69L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å; A62-Q65 WeakPolarHBondContact O-CB 3.46Å; A62-Q65 PolarHBondContact O-N 3.45Å; C63-Q65 VanDerWaalsContact C-N 3.3Å; C63-Q65 PolarHBondContact O-N 3.43Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.49Å; Q65-I68 PolarHBondContact O-N 2.99Å; Q65-H69 WeakPolarHBondContact O-CB 3.28Å; Q65-H69 PolarHBondContact O-CD2 3.46Å; Q65-H69 VanDerWaalsContact O-CD2 3.29Å; Q65-H69 PolarHBondContact O-N 3.45Å
66S81.8Confident79.7Confident71 Ų7188 Ų8850%0.49745%0.451SS..Hα-helixtrans-66-34.6175.660.70000113A62 C63 L64 H69 D70A62-S66 PolarHBondContact O-N 2.99Å; A62-S66 PolarHBondContact O-OG 3.21Å; C63-S66 WeakPolarHBondContact CA-OG 3.3Å; C63-S66 PolarHBondContact O-N 2.9Å; C63-S66 PolarHBondContact O-OG 3.32Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 2.59Å; S66-H69 CarbonylContact O-C 3.57Å; S66-D70 WeakPolarHBondContact O-CA 3.43Å; S66-D70 PolarHBondContact O-N 2.92Å; S66-D70 VanDerWaalsContact O-N 3.09Å
67I82.1Confident80Confident99 Ų9985.2 Ų85.251%0.50844%0.44SS..Hα-helixtrans-68.7-39.4175.8-67.1164.4000111.2C63 L64 Q65 R73C63-I67 WeakPolarHBondContact O-CG1 3.47Å; C63-I67 PolarHBondContact O-N 2.92Å; L64-I67 PolarHBondContact O-N 3.25Å; Q65-I67 VanDerWaalsContact C-N 3.35Å; Q65-I67 PolarHBondContact O-N 3.49Å; I67-R73 PolarHBondContact O-NH2 2.83Å
68I76.4Confident80.2Confident100 Ų10080 Ų8051%0.51342%0.418SS..Hα-helixtrans-73.6-45.2-179.4-67.8166.9000110.5L64 Q65 R73L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.43Å; L64-I68 PolarHBondContact O-N 3.02Å; Q65-I68 PolarHBondContact O-N 2.99Å; I68-R73 PolarHBondContact O-NH1 3.36Å
69H69.1Low80.5Confident104 Ų10477.4 Ų77.448%0.48141%0.408SS..THydrogen-bonded Turntrans-100.735.7-176.7-60.3-72.3000112.9Q65 S66 E71Q65-H69 WeakPolarHBondContact O-CB 3.28Å; Q65-H69 PolarHBondContact O-CD2 3.46Å; Q65-H69 VanDerWaalsContact O-CD2 3.29Å; Q65-H69 PolarHBondContact O-N 3.45Å; S66-H69 CarbonylContact O-C 3.57Å; H69-E71 PolarHBondContact O-N 2.84Å
70D74.3Confident80.8Confident64 Ų6478 Ų7834%0.34240%0.402SS..  trans-50.8108.4177.1-166.9-3000110.1S66 D72 R73 Q78S66-D70 WeakPolarHBondContact O-CA 3.43Å; S66-D70 PolarHBondContact O-N 2.92Å; S66-D70 VanDerWaalsContact O-N 3.09Å; D70-D72 PolarHBondContact O-N 3.47Å; D70-D72 PolarHBondContact OD1-N 3.45Å; D70-R73 HydrophobicContact CB-CG 4.27Å; D70-R73 PolarHBondContact O-N 3.14Å; D70-Q78 PolarHBondContact O-NE2 3.41Å
71E66.6Low81.1Confident172 Ų17275.4 Ų75.480%0.80440%0.396SS*.THydrogen-bonded Turntrans-67.9-18.8-172.4-65.9-167.4163.700111.3H69 R73 Q78H69-E71 PolarHBondContact O-N 2.84Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.49Å; E71-Q78 PolarHBondContact O-NE2 2.84Å
72D71.9Confident81.4Confident152 Ų15275.5 Ų75.581%0.81340%0.397SS*.THydrogen-bonded Turntrans-76.6-10.4179.5-66.4-28.8000113.3D70D70-D72 PolarHBondContact O-N 3.47Å; D70-D72 PolarHBondContact OD1-N 3.45Å
73R75.8Confident81.9Confident94 Ų9476.5 Ų76.536%0.35540%0.397SS..SBendtrans-69146.9173.6-69.1-173.2-166.8150.913.8111.5I67 I68 D70 E71 Q78I67-R73 PolarHBondContact O-NH2 2.83Å; I68-R73 PolarHBondContact O-NH1 3.36Å; D70-R73 HydrophobicContact CB-CG 4.27Å; D70-R73 PolarHBondContact O-N 3.14Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.49Å; R73-Q78 HydrophobicContact CB-CG 3.94Å; R73-Q78 PolarHBondContact O-NE2 3.14Å
74S84.3Confident82.4Confident48 Ų4877.4 Ų77.434%0.33640%0.397SS..  trans-57.5143.9177.2125.80000110.7E76 E77 Q78S74-E76 PolarHBondContact O-N 3.46Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 PolarHBondContact OG-N 2.97Å; S74-E76 PolarHBondContact OG-OE2 2.92Å; S74-E77 PolarHBondContact O-N 2.94Å; S74-Q78 PolarHBondContact O-N 2.97Å
75P83.4Confident82.8Confident57 Ų5777.6 Ų77.637%0.3740%0.395SS..Hα-helixtrans-51.9-34.1178.4-27.935.3000113.2A79 C110P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 2.73Å; P75-C110 PolarHBondContact O-SG 3.28Å
76E84.6Confident83.5Confident48 Ų4873.7 Ų73.722%0.22438%0.377CS..Hα-helixtrans-65.3-42.8177.1-65.565.3-143.100112.5S74 K80 C110 E111S74-E76 PolarHBondContact O-N 3.46Å; S74-E76 VanDerWaalsContact O-N 3.08Å; S74-E76 PolarHBondContact OG-N 2.97Å; S74-E76 PolarHBondContact OG-OE2 2.92Å; E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 2.99Å; E76-C110 HydrophobicContact CG-CB 4.32Å; E76-E111 PolarHBondContact OE1-N 3.12Å
77E85.5Confident84.1Confident110 Ų11072.3 Ų72.351%0.51436%0.364SS..Hα-helixtrans-70.1-40.6178.3-66.4-173.9160.400111.2S74 A79 K80 S81S74-E77 PolarHBondContact O-N 2.94Å; E77-A79 PolarHBondContact O-N 3.43Å; E77-K80 PolarHBondContact O-N 3.16Å; E77-S81 PolarHBondContact O-N 3.29Å
78Q85.5Confident84.7Confident31 Ų3169.7 Ų69.715%0.14536%0.357CS..Hα-helixtrans-59.7-45.8173.7-66.5-177.7-1.500111.2D70 E71 R73 S74 K80 S81 L82 K108D70-Q78 PolarHBondContact O-NE2 3.41Å; E71-Q78 PolarHBondContact O-NE2 2.84Å; R73-Q78 HydrophobicContact CB-CG 3.94Å; R73-Q78 PolarHBondContact O-NE2 3.14Å; S74-Q78 PolarHBondContact O-N 2.97Å; Q78-K80 PolarHBondContact O-N 3.43Å; Q78-S81 PolarHBondContact O-N 3.35Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3Å; Q78-K108 HydrophobicContact CB-CG 4.44Å
79A88.9Confident85.6Confident0 Ų067.2 Ų67.20%034%0.343CS..Hα-helixtrans-68.2-33177.200000113.4P75 E77 K83 A105 K108 C110 L115P75-A79 WeakPolarHBondContact O-CB 3.42Å; P75-A79 PolarHBondContact O-N 2.73Å; E77-A79 PolarHBondContact O-N 3.43Å; A79-K83 VanDerWaalsContact O-CB 3.25Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.43Å; A79-A105 HydrophobicContact CB-CB 4.34Å; A79-K108 HydrophobicContact CB-CB 4.46Å; A79-C110 WeakPolarHBondContact CB-SG 3.29Å; A79-L115 HydrophobicContact CB-CD2 3.96Å
80K90Very high86.7Confident98 Ų9865 Ų6543%0.42633%0.332SS..Hα-helixtrans-64.2-44.1173.1-76.7169.4-170.71710111.4E76 E77 Q78 K83 D84 L115E76-K80 WeakPolarHBondContact O-CB 3.42Å; E76-K80 VanDerWaalsContact O-CG 3.24Å; E76-K80 WeakPolarHBondContact O-CG 3.39Å; E76-K80 PolarHBondContact O-N 2.99Å; E77-K80 PolarHBondContact O-N 3.16Å; Q78-K80 PolarHBondContact O-N 3.43Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.28Å; K80-D84 PolarHBondContact O-N 3.32Å; K80-L115 HydrophobicContact CG-CD1 4.4Å; K80-L115 HydrophobicContact CG-CD2 4.11Å
81S89.5Confident87.7Confident60 Ų6070.3 Ų70.342%0.4235%0.352SS..Hα-helixtrans-60.3-49.1175.8-178.90000111.5E77 Q78 K83 D84 E85E77-S81 PolarHBondContact O-N 3.29Å; Q78-S81 PolarHBondContact O-N 3.35Å; S81-K83 VanDerWaalsContact C-N 3.31Å; S81-K83 PolarHBondContact O-N 3.38Å; S81-D84 PolarHBondContact O-N 2.98Å; S81-E85 PolarHBondContact O-N 2.98Å
82L91.2Very high89Confident23 Ų2368.6 Ų68.612%0.1234%0.344CS..Hα-helixtrans-63.5-34177-69.9167.4000113Q78 D84 G86 A104 A105 K108Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 3Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-G86 PolarHBondContact O-N 2.98Å; L82-A104 HydrophobicContact CD1-CB 4.2Å; L82-A104 HydrophobicContact CD2-CB 4.38Å; L82-A105 HydrophobicContact CB-CB 3.7Å; L82-A105 HydrophobicContact CD1-CB 4.35Å; L82-K108 HydrophobicContact CD1-CG 4.06Å
83K93Very high89.9Confident46 Ų4668.6 Ų68.620%0.234%0.337CS..Hα-helixtrans-62-44.3172.2-178.3-156.471.2-171.50110.8A79 K80 S81 G86 N87 L115 V118 L119A79-K83 VanDerWaalsContact O-CB 3.25Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.43Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.28Å; S81-K83 VanDerWaalsContact C-N 3.31Å; S81-K83 PolarHBondContact O-N 3.38Å; K83-G86 PolarHBondContact O-N 3.39Å; K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å; K83-N87 PolarHBondContact O-ND2 2.89Å; K83-N87 PolarHBondContact O-OD1 2.95Å; K83-L115 HydrophobicContact CD-CD1 3.94Å; K83-V118 HydrophobicContact CD-CG1 4.47Å; K83-L119 HydrophobicContact CB-CD2 3.75Å; K83-L119 HydrophobicContact CG-CD2 3.85Å
84D93.5Very high90.8Very high87 Ų8766.8 Ų66.847%0.46533%0.334SS..Hα-helixtrans-70.4-36.1-178.4-67.6-24.6000111.6K80 S81 L82 N87 A88K80-D84 PolarHBondContact O-N 3.32Å; S81-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact C-N 3.35Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.26Å; D84-A88 PolarHBondContact O-N 3.06Å
85E91.7Very high91.2Very high83 Ų8366.7 Ų66.739%0.38833%0.327SS..Hα-helixtrans-60.2-49.1168.7-169.8-17216900111.6S81 N87 A88 F89S81-E85 PolarHBondContact O-N 2.98Å; E85-N87 VanDerWaalsContact C-N 3.25Å; E85-N87 PolarHBondContact O-N 3.01Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.19Å; E85-F89 HydrophobicContact CG-CD2 4.22Å; E85-F89 HydrophobicContact CG-CE2 3.68Å; E85-F89 HydrophobicContact CG-CZ 4.44Å; E85-F89 WeakPolarHBondContact O-CD2 3.39Å; E85-F89 PolarHBondContact O-N 3.4Å; E85-F89 VanDerWaalsContact O-N 3.1Å; E85-F89 WeakPolarHBondContact OE1-CE2 3.16Å
86G94.3Very high91.7Very high0 Ų071.1 Ų71.10%034%0.34CS..Hα-helixtrans-58.5-37.1174.800000112.8L82 K83 F89 F90 Y102L82-G86 PolarHBondContact O-N 2.98Å; K83-G86 PolarHBondContact O-N 3.39Å; G86-F89 PolarHBondContact O-N 3.44Å; G86-F90 WeakPolarHBondContact O-CB 3.39Å; G86-F90 PolarHBondContact O-N 3.25Å; G86-Y102 VanDerWaalsContact C-OH 3.32Å; G86-Y102 PolarHBondContact O-OH 3.32Å
87N93.8Very high92.1Very high43 Ų4375.4 Ų75.423%0.2336%0.355CS..Hα-helixtrans-67.7-34175.7-68.1-23.7000112.6K83 D84 E85 F90 K91 Y102 N122K83-N87 WeakPolarHBondContact O-CB 3.48Å; K83-N87 PolarHBondContact O-N 3.1Å; K83-N87 PolarHBondContact O-ND2 2.89Å; K83-N87 PolarHBondContact O-OD1 2.95Å; D84-N87 WeakPolarHBondContact O-CB 3.25Å; D84-N87 PolarHBondContact O-N 3.26Å; E85-N87 VanDerWaalsContact C-N 3.25Å; E85-N87 PolarHBondContact O-N 3.01Å; N87-F90 PolarHBondContact O-N 2.84Å; N87-K91 WeakPolarHBondContact O-CG 3.34Å; N87-K91 PolarHBondContact O-N 3.36Å; N87-K91 VanDerWaalsContact O-N 3.11Å; N87-Y102 WeakPolarHBondContact CA-OH 3.48Å; N87-Y102 PolarHBondContact N-OH 3.49Å; N87-Y102 PolarHBondContact OD1-OH 3.03Å; N87-N122 PolarHBondContact OD1-ND2 3.35Å
88A95.2Very high92.6Very high43 Ų4370.2 Ų70.236%0.35533%0.331SS..Hα-helixtrans-63.8-51.2173.500000110.4D84 E85 F90 K91 E92D84-A88 PolarHBondContact O-N 3.06Å; E85-A88 WeakPolarHBondContact O-CB 3.41Å; E85-A88 PolarHBondContact O-N 3.19Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å; A88-K91 WeakPolarHBondContact O-CB 3.35Å; A88-K91 PolarHBondContact O-N 3.49Å; A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.07Å
89F94.6Very high93Very high48 Ų4869.7 Ų69.721%0.21133%0.33CS..Hα-helixtrans-59.4-36.3175.6-68.7-51.6000113E85 G86 E92 K93 N94 A98 A101E85-F89 HydrophobicContact CG-CD2 4.22Å; E85-F89 HydrophobicContact CG-CE2 3.68Å; E85-F89 HydrophobicContact CG-CZ 4.44Å; E85-F89 WeakPolarHBondContact O-CD2 3.39Å; E85-F89 PolarHBondContact O-N 3.4Å; E85-F89 VanDerWaalsContact O-N 3.1Å; E85-F89 WeakPolarHBondContact OE1-CE2 3.16Å; G86-F89 PolarHBondContact O-N 3.44Å; F89-E92 PolarHBondContact O-N 2.92Å; F89-K93 PolarHBondContact O-N 3.39Å; F89-N94 PolarHBondContact O-N 3.48Å; F89-A98 HydrophobicContact CB-CB 3.88Å; F89-A101 HydrophobicContact CD2-CB 4.44Å
90F93.4Very high93.3Very high58 Ų5874.3 Ų74.325%0.25436%0.358SS..Hα-helixtrans-63.7-41176.2-166.7-85.2000112.1G86 N87 A88 E92 K93 Y95 A98 A125 S126 H129G86-F90 WeakPolarHBondContact O-CB 3.39Å; G86-F90 PolarHBondContact O-N 3.25Å; N87-F90 PolarHBondContact O-N 2.84Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å; F90-E92 VanDerWaalsContact C-N 3.33Å; F90-K93 PolarHBondContact O-N 3.1Å; F90-K93 VanDerWaalsContact O-N 3.12Å; F90-Y95 AromaticContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CE1 4.13Å; F90-Y95 AromaticContact CE2-CD1 3.95Å; F90-Y95 HydrophobicContact CE2-CD1 3.95Å; F90-Y95 AromaticContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CZ-CE1 4.14Å; F90-A98 HydrophobicContact CB-CB 4.42Å; F90-A125 HydrophobicContact CE2-CB 4.12Å; F90-A125 HydrophobicContact CZ-CB 4.3Å; F90-S126 WeakPolarHBondContact CD2-OG 3.44Å; F90-H129 AromaticContact CE2-CD2 3.91Å; F90-H129 AromaticContact CZ-CD2 3.67Å; F90-H129 AromaticContact CZ-NE2 3.72Å
91K94.3Very high93.4Very high176 Ų17669.9 Ų69.977%0.76534%0.34SS*.Hα-helixtrans-65.5-37.1176.2-71.9172-174.2174.60112N87 A88 K93N87-K91 WeakPolarHBondContact O-CG 3.34Å; N87-K91 PolarHBondContact O-N 3.36Å; N87-K91 VanDerWaalsContact O-N 3.11Å; A88-K91 WeakPolarHBondContact O-CB 3.35Å; A88-K91 PolarHBondContact O-N 3.49Å; K91-K93 PolarHBondContact O-N 3.29Å
92E93.8Very high93.7Very high136 Ų13667.1 Ų67.164%0.63632%0.32SS*.THydrogen-bonded Turntrans-74.61.1175.1-66.8175.8-175.100113.3A88 F89 F90 N94A88-E92 PolarHBondContact O-N 2.95Å; A88-E92 VanDerWaalsContact O-N 3.07Å; F89-E92 PolarHBondContact O-N 2.92Å; F90-E92 VanDerWaalsContact C-N 3.33Å; E92-N94 PolarHBondContact O-N 3.31Å
93K92.3Very high93.8Very high152 Ų15267.9 Ų67.966%0.66133%0.326SS*.THydrogen-bonded Turntrans61.616.4-175.2-53.4176.3179.1173.60113.6F89 F90 K91 Y95F89-K93 PolarHBondContact O-N 3.39Å; F90-K93 PolarHBondContact O-N 3.1Å; F90-K93 VanDerWaalsContact O-N 3.12Å; K91-K93 PolarHBondContact O-N 3.29Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å; K93-Y95 WeakPolarHBondContact O-CD2 3.48Å; K93-Y95 WeakPolarHBondContact O-CE2 3.48Å; K93-Y95 PolarHBondContact O-N 3.44Å
94N93.6Very high93.7Very high56 Ų5667.4 Ų67.430%0.29933%0.33SS..  trans-86.566.5176.6-160.8-2.5000111F89 E92 K96 Y97 A98F89-N94 PolarHBondContact O-N 3.48Å; E92-N94 PolarHBondContact O-N 3.31Å; N94-K96 PolarHBondContact O-N 2.7Å; N94-K96 VanDerWaalsContact O-N 3.12Å; N94-Y97 WeakPolarHBondContact ND2-CD2 3.37Å; N94-Y97 WeakPolarHBondContact ND2-CE2 3.21Å; N94-Y97 PolarHBondContact O-N 3.03Å; N94-Y97 WeakPolarHBondContact OD1-CD2 3.42Å; N94-A98 PolarHBondContact O-N 3.23Å; N94-A98 VanDerWaalsContact O-N 3.16Å
95Y93.6Very high93.6Very high46 Ų4663.2 Ų63.218%0.1831%0.308CS..Hα-helixtrans-62.9-23.1-170.5-52.2-66.3000114F90 K93 V99 H129F90-Y95 AromaticContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CD1 3.95Å; F90-Y95 HydrophobicContact CD2-CE1 4.13Å; F90-Y95 AromaticContact CE2-CD1 3.95Å; F90-Y95 HydrophobicContact CE2-CD1 3.95Å; F90-Y95 AromaticContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CE2-CE1 3.94Å; F90-Y95 HydrophobicContact CZ-CE1 4.14Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å; K93-Y95 WeakPolarHBondContact O-CD2 3.48Å; K93-Y95 WeakPolarHBondContact O-CE2 3.48Å; K93-Y95 PolarHBondContact O-N 3.44Å; Y95-V99 VanDerWaalsContact O-CG2 3.31Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 2.95Å; Y95-V99 VanDerWaalsContact O-N 3.15Å; Y95-H129 HydrophobicContact CD1-CB 3.81Å; Y95-H129 HydrophobicContact CD2-CB 3.62Å; Y95-H129 HydrophobicContact CE1-CB 3.77Å; Y95-H129 AromaticContact CE1-CD2 3.61Å; Y95-H129 AromaticContact CE1-CG 3.66Å; Y95-H129 HydrophobicContact CE2-CB 3.59Å; Y95-H129 HydrophobicContact CG-CB 3.73Å; Y95-H129 AromaticContact CZ-CD2 3.97Å; Y95-H129 AromaticContact CZ-CG 3.59Å; Y95-H129 AromaticContact CZ-ND1 3.95Å
96K93.9Very high93.5Very high149 Ų14960.7 Ų60.765%0.64830%0.297SS*.Hα-helixtrans-66.6-48.7177.7-67.4-177.6-176.71750111.2N94 V99 V100 L130N94-K96 PolarHBondContact O-N 2.7Å; N94-K96 VanDerWaalsContact O-N 3.12Å; K96-V99 PolarHBondContact O-N 2.88Å; K96-V100 PolarHBondContact O-N 3.2Å; K96-L130 HydrophobicContact CG-CD1 4.38Å; K96-L130 HydrophobicContact CG-CD2 3.98Å
97Y92.9Very high93.2Very high139 Ų13966.2 Ų66.255%0.54533%0.326SS..Hα-helixtrans-72-35.3179-68.6-96.7000111.2N94 V99 V100 A101N94-Y97 WeakPolarHBondContact ND2-CD2 3.37Å; N94-Y97 WeakPolarHBondContact ND2-CE2 3.21Å; N94-Y97 PolarHBondContact O-N 3.03Å; N94-Y97 WeakPolarHBondContact OD1-CD2 3.42Å; Y97-V99 VanDerWaalsContact C-N 3.3Å; Y97-V99 PolarHBondContact O-N 3.12Å; Y97-V100 WeakPolarHBondContact O-CB 3.37Å; Y97-V100 PolarHBondContact O-N 3.29Å; Y97-A101 PolarHBondContact O-N 3.23Å
98A95Very high92.9Very high0 Ų068.4 Ų68.40%033%0.334CS..Hα-helixtrans-55.9-43.5172.400000112.2F89 F90 N94 V100 A101 Y102F89-A98 HydrophobicContact CB-CB 3.88Å; F90-A98 HydrophobicContact CB-CB 4.42Å; N94-A98 PolarHBondContact O-N 3.23Å; N94-A98 VanDerWaalsContact O-N 3.16Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 2.91Å; A98-A101 PolarHBondContact O-N 3.45Å; A98-Y102 HydrophobicContact CB-CD2 4.45Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.32Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 3.07Å
99V94.5Very high91.9Very high20 Ų2074.9 Ų74.912%0.12135%0.354CS..Hα-helixtrans-61.3-41.2175.6167.50000112Y95 K96 Y97 T103 R123 L130Y95-V99 VanDerWaalsContact O-CG2 3.31Å; Y95-V99 WeakPolarHBondContact O-CG2 3.45Å; Y95-V99 PolarHBondContact O-N 2.95Å; Y95-V99 VanDerWaalsContact O-N 3.15Å; K96-V99 PolarHBondContact O-N 2.88Å; Y97-V99 VanDerWaalsContact C-N 3.3Å; Y97-V99 PolarHBondContact O-N 3.12Å; V99-T103 VanDerWaalsContact O-CB 3.27Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.34Å; V99-T103 PolarHBondContact O-OG1 2.93Å; V99-R123 HydrophobicContact CG1-CG 4.43Å; V99-L130 HydrophobicContact CG2-CD1 4.18Å
100V94.6Very high91.2Very high98 Ų9872.8 Ų72.859%0.59435%0.346SS*.Hα-helixtrans-63.6-49.1178.4176.10000109.9K96 Y97 A98 Y102 T103 A104K96-V100 PolarHBondContact O-N 3.2Å; Y97-V100 WeakPolarHBondContact O-CB 3.37Å; Y97-V100 PolarHBondContact O-N 3.29Å; A98-V100 VanDerWaalsContact C-N 3.34Å; A98-V100 PolarHBondContact O-N 2.91Å; V100-Y102 PolarHBondContact O-N 3.5Å; V100-T103 PolarHBondContact O-N 3.3Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 2.9Å
101A93.8Very high90.4Very high5 Ų578.4 Ų78.44%0.04137%0.372CS..Hα-helixtrans-59.9-47.7178.600000112.4F89 Y97 A98 T103 A104 A105F89-A101 HydrophobicContact CD2-CB 4.44Å; Y97-A101 PolarHBondContact O-N 3.23Å; A98-A101 PolarHBondContact O-N 3.45Å; A101-T103 VanDerWaalsContact C-N 3.3Å; A101-T103 PolarHBondContact O-N 3.37Å; A101-A104 PolarHBondContact O-N 3.09Å; A101-A105 PolarHBondContact O-N 2.98Å
102Y94.5Very high89.8Confident1 Ų172.9 Ų72.90%0.00435%0.351CS..Hα-helixtrans-64.8-33.2176.6-63.3-46000113G86 N87 A98 V100 A105 L106 L119 N122 R123G86-Y102 VanDerWaalsContact C-OH 3.32Å; G86-Y102 PolarHBondContact O-OH 3.32Å; N87-Y102 WeakPolarHBondContact CA-OH 3.48Å; N87-Y102 PolarHBondContact N-OH 3.49Å; N87-Y102 PolarHBondContact OD1-OH 3.03Å; A98-Y102 HydrophobicContact CB-CD2 4.45Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.32Å; A98-Y102 VanDerWaalsContact O-CG 3.31Å; A98-Y102 PolarHBondContact O-N 3.07Å; V100-Y102 PolarHBondContact O-N 3.5Å; Y102-A105 PolarHBondContact O-N 3.24Å; Y102-L106 WeakPolarHBondContact O-CG 3.21Å; Y102-L106 PolarHBondContact O-N 3.23Å; Y102-L119 HydrophobicContact CD1-CD2 3.78Å; Y102-N122 HydrophobicContact CD1-CB 4.36Å; Y102-N122 HydrophobicContact CD2-CB 4.22Å; Y102-N122 HydrophobicContact CE1-CB 3.91Å; Y102-N122 HydrophobicContact CE2-CB 3.75Å; Y102-R123 HydrophobicContact CD2-CB 4.3Å; Y102-R123 HydrophobicContact CG-CB 4.49Å
103T93.1Very high89.1Confident39 Ų3973.9 Ų73.924%0.23936%0.356CS..Hα-helixtrans-71.7-40.4176.2-58.40000111.2V99 V100 A101 A105 L106 N107 R123V99-T103 VanDerWaalsContact O-CB 3.27Å; V99-T103 WeakPolarHBondContact O-CB 3.43Å; V99-T103 PolarHBondContact O-N 3.34Å; V99-T103 PolarHBondContact O-OG1 2.93Å; V100-T103 PolarHBondContact O-N 3.3Å; A101-T103 VanDerWaalsContact C-N 3.3Å; A101-T103 PolarHBondContact O-N 3.37Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 3.2Å; T103-L106 PolarHBondContact O-N 3.13Å; T103-N107 PolarHBondContact O-N 3.22Å; T103-N107 PolarHBondContact O-ND2 2.84Å; T103-R123 VanDerWaalsContact OG1-CD 3.3Å; T103-R123 WeakPolarHBondContact OG1-CD 3.23Å; T103-R123 PolarHBondContact OG1-NH1 3.16Å
104A91.3Very high88.6Confident36 Ų3673.2 Ų73.230%0.29836%0.355SS..Hα-helixtrans-59.8-41.9172.200000111.1L82 V100 A101 N107 K108L82-A104 HydrophobicContact CD1-CB 4.2Å; L82-A104 HydrophobicContact CD2-CB 4.38Å; V100-A104 WeakPolarHBondContact O-CB 3.42Å; V100-A104 PolarHBondContact O-N 2.9Å; A101-A104 PolarHBondContact O-N 3.09Å; A104-N107 PolarHBondContact O-N 3.13Å; A104-K108 PolarHBondContact O-N 3.16Å
105A90.8Very high88.1Confident0 Ų071.2 Ų71.20%034%0.344CS..Hα-helixtrans-61-45.2175.400000112.2A79 L82 A101 Y102 T103 N107 K108 L119A79-A105 HydrophobicContact CB-CB 4.34Å; L82-A105 HydrophobicContact CB-CB 3.7Å; L82-A105 HydrophobicContact CD1-CB 4.35Å; A101-A105 PolarHBondContact O-N 2.98Å; Y102-A105 PolarHBondContact O-N 3.24Å; T103-A105 VanDerWaalsContact C-N 3.29Å; T103-A105 PolarHBondContact O-N 3.2Å; A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.42Å; A105-K108 WeakPolarHBondContact O-CB 3.41Å; A105-K108 PolarHBondContact O-N 3.24Å; A105-L119 HydrophobicContact CB-CD1 3.66Å; A105-L119 HydrophobicContact CB-CD2 3.62Å; A105-L119 HydrophobicContact CB-CG 4.29Å
106L89.7Confident87.8Confident29 Ų2970.7 Ų70.715%0.15235%0.345CS..Hα-helixtrans-64.5-32.4176.6-73.3166.1000112.6Y102 T103 K108 K109 N116 L119 L120 R123Y102-L106 WeakPolarHBondContact O-CG 3.21Å; Y102-L106 PolarHBondContact O-N 3.23Å; T103-L106 PolarHBondContact O-N 3.13Å; L106-K108 PolarHBondContact O-N 3.36Å; L106-K109 PolarHBondContact O-N 3.3Å; L106-N116 HydrophobicContact CD2-CB 4.4Å; L106-L119 HydrophobicContact CD1-CB 4.43Å; L106-L119 HydrophobicContact CD2-CB 3.76Å; L106-L119 HydrophobicContact CD2-CD1 4.14Å; L106-L119 HydrophobicContact CG-CB 3.92Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L106-L120 HydrophobicContact CD1-CD2 3.71Å; L106-L120 HydrophobicContact CD1-CG 4.18Å; L106-L120 HydrophobicContact CD2-CD2 4.35Å; L106-L120 HydrophobicContact CD2-CG 4.07Å; L106-R123 VanDerWaalsContact CD1-CZ 3.48Å
107N89.6Confident87.3Confident116 Ų11663.7 Ų63.762%0.6232%0.315SS*.Hα-helixtrans-70.4-17.9177.8-71.5-15.6000113.4T103 A104 A105 K109T103-N107 PolarHBondContact O-N 3.22Å; T103-N107 PolarHBondContact O-ND2 2.84Å; A104-N107 PolarHBondContact O-N 3.13Å; A105-N107 VanDerWaalsContact C-N 3.28Å; A105-N107 PolarHBondContact O-N 3.42Å; N107-K109 PolarHBondContact O-N 3.32Å
108K86.4Confident87Confident90 Ų9060.1 Ų60.139%0.39131%0.307SS..THydrogen-bonded Turntrans-69.9-9.6172.4-64.3-62.6-173.2160.40113.2Q78 A79 L82 A104 A105 L106 C110Q78-K108 HydrophobicContact CB-CG 4.44Å; A79-K108 HydrophobicContact CB-CB 4.46Å; L82-K108 HydrophobicContact CD1-CG 4.06Å; A104-K108 PolarHBondContact O-N 3.16Å; A105-K108 WeakPolarHBondContact O-CB 3.41Å; A105-K108 PolarHBondContact O-N 3.24Å; L106-K108 PolarHBondContact O-N 3.36Å; K108-C110 PolarHBondContact O-N 3.4Å
109K75.1Confident86.7Confident178 Ų17860.1 Ų60.177%0.77431%0.307SS*.  trans50.951.9173.3-64.1-178.7-179.4178.60113.3L106 N107L106-K109 PolarHBondContact O-N 3.3Å; N107-K109 PolarHBondContact O-N 3.32Å
110C78.8Confident86.4Confident5 Ų559.9 Ų59.93%0.03431%0.305CS..  trans-61.2146.2173.9-51.80000111P75 E76 A79 K108 D112 L115 N116P75-C110 PolarHBondContact O-SG 3.28Å; E76-C110 HydrophobicContact CG-CB 4.32Å; A79-C110 WeakPolarHBondContact CB-SG 3.29Å; K108-C110 PolarHBondContact O-N 3.4Å; C110-D112 PolarHBondContact O-N 3.16Å; C110-L115 HydrophobicContact CB-CD2 4.5Å; C110-N116 PolarHBondContact O-ND2 3.11Å
111E77.8Confident86.1Confident175 Ų17556.3 Ų56.382%0.81828%0.284SS*.SBendtrans-73.5-19175.3-61.8-170.2164.400112.2E76 Q113E76-E111 PolarHBondContact OE1-N 3.12Å; E111-Q113 PolarHBondContact O-N 3.45Å; E111-Q113 VanDerWaalsContact O-N 3.07Å
112D80.9Confident85.9Confident61 Ų6158.1 Ų58.133%0.32629%0.293SS..  trans-69.2102.3179.1-173.8-9.3000112.1C110 E114 L115 N116C110-D112 PolarHBondContact O-N 3.16Å; D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.15Å; D112-E114 WeakPolarHBondContact OD1-CA 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.47Å; D112-E114 PolarHBondContact OD1-N 3.42Å; D112-L115 HydrophobicContact CB-CB 3.9Å; D112-L115 PolarHBondContact O-N 3.1Å; D112-L115 PolarHBondContact OD1-N 3.33Å; D112-L115 VanDerWaalsContact OD1-N 3.12Å; D112-L115 WeakPolarHBondContact OD2-CB 3.39Å; D112-N116 PolarHBondContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 3.26Å; D112-N116 VanDerWaalsContact O-ND2 3.15Å
113Q80.1Confident85.8Confident156 Ų15659.5 Ų59.573%0.72930%0.298SS*.Hα-helixtrans-63.4-31.9176.8-66-175.9-1600112.9E111 A117E111-Q113 PolarHBondContact O-N 3.45Å; E111-Q113 VanDerWaalsContact O-N 3.07Å; Q113-A117 VanDerWaalsContact O-CB 3.28Å; Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.47Å
114E81Confident85.6Confident139 Ų13957.7 Ų57.765%0.6529%0.287SS*.Hα-helixtrans-71.4-43.4178.9-63.1-168.7168.500110.8D112 A117 V118D112-E114 VanDerWaalsContact C-N 3.29Å; D112-E114 PolarHBondContact O-N 3.15Å; D112-E114 WeakPolarHBondContact OD1-CA 3.24Å; D112-E114 WeakPolarHBondContact OD1-CB 3.47Å; D112-E114 PolarHBondContact OD1-N 3.42Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.91Å; E114-V118 WeakPolarHBondContact O-CG2 3.36Å; E114-V118 PolarHBondContact O-N 2.95Å
115L83.8Confident85.5Confident13 Ų1357 Ų577%0.06828%0.281CS..Hα-helixtrans-61.9-47.6175.7-178.461.9000111.3A79 K80 K83 C110 D112 A117 V118 L119A79-L115 HydrophobicContact CB-CD2 3.96Å; K80-L115 HydrophobicContact CG-CD1 4.4Å; K80-L115 HydrophobicContact CG-CD2 4.11Å; K83-L115 HydrophobicContact CD-CD1 3.94Å; C110-L115 HydrophobicContact CB-CD2 4.5Å; D112-L115 HydrophobicContact CB-CB 3.9Å; D112-L115 PolarHBondContact O-N 3.1Å; D112-L115 PolarHBondContact OD1-N 3.33Å; D112-L115 VanDerWaalsContact OD1-N 3.12Å; D112-L115 WeakPolarHBondContact OD2-CB 3.39Å; L115-A117 PolarHBondContact O-N 2.99Å; L115-V118 PolarHBondContact O-N 2.92Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.14Å
116N85.5Confident85.6Confident36 Ų3657 Ų5719%0.19328%0.281CS..Hα-helixtrans-57.9-39.5176.8-74.9-31.8000111.7L106 C110 D112 L119 L120L106-N116 HydrophobicContact CD2-CB 4.4Å; C110-N116 PolarHBondContact O-ND2 3.11Å; D112-N116 PolarHBondContact O-N 3.07Å; D112-N116 PolarHBondContact O-ND2 3.26Å; D112-N116 VanDerWaalsContact O-ND2 3.15Å; N116-L119 PolarHBondContact O-N 3.05Å; N116-L120 WeakPolarHBondContact O-CG 3.45Å; N116-L120 PolarHBondContact O-N 2.91Å
117A84.3Confident85.6Confident1 Ų156 Ų561%0.00828%0.276CS..Hα-helixtrans-68.6-39.5177.200000114.6Q113 E114 L115 L119 L120 T121 L143 H147Q113-A117 VanDerWaalsContact O-CB 3.28Å; Q113-A117 WeakPolarHBondContact O-CB 3.34Å; Q113-A117 PolarHBondContact O-N 3.47Å; E114-A117 WeakPolarHBondContact O-CB 3.43Å; E114-A117 PolarHBondContact O-N 2.91Å; L115-A117 PolarHBondContact O-N 2.99Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L120 PolarHBondContact O-N 3.32Å; A117-T121 WeakPolarHBondContact O-CB 3.05Å; A117-T121 PolarHBondContact O-N 2.86Å; A117-T121 PolarHBondContact O-OG1 2.82Å; A117-L143 HydrophobicContact CB-CD1 3.34Å; A117-H147 WeakPolarHBondContact CB-CE1 3.45Å; A117-H147 WeakPolarHBondContact CB-ND1 3.31Å; A117-H147 VanDerWaalsContact CB-NE2 3.34Å; A117-H147 WeakPolarHBondContact CB-NE2 3.37Å
118V86.4Confident85.6Confident65 Ų6553.5 Ų53.539%0.39426%0.259SS..Hα-helixtrans-62.3-44.4173.7170.60000109.8K83 E114 L115 T121 N122K83-V118 HydrophobicContact CD-CG1 4.47Å; E114-V118 WeakPolarHBondContact O-CG2 3.36Å; E114-V118 PolarHBondContact O-N 2.95Å; L115-V118 PolarHBondContact O-N 2.92Å; V118-T121 PolarHBondContact O-N 3.45Å; V118-N122 WeakPolarHBondContact O-CB 3.19Å; V118-N122 VanDerWaalsContact O-CG 3.31Å; V118-N122 PolarHBondContact O-N 3.45Å
119L89.6Confident85.6Confident0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-59.5-47.3177.2-74.2170.7000112.2K83 Y102 A105 L106 L115 N116 A117 T121 N122 R123K83-L119 HydrophobicContact CB-CD2 3.75Å; K83-L119 HydrophobicContact CG-CD2 3.85Å; Y102-L119 HydrophobicContact CD1-CD2 3.78Å; A105-L119 HydrophobicContact CB-CD1 3.66Å; A105-L119 HydrophobicContact CB-CD2 3.62Å; A105-L119 HydrophobicContact CB-CG 4.29Å; L106-L119 HydrophobicContact CD1-CB 4.43Å; L106-L119 HydrophobicContact CD2-CB 3.76Å; L106-L119 HydrophobicContact CD2-CD1 4.14Å; L106-L119 HydrophobicContact CG-CB 3.92Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L115-L119 HydrophobicContact CG-CD1 4.2Å; L115-L119 WeakPolarHBondContact O-CG 3.35Å; L115-L119 PolarHBondContact O-N 3.14Å; N116-L119 PolarHBondContact O-N 3.05Å; A117-L119 VanDerWaalsContact C-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3Å; L119-N122 PolarHBondContact O-N 3.45Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.34Å; L119-R123 PolarHBondContact O-N 3.28Å
120L88.4Confident86.3Confident14 Ų1447.8 Ų47.87%0.07324%0.238CC..Hα-helixtrans-61-40.3175.7-73.9169.8000112.2L106 N116 A117 A124 D139 L142 L143L106-L120 HydrophobicContact CD1-CD2 3.71Å; L106-L120 HydrophobicContact CD1-CG 4.18Å; L106-L120 HydrophobicContact CD2-CD2 4.35Å; L106-L120 HydrophobicContact CD2-CG 4.07Å; N116-L120 WeakPolarHBondContact O-CG 3.45Å; N116-L120 PolarHBondContact O-N 2.91Å; A117-L120 PolarHBondContact O-N 3.32Å; L120-A124 VanDerWaalsContact O-CB 3.31Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.34Å; L120-D139 HydrophobicContact CD2-CB 4.31Å; L120-L142 HydrophobicContact CD1-CB 4.29Å; L120-L142 HydrophobicContact CD2-CB 4.39Å; L120-L142 HydrophobicContact CD2-CD1 4.37Å; L120-L143 HydrophobicContact CD1-CB 4.08Å; L120-L143 HydrophobicContact CD1-CD1 4.08Å
121T86.8Confident86.5Confident24 Ų2449.9 Ų49.915%0.14726%0.261CS..Hα-helixtrans-66.1-44.8178.5-54.30000111.3A117 V118 L119 A124 A125 L153A117-T121 WeakPolarHBondContact O-CB 3.05Å; A117-T121 PolarHBondContact O-N 2.86Å; A117-T121 PolarHBondContact O-OG1 2.82Å; V118-T121 PolarHBondContact O-N 3.45Å; L119-T121 VanDerWaalsContact C-N 3.32Å; L119-T121 PolarHBondContact O-N 3Å; T121-A124 PolarHBondContact O-N 2.85Å; T121-A125 PolarHBondContact O-N 3.1Å; T121-L153 HydrophobicContact CG2-CD1 4.49Å
122N90.6Very high86.9Confident43 Ų4346.4 Ų46.423%0.2324%0.243CC..Hα-helixtrans-69.8-36.9179.5-69-4000112.1N87 Y102 V118 L119 A125 S126N87-N122 PolarHBondContact OD1-ND2 3.35Å; Y102-N122 HydrophobicContact CD1-CB 4.36Å; Y102-N122 HydrophobicContact CD2-CB 4.22Å; Y102-N122 HydrophobicContact CE1-CB 3.91Å; Y102-N122 HydrophobicContact CE2-CB 3.75Å; V118-N122 WeakPolarHBondContact O-CB 3.19Å; V118-N122 VanDerWaalsContact O-CG 3.31Å; V118-N122 PolarHBondContact O-N 3.45Å; L119-N122 PolarHBondContact O-N 3.45Å; N122-A125 PolarHBondContact O-N 3.02Å; N122-S126 PolarHBondContact O-N 2.92Å; N122-S126 PolarHBondContact O-OG 3.41Å
123R91.9Very high86.9Confident30 Ų3048 Ų4811%0.11325%0.247CC..Hα-helixtrans-62.8-44.9172.7-172.1172.173.5-176.3-3.3111.4V99 Y102 T103 L106 L119 A125 S126 H127 D139V99-R123 HydrophobicContact CG1-CG 4.43Å; Y102-R123 HydrophobicContact CD2-CB 4.3Å; Y102-R123 HydrophobicContact CG-CB 4.49Å; T103-R123 VanDerWaalsContact OG1-CD 3.3Å; T103-R123 WeakPolarHBondContact OG1-CD 3.23Å; T103-R123 PolarHBondContact OG1-NH1 3.16Å; L106-R123 VanDerWaalsContact CD1-CZ 3.48Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.34Å; L119-R123 PolarHBondContact O-N 3.28Å; R123-A125 PolarHBondContact O-N 3.38Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 2.99Å; R123-S126 VanDerWaalsContact O-N 3.17Å; R123-H127 PolarHBondContact O-CD2 3.27Å; R123-H127 PolarHBondContact O-N 3.1Å; R123-D139 IonicContact CZ-OD1 3.33Å; R123-D139 IonicContact CZ-OD2 3.01Å; R123-D139 IonicContact NE-OD1 3.27Å; R123-D139 PolarHBondContact NE-OD1 2.94Å; R123-D139 IonicContact NE-OD2 2.65Å; R123-D139 PolarHBondContact NE-OD2 3.32Å; R123-D139 IonicContact NH2-OD1 2.7Å; R123-D139 PolarHBondContact NH2-OD1 2.94Å; R123-D139 IonicContact NH2-OD2 3.86Å
124A88.9Confident87Confident0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-63.9-39.1175.900000113L120 T121 S126 H127 F128 I136 D139 L153L120-A124 VanDerWaalsContact O-CB 3.31Å; L120-A124 WeakPolarHBondContact O-CB 3.35Å; L120-A124 PolarHBondContact O-N 3.34Å; T121-A124 PolarHBondContact O-N 2.85Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 3.48Å; A124-H127 PolarHBondContact O-N 3.36Å; A124-F128 PolarHBondContact O-N 3.37Å; A124-I136 HydrophobicContact CB-CG2 4.24Å; A124-D139 HydrophobicContact CB-CB 4.19Å; A124-L153 HydrophobicContact CB-CD2 3.18Å; A124-L153 HydrophobicContact CB-CG 4.29Å
125A88.9Confident87.2Confident22 Ų2250.3 Ų50.318%0.18224%0.244CC..Hα-helixtrans-59.7-42172.400000111.5F90 T121 N122 R123 F128 H129F90-A125 HydrophobicContact CE2-CB 4.12Å; F90-A125 HydrophobicContact CZ-CB 4.3Å; T121-A125 PolarHBondContact O-N 3.1Å; N122-A125 PolarHBondContact O-N 3.02Å; R123-A125 PolarHBondContact O-N 3.38Å; A125-F128 WeakPolarHBondContact O-CB 3.39Å; A125-F128 PolarHBondContact O-N 3.23Å; A125-H129 PolarHBondContact O-CD2 3.31Å; A125-H129 PolarHBondContact O-N 3.38Å; A125-H129 VanDerWaalsContact O-N 3.16Å
126S92.5Very high87.1Confident0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-63.6-43175.4-53.50000111.6F90 N122 R123 A124 F128 H129 L130F90-S126 WeakPolarHBondContact CD2-OG 3.44Å; N122-S126 PolarHBondContact O-N 2.92Å; N122-S126 PolarHBondContact O-OG 3.41Å; R123-S126 WeakPolarHBondContact O-CB 3.45Å; R123-S126 PolarHBondContact O-N 2.99Å; R123-S126 VanDerWaalsContact O-N 3.17Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 3.48Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.01Å; S126-H129 PolarHBondContact O-N 2.7Å; S126-L130 WeakPolarHBondContact O-CG 3.19Å; S126-L130 PolarHBondContact O-N 3.02Å; S126-L130 VanDerWaalsContact O-N 3.13Å
127H91.1Very high86.8Confident9 Ų949.4 Ų49.44%0.04224%0.239CC..Hα-helixtrans-64.3-32.8174.6-79.1-53.5000113.8R123 A124 L130 G131 K132 Y135 I136 D139R123-H127 PolarHBondContact O-CD2 3.27Å; R123-H127 PolarHBondContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.36Å; H127-L130 CarbonylContact O-C 3.57Å; H127-L130 PolarHBondContact O-N 2.86Å; H127-G131 PolarHBondContact O-N 3.04Å; H127-G131 VanDerWaalsContact O-N 3.09Å; H127-K132 HydrophobicContact CB-CB 4.44Å; H127-K132 PolarHBondContact O-N 3.14Å; H127-Y135 AromaticContact CE1-CG 3.86Å; H127-Y135 AromaticContact NE2-CG 3.98Å; H127-I136 HydrophobicContact CB-CG1 3.82Å; H127-D139 IonicContact CD2-OD2 3.86Å
128F88Confident86.7Confident62 Ų6252.1 Ų52.127%0.27226%0.258SS..Hα-helixtrans-62.9-47.1173.9174.2-92.9000111.6A124 A125 S126 L130 G131 I136 L156 H159 L160A124-F128 PolarHBondContact O-N 3.37Å; A125-F128 WeakPolarHBondContact O-CB 3.39Å; A125-F128 PolarHBondContact O-N 3.23Å; S126-F128 VanDerWaalsContact C-N 3.31Å; S126-F128 PolarHBondContact O-N 3.01Å; F128-L130 PolarHBondContact O-N 3.43Å; F128-G131 PolarHBondContact O-N 3.28Å; F128-I136 HydrophobicContact CB-CD1 3.87Å; F128-I136 HydrophobicContact CD2-CD1 4.44Å; F128-L156 HydrophobicContact CB-CD2 3.46Å; F128-L156 VanDerWaalsContact CB-CD2 3.46Å; F128-L156 HydrophobicContact CB-CG 3.99Å; F128-L156 HydrophobicContact CD1-CD1 4.3Å; F128-L156 HydrophobicContact CD1-CG 4.47Å; F128-L156 HydrophobicContact CD2-CD1 4.18Å; F128-L156 HydrophobicContact CD2-CD2 4.02Å; F128-L156 HydrophobicContact CD2-CG 3.58Å; F128-L156 HydrophobicContact CE2-CD1 4.48Å; F128-L156 HydrophobicContact CE2-CG 4.16Å; F128-L156 HydrophobicContact CG-CD1 4.08Å; F128-L156 HydrophobicContact CG-CD2 3.85Å; F128-L156 HydrophobicContact CG-CG 3.77Å; F128-H159 HydrophobicContact CE2-CB 4.38Å; F128-L160 HydrophobicContact CD2-CD1 3.77Å; F128-L160 HydrophobicContact CD2-CD2 3.83Å; F128-L160 HydrophobicContact CD2-CG 3.81Å; F128-L160 HydrophobicContact CE2-CD1 4.19Å; F128-L160 HydrophobicContact CE2-CD2 3.58Å; F128-L160 HydrophobicContact CE2-CG 3.68Å
129H87.6Confident86.6Confident95 Ų9549.2 Ų49.244%0.4424%0.24SC..Hα-helixtrans-63.9-28.2175.2-72.9-68.7000113F90 Y95 A125 S126 G131F90-H129 AromaticContact CE2-CD2 3.91Å; F90-H129 AromaticContact CZ-CD2 3.67Å; F90-H129 AromaticContact CZ-NE2 3.72Å; Y95-H129 HydrophobicContact CD1-CB 3.81Å; Y95-H129 HydrophobicContact CD2-CB 3.62Å; Y95-H129 HydrophobicContact CE1-CB 3.77Å; Y95-H129 AromaticContact CE1-CD2 3.61Å; Y95-H129 AromaticContact CE1-CG 3.66Å; Y95-H129 HydrophobicContact CE2-CB 3.59Å; Y95-H129 HydrophobicContact CG-CB 3.73Å; Y95-H129 AromaticContact CZ-CD2 3.97Å; Y95-H129 AromaticContact CZ-CG 3.59Å; Y95-H129 AromaticContact CZ-ND1 3.95Å; A125-H129 PolarHBondContact O-CD2 3.31Å; A125-H129 PolarHBondContact O-N 3.38Å; A125-H129 VanDerWaalsContact O-N 3.16Å; S126-H129 PolarHBondContact O-N 2.7Å; H129-G131 VanDerWaalsContact C-N 3.32Å
130L88.8Confident85.9Confident53 Ų5349.3 Ų49.328%0.27724%0.241SC..THydrogen-bonded Turntrans-82.4-3.2173.1-66.7173.8000114.2K96 V99 S126 H127 F128 K132K96-L130 HydrophobicContact CG-CD1 4.38Å; K96-L130 HydrophobicContact CG-CD2 3.98Å; V99-L130 HydrophobicContact CG2-CD1 4.18Å; S126-L130 WeakPolarHBondContact O-CG 3.19Å; S126-L130 PolarHBondContact O-N 3.02Å; S126-L130 VanDerWaalsContact O-N 3.13Å; H127-L130 CarbonylContact O-C 3.57Å; H127-L130 PolarHBondContact O-N 2.86Å; F128-L130 PolarHBondContact O-N 3.43Å; L130-K132 HydrophobicContact CB-CD 4.46Å; L130-K132 HydrophobicContact CB-CG 4.1Å; L130-K132 PolarHBondContact O-N 3.28Å
131G84.4Confident85.4Confident50 Ų5055 Ų5552%0.51527%0.267SS..THydrogen-bonded Turntrans69.110.9-176.300000114.7H127 F128 H129 K133H127-G131 PolarHBondContact O-N 3.04Å; H127-G131 VanDerWaalsContact O-N 3.09Å; F128-G131 PolarHBondContact O-N 3.28Å; H129-G131 VanDerWaalsContact C-N 3.32Å; G131-K133 PolarHBondContact O-N 3.34Å
132K85.7Confident84.9Confident101 Ų10159.1 Ų59.144%0.43929%0.288SS..  trans-86.370.1-174.2-70.1-168.6178.3-175.90112.1H127 L130 R134 Y135H127-K132 HydrophobicContact CB-CB 4.44Å; H127-K132 PolarHBondContact O-N 3.14Å; L130-K132 HydrophobicContact CB-CD 4.46Å; L130-K132 HydrophobicContact CB-CG 4.1Å; L130-K132 PolarHBondContact O-N 3.28Å; K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å; K132-R134 VanDerWaalsContact O-N 3.14Å; K132-Y135 HydrophobicContact CB-CD2 3.82Å; K132-Y135 HydrophobicContact CB-CE2 4.35Å; K132-Y135 HydrophobicContact CD-CD2 4.23Å; K132-Y135 HydrophobicContact CD-CE2 4.09Å; K132-Y135 PolarHBondContact O-N 3.27Å
133K80.4Confident84Confident94 Ų9458.1 Ų58.141%0.40928%0.282SS..Hα-helixtrans-55.8-33.1-171.7-54.7-172.2-170.9-172.20115.8G131 Y135 I136 L137 L160 L162G131-K133 PolarHBondContact O-N 3.34Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.16Å; K133-I136 PolarHBondContact O-N 3.11Å; K133-L137 PolarHBondContact O-N 3.26Å; K133-L160 HydrophobicContact CD-CB 4.45Å; K133-L160 HydrophobicContact CD-CD1 4.43Å; K133-L160 HydrophobicContact CD-CD2 4.39Å; K133-L160 HydrophobicContact CG-CD1 4.04Å; K133-L160 HydrophobicContact CG-CD2 4.43Å; K133-L162 HydrophobicContact CB-CD1 4.37Å; K133-L162 HydrophobicContact CD-CD2 4.09Å
134R82.6Confident82.7Confident216 Ų21658.1 Ų58.182%0.81529%0.291SS*.Hα-helixtrans-63.3-37.8-177.1-65.9-176.1-175.4172.71.4112.8K132 L137 S138K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å; K132-R134 VanDerWaalsContact O-N 3.14Å; R134-L137 PolarHBondContact O-N 2.87Å; R134-S138 PolarHBondContact O-N 3.11Å
135Y84.6Confident81.2Confident128 Ų12860 Ų6050%0.50230%0.301SS..Hα-helixtrans-73-33.4-177.6-63-90.7000111.8H127 K132 K133 L137 S138 D139H127-Y135 AromaticContact CE1-CG 3.86Å; H127-Y135 AromaticContact NE2-CG 3.98Å; K132-Y135 HydrophobicContact CB-CD2 3.82Å; K132-Y135 HydrophobicContact CB-CE2 4.35Å; K132-Y135 HydrophobicContact CD-CD2 4.23Å; K132-Y135 HydrophobicContact CD-CE2 4.09Å; K132-Y135 PolarHBondContact O-N 3.27Å; K133-Y135 VanDerWaalsContact C-N 3.33Å; K133-Y135 PolarHBondContact O-N 3.16Å; Y135-L137 VanDerWaalsContact C-N 3.3Å; Y135-L137 PolarHBondContact O-N 2.91Å; Y135-S138 WeakPolarHBondContact O-CB 3.45Å; Y135-S138 PolarHBondContact O-N 3.48Å; Y135-D139 WeakPolarHBondContact O-CB 3.37Å; Y135-D139 PolarHBondContact O-N 3.44Å
136I82.1Confident79.3Confident0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-60.9-41.5174.8-52.6171.5000110.8A124 H127 F128 K133 D139 T140 L156 L157 L160A124-I136 HydrophobicContact CB-CG2 4.24Å; H127-I136 HydrophobicContact CB-CG1 3.82Å; F128-I136 HydrophobicContact CB-CD1 3.87Å; F128-I136 HydrophobicContact CD2-CD1 4.44Å; K133-I136 PolarHBondContact O-N 3.11Å; I136-D139 PolarHBondContact O-N 3.07Å; I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 2.72Å; I136-T140 PolarHBondContact O-OG1 2.97Å; I136-L156 HydrophobicContact CG2-CD2 4.41Å; I136-L157 HydrophobicContact CB-CD2 4.21Å; I136-L157 HydrophobicContact CG2-CD2 3.59Å; I136-L157 HydrophobicContact CG2-CG 4.08Å; I136-L160 HydrophobicContact CD1-CD1 3.56Å
137L78.8Confident77.8Confident31 Ų3166.3 Ų66.316%0.16233%0.328CS..Hα-helixtrans-64.8-44.2176.3-71.4170.4000111.5K133 R134 Y135 D139 T140 Q141 L157 L162 L168K133-L137 PolarHBondContact O-N 3.26Å; R134-L137 PolarHBondContact O-N 2.87Å; Y135-L137 VanDerWaalsContact C-N 3.3Å; Y135-L137 PolarHBondContact O-N 2.91Å; L137-D139 PolarHBondContact O-N 3.24Å; L137-T140 PolarHBondContact O-N 3.37Å; L137-Q141 WeakPolarHBondContact O-CG 3.36Å; L137-Q141 PolarHBondContact O-N 3.17Å; L137-L157 HydrophobicContact CD2-CD1 4Å; L137-L157 HydrophobicContact CD2-CD2 3.65Å; L137-L157 HydrophobicContact CD2-CG 4.49Å; L137-L157 HydrophobicContact CG-CD2 4.07Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; L137-L162 HydrophobicContact CD2-CD1 4.39Å; L137-L162 HydrophobicContact CG-CD1 4.36Å; L137-L168 HydrophobicContact CD2-CD1 4.07Å
138S83.6Confident76.3Confident57 Ų5770.9 Ų70.940%0.39935%0.353SS..Hα-helixtrans-59.4-46.1175.3-168.50000111.4R134 Y135 T140 Q141 L142R134-S138 PolarHBondContact O-N 3.11Å; Y135-S138 WeakPolarHBondContact O-CB 3.45Å; Y135-S138 PolarHBondContact O-N 3.48Å; S138-T140 VanDerWaalsContact C-N 3.31Å; S138-T140 PolarHBondContact O-N 3.15Å; S138-Q141 PolarHBondContact O-N 3.45Å; S138-L142 VanDerWaalsContact O-CG 3.31Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å; S138-L142 PolarHBondContact O-N 3.18Å
139D83.2Confident75Confident4 Ų468.5 Ų68.52%0.02135%0.346CS..Hα-helixtrans-65.3-35.8179.8-71.8-4000111.9L120 R123 A124 H127 Y135 I136 L137 L143 L153L120-D139 HydrophobicContact CD2-CB 4.31Å; R123-D139 IonicContact CZ-OD1 3.33Å; R123-D139 IonicContact CZ-OD2 3.01Å; R123-D139 IonicContact NE-OD1 3.27Å; R123-D139 PolarHBondContact NE-OD1 2.94Å; R123-D139 IonicContact NE-OD2 2.65Å; R123-D139 PolarHBondContact NE-OD2 3.32Å; R123-D139 IonicContact NH2-OD1 2.7Å; R123-D139 PolarHBondContact NH2-OD1 2.94Å; R123-D139 IonicContact NH2-OD2 3.86Å; A124-D139 HydrophobicContact CB-CB 4.19Å; H127-D139 IonicContact CD2-OD2 3.86Å; Y135-D139 WeakPolarHBondContact O-CB 3.37Å; Y135-D139 PolarHBondContact O-N 3.44Å; I136-D139 PolarHBondContact O-N 3.07Å; L137-D139 PolarHBondContact O-N 3.24Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 PolarHBondContact O-N 3.45Å; D139-L143 VanDerWaalsContact O-N 3.11Å; D139-L153 HydrophobicContact CB-CD2 4.35Å
140T75.6Confident73.9Confident2 Ų264.1 Ų64.11%0.01233%0.326CS..Hα-helixtrans-66.9-38.7174.9-52.80000111.6I136 L137 S138 L153 L157I136-T140 WeakPolarHBondContact O-CB 3.49Å; I136-T140 PolarHBondContact O-N 2.72Å; I136-T140 PolarHBondContact O-OG1 2.97Å; L137-T140 PolarHBondContact O-N 3.37Å; S138-T140 VanDerWaalsContact C-N 3.31Å; S138-T140 PolarHBondContact O-N 3.15Å; T140-L153 HydrophobicContact CG2-CB 4.35Å; T140-L157 HydrophobicContact CG2-CD1 4.05Å
141Q76.9Confident72.8Confident133 Ų13365.7 Ų65.762%0.62133%0.334SS*.Hα-helixtrans-69.5-43.2176.5-72.9174.3-21.700111.7L137 S138 L143 G144L137-Q141 WeakPolarHBondContact O-CG 3.36Å; L137-Q141 PolarHBondContact O-N 3.17Å; S138-Q141 PolarHBondContact O-N 3.45Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 3.39Å; Q141-G144 PolarHBondContact O-N 2.95Å
142L76.9Confident71.8Confident112 Ų11266.7 Ų66.759%0.58633%0.333SS*.Hα-helixtrans-61.9-36.3178.5-75170.8000112.7L120 S138 G144L120-L142 HydrophobicContact CD1-CB 4.29Å; L120-L142 HydrophobicContact CD2-CB 4.39Å; L120-L142 HydrophobicContact CD2-CD1 4.37Å; S138-L142 VanDerWaalsContact O-CG 3.31Å; S138-L142 WeakPolarHBondContact O-CG 3.41Å; S138-L142 PolarHBondContact O-N 3.18Å; L142-G144 PolarHBondContact O-N 2.88Å
143L72.4Confident70.9Confident22 Ų2262 Ų6212%0.11531%0.313CS..Hα-helixtrans-65.9-25.4179.9-175.256.1000112.9A117 L120 D139 Q141 H147 V150 L153A117-L143 HydrophobicContact CB-CD1 3.34Å; L120-L143 HydrophobicContact CD1-CB 4.08Å; L120-L143 HydrophobicContact CD1-CD1 4.08Å; D139-L143 WeakPolarHBondContact O-CB 3.26Å; D139-L143 PolarHBondContact O-N 3.45Å; D139-L143 VanDerWaalsContact O-N 3.11Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 3.39Å; L143-H147 HydrophobicContact CD1-CB 3.77Å; L143-H147 HydrophobicContact CD2-CB 4.48Å; L143-H147 HydrophobicContact CG-CB 3.97Å; L143-V150 HydrophobicContact CB-CG2 4.31Å; L143-V150 HydrophobicContact CD2-CB 4.33Å; L143-V150 HydrophobicContact CD2-CG2 3.55Å; L143-V150 HydrophobicContact CG-CG2 3.67Å; L143-L153 HydrophobicContact CD2-CD1 3.36Å
144G64.8Low70.1Confident30 Ų3058.2 Ų58.231%0.30930%0.297SS..  trans67144.8-175.700000112.5Q141 L142 M146 H147 V150Q141-G144 PolarHBondContact O-N 2.95Å; L142-G144 PolarHBondContact O-N 2.88Å; G144-M146 PolarHBondContact O-N 2.99Å; G144-H147 PolarHBondContact O-N 3.38Å; G144-V150 WeakPolarHBondContact O-CG2 3.4Å
145L56.2Low69.2Low40 Ų4052.7 Ų52.721%0.20928%0.283CS..THydrogen-bonded Turntrans-68.38.1-169-62.1158.8000115.3V150 Q171 C172L145-V150 HydrophobicContact CD2-CG1 4.44Å; L145-Q171 HydrophobicContact CD1-CB 3.49Å; L145-Q171 VanDerWaalsContact CD1-CB 3.49Å; L145-C172 HydrophobicContact CD2-CB 3.71Å
146M49.9Very low68.2Low105 Ų10548.3 Ų48.352%0.51727%0.268SS..THydrogen-bonded Turntrans-105.9-11.5-172.3-59.6-118.373.500113.3G144 S175 F179G144-M146 PolarHBondContact O-N 2.99Å; M146-S175 WeakPolarHBondContact CE-O 3.18Å; M146-F179 HydrophobicContact CE-CB 4.22Å
147H60.8Low67.5Low49 Ų4948.3 Ų48.323%0.22727%0.268CS..SBendtrans-94.7139.7-176.8-168-85000112.9A117 L143 G144 G149 V150A117-H147 WeakPolarHBondContact CB-CE1 3.45Å; A117-H147 WeakPolarHBondContact CB-ND1 3.31Å; A117-H147 VanDerWaalsContact CB-NE2 3.34Å; A117-H147 WeakPolarHBondContact CB-NE2 3.37Å; L143-H147 HydrophobicContact CD1-CB 3.77Å; L143-H147 HydrophobicContact CD2-CB 4.48Å; L143-H147 HydrophobicContact CG-CB 3.97Å; G144-H147 PolarHBondContact O-N 3.38Å; H147-G149 PolarHBondContact ND1-N 3.37Å; H147-G149 PolarHBondContact O-N 2.96Å; H147-V150 HydrophobicContact CB-CG2 4.37Å; H147-V150 WeakPolarHBondContact O-CB 3.35Å; H147-V150 WeakPolarHBondContact O-CG2 3.49Å; H147-V150 PolarHBondContact O-N 2.91Å
148N59.6Low66.7Low104 Ų10450.7 Ų50.756%0.55628%0.281SS*.THydrogen-bonded Turntrans-55.4-25.9-178.6-73.2-38.1000114.3V150N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 2.67Å
149G60.3Low65.6Low12 Ų1254 Ų5412%0.12429%0.29CS..THydrogen-bonded Turntrans-67.9-22177.100000114.7H147 L151 S152 L153H147-G149 PolarHBondContact ND1-N 3.37Å; H147-G149 PolarHBondContact O-N 2.96Å; G149-L151 PolarHBondContact O-N 3.42Å; G149-S152 PolarHBondContact O-N 3.27Å; G149-S152 VanDerWaalsContact O-N 3.11Å; G149-L153 PolarHBondContact O-N 2.92Å
150V65.3Low64.7Low4 Ų455.2 Ų55.22%0.02430%0.296CS..Hα-helixtrans-60.4-32.9-177179.20000111.8L143 G144 L145 H147 N148 S152 L153 L154L143-V150 HydrophobicContact CB-CG2 4.31Å; L143-V150 HydrophobicContact CD2-CB 4.33Å; L143-V150 HydrophobicContact CD2-CG2 3.55Å; L143-V150 HydrophobicContact CG-CG2 3.67Å; G144-V150 WeakPolarHBondContact O-CG2 3.4Å; L145-V150 HydrophobicContact CD2-CG1 4.44Å; H147-V150 HydrophobicContact CB-CG2 4.37Å; H147-V150 WeakPolarHBondContact O-CB 3.35Å; H147-V150 WeakPolarHBondContact O-CG2 3.49Å; H147-V150 PolarHBondContact O-N 2.91Å; N148-V150 VanDerWaalsContact C-N 3.3Å; N148-V150 PolarHBondContact O-N 2.67Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.35Å; V150-L153 PolarHBondContact O-N 3.42Å; V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.28Å
151L64.6Low64.1Low86 Ų8664.4 Ų64.445%0.4534%0.336SS..Hα-helixtrans-62.7-38.6178.4-68.8172.5000112.5G149 L155 L181G149-L151 PolarHBondContact O-N 3.42Å; L151-L155 PolarHBondContact O-N 3.29Å; L151-L181 HydrophobicContact CD1-CD2 4.5Å
152S63.9Low63.4Low71 Ų7160 Ų6050%0.49732%0.317SS..Hα-helixtrans-68.2-40.1177.7-66.10000111.6G149 V150 L156G149-S152 PolarHBondContact O-N 3.27Å; G149-S152 VanDerWaalsContact O-N 3.11Å; V150-S152 VanDerWaalsContact C-N 3.33Å; V150-S152 PolarHBondContact O-N 3.35Å; S152-L156 PolarHBondContact O-N 3.07Å
153L66.8Low62.4Low2 Ų263.7 Ų63.71%0.0133%0.331CS..Hα-helixtrans-66-43.3174.1-78133.8000112.2T121 A124 D139 T140 L143 G149 V150 L155 L156 L157T121-L153 HydrophobicContact CG2-CD1 4.49Å; A124-L153 HydrophobicContact CB-CD2 3.18Å; A124-L153 HydrophobicContact CB-CG 4.29Å; D139-L153 HydrophobicContact CB-CD2 4.35Å; T140-L153 HydrophobicContact CG2-CB 4.35Å; L143-L153 HydrophobicContact CD2-CD1 3.36Å; G149-L153 PolarHBondContact O-N 2.92Å; V150-L153 PolarHBondContact O-N 3.42Å; L153-L155 PolarHBondContact O-N 2.95Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.02Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.36Å
154L64.1Low61.9Low14 Ų1469.9 Ų69.97%0.07336%0.357CS..Hα-helixtrans-61-41.1176.2-78.4167.1000112.1V150 L156 L157 N158 F165 L168 I169V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 HydrophobicContact CG1-CG 4.06Å; V150-L154 WeakPolarHBondContact O-CB 3.37Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 3.28Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.24Å; L154-L157 PolarHBondContact O-N 2.9Å; L154-N158 PolarHBondContact O-N 3.47Å; L154-F165 HydrophobicContact CB-CE2 4.42Å; L154-F165 HydrophobicContact CD2-CD2 4.36Å; L154-F165 HydrophobicContact CD2-CE2 4.25Å; L154-F165 VanDerWaalsContact O-CE2 3.31Å; L154-F165 WeakPolarHBondContact O-CE2 3.38Å; L154-L168 HydrophobicContact CD2-CB 4.28Å; L154-I169 HydrophobicContact CD2-CG1 4.46Å
155L63.3Low61.4Low100 Ų10070.5 Ų70.552%0.52435%0.351SS..Hα-helixtrans-62.2-40.5174.9-176.564.1000111.5L151 L153 L157 N158 H159L151-L155 PolarHBondContact O-N 3.29Å; L153-L155 PolarHBondContact O-N 2.95Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.38Å; L155-N158 WeakPolarHBondContact O-CB 3.37Å; L155-N158 PolarHBondContact O-N 3.11Å; L155-H159 PolarHBondContact O-CD2 2.9Å; L155-H159 PolarHBondContact O-N 3.45Å; L155-H159 VanDerWaalsContact O-N 3.11Å
156L63.9Low61.4Low36 Ų3672.5 Ų72.519%0.18837%0.367CS..Hα-helixtrans-61.9-41.7176.3-140.975.4000111.8F128 I136 S152 L153 L154 H159 L160F128-L156 HydrophobicContact CB-CD2 3.46Å; F128-L156 VanDerWaalsContact CB-CD2 3.46Å; F128-L156 HydrophobicContact CB-CG 3.99Å; F128-L156 HydrophobicContact CD1-CD1 4.3Å; F128-L156 HydrophobicContact CD1-CG 4.47Å; F128-L156 HydrophobicContact CD2-CD1 4.18Å; F128-L156 HydrophobicContact CD2-CD2 4.02Å; F128-L156 HydrophobicContact CD2-CG 3.58Å; F128-L156 HydrophobicContact CE2-CD1 4.48Å; F128-L156 HydrophobicContact CE2-CG 4.16Å; F128-L156 HydrophobicContact CG-CD1 4.08Å; F128-L156 HydrophobicContact CG-CD2 3.85Å; F128-L156 HydrophobicContact CG-CG 3.77Å; I136-L156 HydrophobicContact CG2-CD2 4.41Å; S152-L156 PolarHBondContact O-N 3.07Å; L153-L156 VanDerWaalsContact O-CB 3.26Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 3.02Å; L153-L156 VanDerWaalsContact O-N 3.16Å; L154-L156 VanDerWaalsContact C-N 3.3Å; L154-L156 PolarHBondContact O-N 3.24Å; L156-H159 PolarHBondContact O-N 2.76Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.34Å
157L66.2Low61.9Low1 Ų170.9 Ų70.91%0.00537%0.366CS..Hα-helixtrans-67.2-36.8175.9-68.7172.8000112.6I136 L137 T140 L153 L154 L155 L160 K161 L162 F165 L168I136-L157 HydrophobicContact CB-CD2 4.21Å; I136-L157 HydrophobicContact CG2-CD2 3.59Å; I136-L157 HydrophobicContact CG2-CG 4.08Å; L137-L157 HydrophobicContact CD2-CD1 4Å; L137-L157 HydrophobicContact CD2-CD2 3.65Å; L137-L157 HydrophobicContact CD2-CG 4.49Å; L137-L157 HydrophobicContact CG-CD2 4.07Å; T140-L157 HydrophobicContact CG2-CD1 4.05Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.36Å; L154-L157 PolarHBondContact O-N 2.9Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L157 PolarHBondContact O-N 3.38Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-L160 VanDerWaalsContact O-N 3.11Å; L157-K161 PolarHBondContact O-N 2.83Å; L157-L162 HydrophobicContact CD2-CD1 3.63Å; L157-F165 HydrophobicContact CB-CD2 4.32Å; L157-L168 HydrophobicContact CD1-CD1 4.24Å
158N62.8Low61.7Low80 Ų8069.2 Ų69.243%0.42836%0.359SS..Hα-helixtrans-60.6-46.1174.4-173.123.2000111.3L154 L155 L160 K161 F165L154-N158 PolarHBondContact O-N 3.47Å; L155-N158 WeakPolarHBondContact O-CB 3.37Å; L155-N158 PolarHBondContact O-N 3.11Å; N158-L160 PolarHBondContact O-N 3.26Å; N158-L160 VanDerWaalsContact O-N 3.16Å; N158-K161 PolarHBondContact O-N 3.34Å; N158-F165 HydrophobicContact CB-CD2 4.46Å; N158-F165 HydrophobicContact CB-CE1 4.17Å; N158-F165 HydrophobicContact CB-CE2 3.81Å; N158-F165 HydrophobicContact CB-CZ 3.62Å
159H60.6Low61.7Low128 Ų12867.3 Ų67.359%0.59335%0.348SS*.Hα-helixtrans-58.6-28174.8-78.7-64.9000113.1F128 L155 L156 K161F128-H159 HydrophobicContact CE2-CB 4.38Å; L155-H159 PolarHBondContact O-CD2 2.9Å; L155-H159 PolarHBondContact O-N 3.45Å; L155-H159 VanDerWaalsContact O-N 3.11Å; L156-H159 PolarHBondContact O-N 2.76Å; H159-K161 VanDerWaalsContact C-N 3.34Å
160L63.3Low61.6Low29 Ų2971.5 Ų71.515%0.15237%0.368CS..THydrogen-bonded Turntrans-85.7-0.2178.7-67.2174000114.5F128 K133 I136 L156 L157 N158 L162F128-L160 HydrophobicContact CD2-CD1 3.77Å; F128-L160 HydrophobicContact CD2-CD2 3.83Å; F128-L160 HydrophobicContact CD2-CG 3.81Å; F128-L160 HydrophobicContact CE2-CD1 4.19Å; F128-L160 HydrophobicContact CE2-CD2 3.58Å; F128-L160 HydrophobicContact CE2-CG 3.68Å; K133-L160 HydrophobicContact CD-CB 4.45Å; K133-L160 HydrophobicContact CD-CD1 4.43Å; K133-L160 HydrophobicContact CD-CD2 4.39Å; K133-L160 HydrophobicContact CG-CD1 4.04Å; K133-L160 HydrophobicContact CG-CD2 4.43Å; I136-L160 HydrophobicContact CD1-CD1 3.56Å; L156-L160 WeakPolarHBondContact O-CG 3.42Å; L156-L160 PolarHBondContact O-N 3.34Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-L160 VanDerWaalsContact O-N 3.11Å; N158-L160 PolarHBondContact O-N 3.26Å; N158-L160 VanDerWaalsContact O-N 3.16Å; L160-L162 VanDerWaalsContact C-N 3.27Å; L160-L162 HydrophobicContact CB-CD1 4.1Å; L160-L162 HydrophobicContact CB-CG 4.12Å; L160-L162 HydrophobicContact CD1-CD1 4.39Å; L160-L162 PolarHBondContact O-N 3.48Å
161K63.2Low61.3Low194 Ų19475.9 Ų75.984%0.84339%0.388SS*.THydrogen-bonded Turntrans48.843.2-179.4-62.2-175.9179.4-179.20113.3L157 N158 H159L157-K161 PolarHBondContact O-N 2.83Å; N158-K161 PolarHBondContact O-N 3.34Å; H159-K161 VanDerWaalsContact C-N 3.34Å
162L61.5Low60.7Low41 Ų4172.3 Ų72.322%0.21537%0.37CS..  trans-81.5124.5180-72.2166.2000110.6K133 L137 L157 L160 K164 F165K133-L162 HydrophobicContact CB-CD1 4.37Å; K133-L162 HydrophobicContact CD-CD2 4.09Å; L137-L162 HydrophobicContact CD1-CD1 4.38Å; L137-L162 HydrophobicContact CD2-CD1 4.39Å; L137-L162 HydrophobicContact CG-CD1 4.36Å; L157-L162 HydrophobicContact CD2-CD1 3.63Å; L160-L162 VanDerWaalsContact C-N 3.27Å; L160-L162 HydrophobicContact CB-CD1 4.1Å; L160-L162 HydrophobicContact CB-CG 4.12Å; L160-L162 HydrophobicContact CD1-CD1 4.39Å; L160-L162 PolarHBondContact O-N 3.48Å; L162-K164 PolarHBondContact O-N 3.44Å; L162-K164 VanDerWaalsContact O-N 3.09Å; L162-F165 WeakPolarHBondContact O-CB 3.17Å; L162-F165 PolarHBondContact O-N 3.23Å
163E57.7Low60.1Low190 Ų19071.6 Ų71.689%0.88837%0.365SS*.THydrogen-bonded Turntrans-58-25.2-179.2-69.8177.3161.300113.8F165E163-F165 PolarHBondContact O-N 3.42Å
164K60.5Low59Low151 Ų15178 Ų7866%0.65740%0.395SS*.THydrogen-bonded Turntrans-74.4-4.7176.6-63.4-173.2178.5-174.30114.2L162 S167 L168L162-K164 PolarHBondContact O-N 3.44Å; L162-K164 VanDerWaalsContact O-N 3.09Å; K164-S167 PolarHBondContact O-N 2.96Å; K164-L168 PolarHBondContact O-N 3.33Å
165F55.5Low58.2Low43 Ų4379.1 Ų79.119%0.18940%0.404CS..Hα-helixtrans-60.3-42.3177176.5-115.7000112.8L154 L157 N158 L162 E163 S167 L168 I169L154-F165 HydrophobicContact CB-CE2 4.42Å; L154-F165 HydrophobicContact CD2-CD2 4.36Å; L154-F165 HydrophobicContact CD2-CE2 4.25Å; L154-F165 VanDerWaalsContact O-CE2 3.31Å; L154-F165 WeakPolarHBondContact O-CE2 3.38Å; L157-F165 HydrophobicContact CB-CD2 4.32Å; N158-F165 HydrophobicContact CB-CD2 4.46Å; N158-F165 HydrophobicContact CB-CE1 4.17Å; N158-F165 HydrophobicContact CB-CE2 3.81Å; N158-F165 HydrophobicContact CB-CZ 3.62Å; L162-F165 WeakPolarHBondContact O-CB 3.17Å; L162-F165 PolarHBondContact O-N 3.23Å; E163-F165 PolarHBondContact O-N 3.42Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 3.23Å; F165-L168 PolarHBondContact O-N 2.84Å; F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 3.98Å; F165-I169 HydrophobicContact CD2-CG1 4.3Å; F165-I169 HydrophobicContact CE1-CD1 3.11Å; F165-I169 HydrophobicContact CE1-CG1 4.33Å; F165-I169 HydrophobicContact CE2-CD1 3.6Å; F165-I169 HydrophobicContact CE2-CG1 4Å; F165-I169 HydrophobicContact CG-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CD1 3.16Å; F165-I169 HydrophobicContact CZ-CG1 4.04Å; F165-I169 WeakPolarHBondContact O-CG1 3.41Å; F165-I169 PolarHBondContact O-N 3.03Å
166C56Low57.3Low82 Ų8278.1 Ų78.155%0.55440%0.397SS*.Hα-helixtrans-63.5-37.3-179.3-65.70000112.3N170C166-N170 WeakPolarHBondContact O-CB 3.31Å; C166-N170 VanDerWaalsContact O-CG 3.23Å; C166-N170 PolarHBondContact O-N 2.96Å; C166-N170 VanDerWaalsContact O-N 3.07Å; C166-N170 PolarHBondContact O-ND2 3.42Å
167S59.4Low56.4Low71 Ų7187.1 Ų87.150%0.49743%0.428SS..Hα-helixtrans-66.6-42.9177.1174.70000111.9K164 F165 N170 Q171K164-S167 PolarHBondContact O-N 2.96Å; F165-S167 VanDerWaalsContact C-N 3.31Å; F165-S167 PolarHBondContact O-N 3.23Å; S167-N170 PolarHBondContact O-N 2.9Å; S167-Q171 PolarHBondContact O-N 3.11Å; S167-Q171 VanDerWaalsContact O-N 3.1Å
168L57.8Low55.3Low15 Ų1592.9 Ų92.98%0.07946%0.463CS..Hα-helixtrans-69.1-37.5178.1-77.2163000112.6L137 L154 L157 K164 F165 C172L137-L168 HydrophobicContact CD2-CD1 4.07Å; L154-L168 HydrophobicContact CD2-CB 4.28Å; L157-L168 HydrophobicContact CD1-CD1 4.24Å; K164-L168 PolarHBondContact O-N 3.33Å; F165-L168 PolarHBondContact O-N 2.84Å; L168-C172 VanDerWaalsContact O-CB 3.28Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.17Å
169I59.6Low54.1Low64 Ų6494.6 Ų94.633%0.32847%0.467SS..Hα-helixtrans-62.9-44.3172.9-71.5165.4000110.9L154 F165 Q171 C172 S173L154-I169 HydrophobicContact CD2-CG1 4.46Å; F165-I169 HydrophobicContact CD1-CD1 3.53Å; F165-I169 HydrophobicContact CD2-CD1 3.98Å; F165-I169 HydrophobicContact CD2-CG1 4.3Å; F165-I169 HydrophobicContact CE1-CD1 3.11Å; F165-I169 HydrophobicContact CE1-CG1 4.33Å; F165-I169 HydrophobicContact CE2-CD1 3.6Å; F165-I169 HydrophobicContact CE2-CG1 4Å; F165-I169 HydrophobicContact CG-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CD1 3.16Å; F165-I169 HydrophobicContact CZ-CG1 4.04Å; F165-I169 WeakPolarHBondContact O-CG1 3.41Å; F165-I169 PolarHBondContact O-N 3.03Å; I169-Q171 PolarHBondContact O-N 2.98Å; I169-C172 CarbonylContact O-C 3.58Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 3.09Å; I169-C172 VanDerWaalsContact O-N 3.13Å; I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 3.44Å
170N58.2Low52.9Low100 Ų10093.5 Ų93.554%0.53547%0.472SS..Hα-helixtrans-61.9-45.9-179.4-73.9-15000110.8C166 S167 C172 S173 E174C166-N170 WeakPolarHBondContact O-CB 3.31Å; C166-N170 VanDerWaalsContact O-CG 3.23Å; C166-N170 PolarHBondContact O-N 2.96Å; C166-N170 VanDerWaalsContact O-N 3.07Å; C166-N170 PolarHBondContact O-ND2 3.42Å; S167-N170 PolarHBondContact O-N 2.9Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 2.95Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.49Å; N170-E174 PolarHBondContact O-N 3.4Å
171Q57.9Low51.7Low96 Ų9695.4 Ų95.445%0.44948%0.482SS..Hα-helixtrans-63.1-37.1173-70.4-178.1-49.500112.5L145 S167 I169 E174 S175L145-Q171 HydrophobicContact CD1-CB 3.49Å; L145-Q171 VanDerWaalsContact CD1-CB 3.49Å; S167-Q171 PolarHBondContact O-N 3.11Å; S167-Q171 VanDerWaalsContact O-N 3.1Å; I169-Q171 PolarHBondContact O-N 2.98Å; Q171-E174 PolarHBondContact O-N 3.24Å; Q171-S175 WeakPolarHBondContact O-CB 3.42Å; Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.88Å
172C53.2Low50.5Low11 Ų1195.3 Ų95.37%0.07448%0.476CS..Hα-helixtrans-62.2-45.4175.2-161.70000110.5L145 L168 I169 N170 E174 S175 Q176L145-C172 HydrophobicContact CD2-CB 3.71Å; L168-C172 VanDerWaalsContact O-CB 3.28Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 3.17Å; I169-C172 CarbonylContact O-C 3.58Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 3.09Å; I169-C172 VanDerWaalsContact O-N 3.13Å; N170-C172 VanDerWaalsContact C-N 3.32Å; N170-C172 PolarHBondContact O-N 2.95Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.28Å; C172-S175 CarbonylContact O-C 3.48Å; C172-S175 WeakPolarHBondContact O-CA 3.44Å; C172-S175 WeakPolarHBondContact O-CB 3.44Å; C172-S175 PolarHBondContact O-N 2.98Å; C172-S175 VanDerWaalsContact O-N 3.12Å; C172-Q176 VanDerWaalsContact O-CB 3.26Å; C172-Q176 WeakPolarHBondContact O-CB 3.31Å; C172-Q176 PolarHBondContact O-N 3.46Å
173S51.7Low49.8Very low55 Ų5598.6 Ų98.639%0.38550%0.501SS..Hα-helixtrans-65.9-31.8179.973.10000112.9I169 N170 Q176I169-S173 WeakPolarHBondContact O-CB 3.25Å; I169-S173 PolarHBondContact O-N 3.41Å; I169-S173 PolarHBondContact O-OG 3.44Å; N170-S173 PolarHBondContact O-N 3.41Å; N170-S173 PolarHBondContact O-OG 3.49Å; S173-Q176 PolarHBondContact O-N 3.16Å
174E43.6Very low49.1Very low138 Ų13892.9 Ų92.965%0.64548%0.482SS*.Hα-helixtrans-68.8-41.4169.6-75.5-178.3152.700111.7N170 Q171 C172 Q176N170-E174 PolarHBondContact O-N 3.4Å; Q171-E174 PolarHBondContact O-N 3.24Å; C172-E174 VanDerWaalsContact C-N 3.32Å; C172-E174 PolarHBondContact O-N 3.28Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.22Å
175S46.1Very low48.5Very low36 Ų3690 Ų9025%0.25248%0.476SS..Hα-helixtrans-69.5-27.2175-53.80000112.5M146 Q171 C172 R177 V178M146-S175 WeakPolarHBondContact CE-O 3.18Å; Q171-S175 WeakPolarHBondContact O-CB 3.42Å; Q171-S175 PolarHBondContact O-N 3.29Å; Q171-S175 PolarHBondContact O-OG 2.88Å; C172-S175 CarbonylContact O-C 3.48Å; C172-S175 WeakPolarHBondContact O-CA 3.44Å; C172-S175 WeakPolarHBondContact O-CB 3.44Å; C172-S175 PolarHBondContact O-N 2.98Å; C172-S175 VanDerWaalsContact O-N 3.12Å; S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.04Å; S175-V178 PolarHBondContact O-N 3.01Å
176Q45.3Very low48Very low80 Ų8093.3 Ų93.337%0.37450%0.495SS..THydrogen-bonded Turntrans-75-10.9-178.6-142.41571300113.6C172 S173 E174 V178 L181C172-Q176 VanDerWaalsContact O-CB 3.26Å; C172-Q176 WeakPolarHBondContact O-CB 3.31Å; C172-Q176 PolarHBondContact O-N 3.46Å; S173-Q176 PolarHBondContact O-N 3.16Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.22Å; Q176-V178 PolarHBondContact O-N 3.45Å; Q176-L181 VanDerWaalsContact NE2-CD1 3.32Å
177R43.4Very low47.6Very low224 Ų22491.6 Ų91.685%0.84549%0.485SS*.THydrogen-bonded Turntrans-64.7-15.5170.6-75.5-176.6173.8171.2-0.2112.9S175S175-R177 VanDerWaalsContact C-N 3.27Å; S175-R177 PolarHBondContact O-N 3.04Å
178V43.5Very low47.1Very low122 Ų12290.3 Ų90.374%0.73948%0.478SS*.THydrogen-bonded Turntrans-105.6-27.4-179.1-179.20000113.3S175 Q176S175-V178 PolarHBondContact O-N 3.01Å; Q176-V178 PolarHBondContact O-N 3.45Å
179F38.7Very low46.9Very low116 Ų11696.7 Ų96.751%0.50951%0.505SS..SBendtrans-112.986.8178-150.9-95.2000110.6M146 L181M146-F179 HydrophobicContact CE-CB 4.22Å; F179-L181 PolarHBondContact O-N 3.45Å
180C35.2Very low46.3Very low105 Ų105103.1 Ų103.171%0.70953%0.525SS*.  trans-50.2105164.7-730000109.5R182C180-R182 VanDerWaalsContact C-N 3.26Å; C180-R182 PolarHBondContact O-N 2.98Å
181L37.6Very low46.3Very low69 Ų69101.3 Ų101.336%0.36152%0.516SS..  trans-52.999153.6-83165.7000106.4L151 Q176 F179 P183 L186L151-L181 HydrophobicContact CD1-CD2 4.5Å; Q176-L181 VanDerWaalsContact NE2-CD1 3.32Å; F179-L181 PolarHBondContact O-N 3.45Å; L181-P183 WeakPolarHBondContact O-CD 3.37Å; L181-L186 HydrophobicContact CD2-CD1 4.41Å
182R38.1Very low46.5Very low192 Ų192101.5 Ų101.573%0.72552%0.519SS*.  trans-55.8116.1172.1-74.6-173.5-1691674.6107.3C180 S184 V185C180-R182 VanDerWaalsContact C-N 3.26Å; C180-R182 PolarHBondContact O-N 2.98Å; R182-S184 PolarHBondContact O-N 3.46Å; R182-V185 PolarHBondContact O-N 3.28Å
183P47.1Very low47.1Very low111 Ų111110.8 Ų110.872%0.72155%0.553SS**Hα-helixtrans-59.2-12.2179-25.336.2000113.9L181 S187L181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-S187 WeakPolarHBondContact O-CB 3.49Å; P183-S187 PolarHBondContact O-N 3.49Å; P183-S187 PolarHBondContact O-OG 3.37Å
184S43.3Very low48Very low70 Ų70116.1 Ų116.149%0.4957%0.565SS.*Hα-helixtrans-72.7-31-177.856.40000115R182 S187 A188R182-S184 PolarHBondContact O-N 3.46Å; S184-S187 VanDerWaalsContact C-OG 3.31Å; S184-S187 WeakPolarHBondContact CA-OG 2.99Å; S184-S187 PolarHBondContact O-OG 2.96Å; S184-A188 VanDerWaalsContact O-CB 3.27Å; S184-A188 WeakPolarHBondContact O-CB 3.39Å; S184-A188 PolarHBondContact O-N 3.4Å
185V48.1Very low49.3Very low89 Ų89117.3 Ų117.354%0.53956%0.563SS.*Hα-helixtrans-86.5-38.7-173.5-175.50000112.3R182 A188 K189R182-V185 PolarHBondContact O-N 3.28Å; V185-A188 PolarHBondContact O-N 2.84Å; V185-K189 PolarHBondContact O-N 2.86Å
186L45.3Very low50.6Low113 Ų113117 Ų11759%0.59256%0.563SS**Hα-helixtrans-67.6-38.1172.7-73.5169.5000111.3L181 R190L181-L186 HydrophobicContact CD2-CD1 4.41Å; L186-R190 VanDerWaalsContact O-CB 3.25Å; L186-R190 WeakPolarHBondContact O-CB 3.27Å; L186-R190 PolarHBondContact O-N 2.91Å
187S45.8Very low52Low47 Ų47116.1 Ų116.133%0.32957%0.569SS.*Hα-helixtrans-65.2-40.4170.957.70000111.5P183 S184 R190 N191P183-S187 WeakPolarHBondContact O-CB 3.49Å; P183-S187 PolarHBondContact O-N 3.49Å; P183-S187 PolarHBondContact O-OG 3.37Å; S184-S187 VanDerWaalsContact C-OG 3.31Å; S184-S187 WeakPolarHBondContact CA-OG 2.99Å; S184-S187 PolarHBondContact O-OG 2.96Å; S187-R190 PolarHBondContact O-N 3.43Å; S187-N191 WeakPolarHBondContact O-CB 3.5Å; S187-N191 PolarHBondContact O-N 2.78Å; S187-N191 PolarHBondContact O-ND2 3.18Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å; S187-N191 PolarHBondContact O-OD1 3.28Å
188A50Low53.9Low43 Ų43109.3 Ų109.336%0.35555%0.547SS..Hα-helixtrans-61.5-46.9177.200000113.5S184 V185 N191 N192S184-A188 VanDerWaalsContact O-CB 3.27Å; S184-A188 WeakPolarHBondContact O-CB 3.39Å; S184-A188 PolarHBondContact O-N 3.4Å; V185-A188 PolarHBondContact O-N 2.84Å; A188-N191 PolarHBondContact O-N 3.01Å; A188-N192 WeakPolarHBondContact O-CB 3.46Å; A188-N192 VanDerWaalsContact O-CG 3.28Å; A188-N192 PolarHBondContact O-N 3.23Å
189K52.8Low55.6Low149 Ų149111 Ų11165%0.64854%0.54SS*.Hα-helixtrans-65.9-39.6176-79.2-179177.5175.20112.3V185 N192 R193V185-K189 PolarHBondContact O-N 2.86Å; K189-N192 PolarHBondContact O-N 3.36Å; K189-R193 PolarHBondContact O-N 3.43Å; K189-R193 VanDerWaalsContact O-N 3.11Å
190R48.5Very low57.8Low200 Ų200110.1 Ų110.176%0.75554%0.54SS*.Hα-helixtrans-65.2-40174.1-173.9174.2179.8163-0.7111.9L186 S187 R193 R194L186-R190 VanDerWaalsContact O-CB 3.25Å; L186-R190 WeakPolarHBondContact O-CB 3.27Å; L186-R190 PolarHBondContact O-N 2.91Å; S187-R190 PolarHBondContact O-N 3.43Å; R190-R193 PolarHBondContact O-N 3.11Å; R190-R194 WeakPolarHBondContact O-CB 3.45Å; R190-R194 PolarHBondContact O-N 3.29Å
191N56.3Low60.2Low62 Ų62107.4 Ų107.433%0.33253%0.525SS..Hα-helixtrans-68.1-38.9177.6-71.8-19.6000111.5S187 A188 R194 R195S187-N191 WeakPolarHBondContact O-CB 3.5Å; S187-N191 PolarHBondContact O-N 2.78Å; S187-N191 PolarHBondContact O-ND2 3.18Å; S187-N191 VanDerWaalsContact O-ND2 3.11Å; S187-N191 PolarHBondContact O-OD1 3.28Å; A188-N191 PolarHBondContact O-N 3.01Å; N191-R194 PolarHBondContact O-N 3.05Å; N191-R195 WeakPolarHBondContact O-CB 3.34Å; N191-R195 VanDerWaalsContact O-CG 3.24Å; N191-R195 WeakPolarHBondContact O-CG 3.38Å; N191-R195 PolarHBondContact O-N 3.03Å
192N63.4Low62.6Low99 Ų99111.9 Ų111.953%0.52954%0.538SS..Hα-helixtrans-66.3-42.5175.6-73.9-9.2000111.9A188 K189 R195 A196A188-N192 WeakPolarHBondContact O-CB 3.46Å; A188-N192 VanDerWaalsContact O-CG 3.28Å; A188-N192 PolarHBondContact O-N 3.23Å; K189-N192 PolarHBondContact O-N 3.36Å; N192-R195 PolarHBondContact O-N 3.35Å; N192-A196 WeakPolarHBondContact O-CB 3.24Å; N192-A196 PolarHBondContact O-N 3.3Å
193R65.1Low65Low206 Ų206109.7 Ų109.778%0.77753%0.533SS*.Hα-helixtrans-64.6-40.6173-72.2-176177.8-173-0.8112.1K189 R190 A196 A197K189-R193 PolarHBondContact O-N 3.43Å; K189-R193 VanDerWaalsContact O-N 3.11Å; R190-R193 PolarHBondContact O-N 3.11Å; R193-A196 PolarHBondContact O-N 2.93Å; R193-A197 WeakPolarHBondContact O-CB 3.07Å; R193-A197 PolarHBondContact O-N 3.47Å
194R70.7Confident66.8Low168 Ų168107.2 Ų107.263%0.63452%0.522SS*.Hα-helixtrans-62.4-44.8174.9-165.2179.488.6-176.35.5111.5R190 N191 A197 E198R190-R194 WeakPolarHBondContact O-CB 3.45Å; R190-R194 PolarHBondContact O-N 3.29Å; N191-R194 PolarHBondContact O-N 3.05Å; R194-A197 PolarHBondContact O-N 3.4Å; R194-E198 WeakPolarHBondContact O-CB 3.49Å; R194-E198 PolarHBondContact O-N 2.94Å
195R72.1Confident69.1Low163 Ų163110.6 Ų110.662%0.61553%0.528SS*.Hα-helixtrans-64.8-36.4176-73.9174.5179.6-174.1-0.2112.3N191 N192 R199N191-R195 WeakPolarHBondContact O-CB 3.34Å; N191-R195 VanDerWaalsContact O-CG 3.24Å; N191-R195 WeakPolarHBondContact O-CG 3.38Å; N191-R195 PolarHBondContact O-N 3.03Å; N192-R195 PolarHBondContact O-N 3.35Å; R195-R199 WeakPolarHBondContact O-CB 3.28Å; R195-R199 VanDerWaalsContact O-CG 3.25Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.49Å
196A72.2Confident71.1Confident29 Ų29109.2 Ų109.224%0.2453%0.526CS..Hα-helixtrans-66.3-52.2173.600000111.5N192 R193 E198 R199 D200N192-A196 WeakPolarHBondContact O-CB 3.24Å; N192-A196 PolarHBondContact O-N 3.3Å; R193-A196 PolarHBondContact O-N 2.93Å; A196-E198 VanDerWaalsContact C-N 3.28Å; A196-E198 PolarHBondContact O-N 2.86Å; A196-R199 WeakPolarHBondContact O-CB 3.32Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-R199 VanDerWaalsContact O-N 3.1Å; A196-D200 PolarHBondContact O-N 3.06Å
197A75.6Confident73.3Confident61 Ų61111 Ų11150%0.50453%0.529SS..Hα-helixtrans-59.7-37.6176.700000112.5R193 R194 D200 A201R193-A197 WeakPolarHBondContact O-CB 3.07Å; R193-A197 PolarHBondContact O-N 3.47Å; R194-A197 PolarHBondContact O-N 3.4Å; A197-D200 PolarHBondContact O-N 3.25Å; A197-A201 VanDerWaalsContact O-CB 3.23Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.48Å
198E83.1Confident75.3Confident81 Ų81115.4 Ų115.438%0.37954%0.544SS..Hα-helixtrans-68.6-38.7176-170.7178174.900112R194 A196 R202R194-E198 WeakPolarHBondContact O-CB 3.49Å; R194-E198 PolarHBondContact O-N 2.94Å; A196-E198 VanDerWaalsContact C-N 3.28Å; A196-E198 PolarHBondContact O-N 2.86Å; E198-R202 WeakPolarHBondContact O-CB 3.5Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.74Å; E198-R202 IonicContact OE1-CZ 3.82Å; E198-R202 IonicContact OE1-NE 2.73Å; E198-R202 IonicContact OE1-NH2 2.84Å; E198-R202 PolarHBondContact OE1-NH2 3.06Å
199R79.4Confident77.3Confident159 Ų159121.1 Ų121.160%0.656%0.561SS**Hα-helixtrans-63.2-44.7172.4-77.1-176-57.6163.84.5111.5R195 A196 R202 K203R195-R199 WeakPolarHBondContact O-CB 3.28Å; R195-R199 VanDerWaalsContact O-CG 3.25Å; R195-R199 WeakPolarHBondContact O-CG 3.36Å; R195-R199 PolarHBondContact O-N 3.49Å; A196-R199 WeakPolarHBondContact O-CB 3.32Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-R199 VanDerWaalsContact O-N 3.1Å; R199-R202 PolarHBondContact O-N 3.36Å; R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 3.43Å
200D83.7Confident79.1Confident96 Ų96120.9 Ų120.951%0.51356%0.56SS.*Hα-helixtrans-68.2-40-179.6-64-24000111.3A196 A197 R202 K203 A204A196-D200 PolarHBondContact O-N 3.06Å; A197-D200 PolarHBondContact O-N 3.25Å; D200-R202 PolarHBondContact O-N 3.36Å; D200-K203 PolarHBondContact O-N 3.11Å; D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 2.91Å
201A85.5Confident81.1Confident48 Ų48116.4 Ų116.440%0.39755%0.551SS.*Hα-helixtrans-63.6-39.6172.400000112.4A197 A204 K205A197-A201 VanDerWaalsContact O-CB 3.23Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 3.48Å; A201-A204 PolarHBondContact O-N 3.09Å; A201-K205 WeakPolarHBondContact O-CB 3.3Å; A201-K205 WeakPolarHBondContact O-CG 3.48Å; A201-K205 PolarHBondContact O-N 3.27Å
202R87.8Confident82.6Confident164 Ų164118.4 Ų118.462%0.61956%0.558SS**Hα-helixtrans-63.9-43174-75.8175.1-171.5-163.44.1111.4E198 R199 D200 K205 A206E198-R202 WeakPolarHBondContact O-CB 3.5Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.74Å; E198-R202 IonicContact OE1-CZ 3.82Å; E198-R202 IonicContact OE1-NE 2.73Å; E198-R202 IonicContact OE1-NH2 2.84Å; E198-R202 PolarHBondContact OE1-NH2 3.06Å; R199-R202 PolarHBondContact O-N 3.36Å; D200-R202 PolarHBondContact O-N 3.36Å; R202-K205 PolarHBondContact O-N 3.42Å; R202-A206 WeakPolarHBondContact O-CB 3.31Å; R202-A206 PolarHBondContact O-N 3.34Å
203K88.3Confident84Confident146 Ų146115.3 Ų115.364%0.63555%0.549SS*.Hα-helixtrans-63.9-42.6175.5-73.7178.7-179.5-178.80111.9R199 D200 A206 K207R199-K203 WeakPolarHBondContact O-CG 3.41Å; R199-K203 PolarHBondContact O-N 3.43Å; D200-K203 PolarHBondContact O-N 3.11Å; K203-A206 PolarHBondContact O-N 3.22Å; K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.5Å
204A85.9Confident85.2Confident59 Ų59110.6 Ų110.649%0.48854%0.536SS..Hα-helixtrans-62-48.4176.500000111.5D200 A201 A206 K207 E208D200-A204 WeakPolarHBondContact O-CB 3.48Å; D200-A204 PolarHBondContact O-N 2.91Å; A201-A204 PolarHBondContact O-N 3.09Å; A204-A206 VanDerWaalsContact C-N 3.33Å; A204-A206 PolarHBondContact O-N 2.97Å; A204-K207 PolarHBondContact O-N 2.89Å; A204-E208 WeakPolarHBondContact O-CB 3.25Å; A204-E208 PolarHBondContact O-N 3Å
205K91.1Very high86.1Confident140 Ų140108.6 Ų108.661%0.60953%0.532SS*.Hα-helixtrans-61.4-38.7175.8-73.3-178.5179.2-172.20112.7A201 R202 K209A201-K205 WeakPolarHBondContact O-CB 3.3Å; A201-K205 WeakPolarHBondContact O-CG 3.48Å; A201-K205 PolarHBondContact O-N 3.27Å; R202-K205 PolarHBondContact O-N 3.42Å; K205-K209 WeakPolarHBondContact O-CB 3.3Å; K205-K209 VanDerWaalsContact O-CG 3.31Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 2.96Å
206A90.3Very high86.9Confident60 Ų60106.2 Ų106.250%0.49653%0.528SS..Hα-helixtrans-66.2-41.3175.800000111.8R202 K203 A204 K210R202-A206 WeakPolarHBondContact O-CB 3.31Å; R202-A206 PolarHBondContact O-N 3.34Å; K203-A206 PolarHBondContact O-N 3.22Å; A204-A206 VanDerWaalsContact C-N 3.33Å; A204-A206 PolarHBondContact O-N 2.97Å; A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.65Å
207K90.6Very high87.7Confident151 Ų151108.1 Ų108.166%0.65754%0.543SS*.Hα-helixtrans-64.4-44.1176.1-172.7178.5178.5-177.30111.6K203 A204 K210 L211K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.5Å; A204-K207 PolarHBondContact O-N 2.89Å; K207-K210 PolarHBondContact O-N 3.27Å; K207-L211 WeakPolarHBondContact O-CB 3.25Å; K207-L211 PolarHBondContact O-N 2.91Å
208E88.8Confident88.4Confident140 Ų140110.3 Ų110.365%0.65455%0.546SS*.Hα-helixtrans-63-45177.4-171.7178.7-170.200111.7A204 K210 L211 H212A204-E208 WeakPolarHBondContact O-CB 3.25Å; A204-E208 PolarHBondContact O-N 3Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.32Å; E208-L211 PolarHBondContact O-N 3.29Å; E208-H212 WeakPolarHBondContact O-CB 3.1Å; E208-H212 PolarHBondContact O-N 3.21Å
209K91.8Very high88.5Confident163 Ų163108.7 Ų108.771%0.70954%0.539SS*.Hα-helixtrans-60.9-40.9174.2-75.8-178.1177.8-166.20112.7K205 H212 G213K205-K209 WeakPolarHBondContact O-CB 3.3Å; K205-K209 VanDerWaalsContact O-CG 3.31Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 2.96Å; K209-H212 PolarHBondContact O-N 3.43Å; K209-G213 PolarHBondContact O-N 2.85Å
210K91.4Very high88.9Confident144 Ų144103.3 Ų103.363%0.62653%0.534SS*.Hα-helixtrans-62.6-47176.1-172.7-178179.6-165.20111A206 K207 E208 H212 G213 E214A206-K210 WeakPolarHBondContact O-CB 3.36Å; A206-K210 PolarHBondContact O-N 2.65Å; K207-K210 PolarHBondContact O-N 3.27Å; E208-K210 VanDerWaalsContact C-N 3.34Å; E208-K210 PolarHBondContact O-N 3.32Å; K210-H212 VanDerWaalsContact C-N 3.32Å; K210-H212 PolarHBondContact O-N 2.7Å; K210-G213 PolarHBondContact O-N 3.11Å; K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 2.7Å; K210-E214 WeakPolarHBondContact O-CG 3.38Å; K210-E214 PolarHBondContact O-N 3.43Å
211L90.6Very high89.2Confident105 Ų105100.9 Ų100.955%0.5553%0.527SS..Hα-helixtrans-67-34.5-179.4-155.4140.8000111.8K207 E208 K215K207-L211 WeakPolarHBondContact O-CB 3.25Å; K207-L211 PolarHBondContact O-N 2.91Å; E208-L211 PolarHBondContact O-N 3.29Å; L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.41Å
212H88.2Confident89.5Confident105 Ų105100.5 Ų100.549%0.48652%0.518SS..Hα-helixtrans-65.2-47.2172.1-170.864.1000111.9E208 K209 K210 E214 K215 E216E208-H212 WeakPolarHBondContact O-CB 3.1Å; E208-H212 PolarHBondContact O-N 3.21Å; K209-H212 PolarHBondContact O-N 3.43Å; K210-H212 VanDerWaalsContact C-N 3.32Å; K210-H212 PolarHBondContact O-N 2.7Å; H212-E214 PolarHBondContact O-N 3.3Å; H212-K215 WeakPolarHBondContact O-CB 3.45Å; H212-K215 PolarHBondContact O-N 2.97Å; H212-E216 IonicContact NE2-OE1 2.59Å; H212-E216 PolarHBondContact NE2-OE1 2.95Å; H212-E216 WeakPolarHBondContact O-CG 3.45Å; H212-E216 PolarHBondContact O-N 3.49Å
213G90.9Very high89.6Confident33 Ų3395.3 Ų95.334%0.3450%0.5SS..Hα-helixtrans-63.3-38.9176.300000113.3K209 K210 E216 A217K209-G213 PolarHBondContact O-N 2.85Å; K210-G213 PolarHBondContact O-N 3.11Å; G213-E216 PolarHBondContact O-N 3.21Å; G213-A217 WeakPolarHBondContact O-CB 3.34Å; G213-A217 PolarHBondContact O-N 2.99Å
214E90.8Very high89.8Confident107 Ų10789.9 Ų89.950%0.548%0.478SS..Hα-helixtrans-62.5-41.7172.6-74.6172.3-178.200111.6K210 H212 L218K210-E214 WeakPolarHBondContact CE-OE1 3.24Å; K210-E214 IonicContact NZ-OE1 2.7Å; K210-E214 WeakPolarHBondContact O-CG 3.38Å; K210-E214 PolarHBondContact O-N 3.43Å; H212-E214 PolarHBondContact O-N 3.3Å; E214-L218 WeakPolarHBondContact O-CB 3.35Å; E214-L218 PolarHBondContact O-N 3.36Å
215K89.6Confident90.1Very high127 Ų12787.2 Ų87.255%0.55246%0.455SS*.Hα-helixtrans-62.6-47.9175.5-176.6-174.7175.3-171.40111.5L211 H212 A217 L218 L219L211-K215 WeakPolarHBondContact O-CB 3.48Å; L211-K215 PolarHBondContact O-N 3.41Å; H212-K215 WeakPolarHBondContact O-CB 3.45Å; H212-K215 PolarHBondContact O-N 2.97Å; K215-A217 PolarHBondContact O-N 3.44Å; K215-L218 PolarHBondContact O-N 3.2Å; K215-L219 HydrophobicContact CG-CD1 4.14Å; K215-L219 HydrophobicContact CG-CG 4.37Å; K215-L219 WeakPolarHBondContact O-CB 3.45Å; K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.22Å
216E89.2Confident90.1Very high113 Ų11380.8 Ų80.853%0.52843%0.427SS..Hα-helixtrans-61.8-43.1178.9-72.4-173.4142.600112H212 G213 L218 L219 G220H212-E216 IonicContact NE2-OE1 2.59Å; H212-E216 PolarHBondContact NE2-OE1 2.95Å; H212-E216 WeakPolarHBondContact O-CG 3.45Å; H212-E216 PolarHBondContact O-N 3.49Å; G213-E216 PolarHBondContact O-N 3.21Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.34Å; E216-L219 PolarHBondContact O-N 3.2Å; E216-G220 PolarHBondContact O-N 3.31Å
217A90Very high90Very high68 Ų6881.2 Ų81.256%0.56242%0.419SS*.Hα-helixtrans-60.9-41.9175.700000111.9G213 K215 G220 A221G213-A217 WeakPolarHBondContact O-CB 3.34Å; G213-A217 PolarHBondContact O-N 2.99Å; K215-A217 PolarHBondContact O-N 3.44Å; A217-G220 PolarHBondContact O-N 3.02Å; A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.29Å
218L88.4Confident89.8Confident108 Ų10874 Ų7457%0.56539%0.388SS*.Hα-helixtrans-68.4-42.7178.5-167.1139.7000111.7E214 K215 E216 G220 A221 I222E214-L218 WeakPolarHBondContact O-CB 3.35Å; E214-L218 PolarHBondContact O-N 3.36Å; K215-L218 PolarHBondContact O-N 3.2Å; E216-L218 VanDerWaalsContact C-N 3.32Å; E216-L218 PolarHBondContact O-N 3.34Å; L218-G220 VanDerWaalsContact C-N 3.31Å; L218-G220 PolarHBondContact O-N 3.29Å; L218-A221 PolarHBondContact O-N 3.39Å; L218-A221 VanDerWaalsContact O-N 3.13Å; L218-I222 HydrophobicContact CD2-CD1 3.95Å; L218-I222 HydrophobicContact CD2-CG2 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.98Å
219L87.1Confident89.1Confident46 Ų4672.9 Ų72.924%0.24138%0.382CS..Hα-helixtrans-60.4-38.6175.3-73.2179000112.3K215 E216 A221 P239K215-L219 HydrophobicContact CG-CD1 4.14Å; K215-L219 HydrophobicContact CG-CG 4.37Å; K215-L219 WeakPolarHBondContact O-CB 3.45Å; K215-L219 VanDerWaalsContact O-CG 3.3Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.22Å; E216-L219 PolarHBondContact O-N 3.2Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.07Å; L219-P239 HydrophobicContact CD2-CB 3.59Å; L219-P239 HydrophobicContact CD2-CG 4.35Å
220G86.3Confident88.3Confident47 Ų4771.8 Ų71.849%0.48538%0.379SS..Hα-helixtrans-70.5-25175.500000114.4E216 A217 L218 K266E216-G220 PolarHBondContact O-N 3.31Å; A217-G220 PolarHBondContact O-N 3.02Å; L218-G220 VanDerWaalsContact C-N 3.31Å; L218-G220 PolarHBondContact O-N 3.29Å; G220-K266 WeakPolarHBondContact O-CD 3.47Å
221A90.9Very high87.5Confident45 Ų4570.5 Ų70.537%0.37237%0.374SS..Hα-helixtrans-89.3-16.5-17700000113.9A217 L218 L219 K266A217-A221 WeakPolarHBondContact O-CB 3.31Å; A217-A221 PolarHBondContact O-N 3.29Å; L218-A221 PolarHBondContact O-N 3.39Å; L218-A221 VanDerWaalsContact O-N 3.13Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.07Å; A221-K266 VanDerWaalsContact O-CB 3.28Å; A221-K266 WeakPolarHBondContact O-CB 3.44Å; A221-K266 PolarHBondContact O-N 3.18Å
222I91.8Very high86.9Confident40 Ų4071.9 Ų71.921%0.20538%0.378CS..EExtended strand (participates in β ladder)trans-109153.8-178.568.3176.1000112L218 V263 L264L218-I222 HydrophobicContact CD2-CD1 3.95Å; L218-I222 HydrophobicContact CD2-CG2 4.48Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 2.98Å; I222-V263 HydrophobicContact CB-CG1 4.21Å; I222-V263 HydrophobicContact CG2-CG1 4.29Å; I222-L264 CarbonylContact C-O 3.56Å; I222-L264 WeakPolarHBondContact CA-O 3.43Å
223K90.6Very high86.7Confident54 Ų5467.3 Ų67.324%0.23536%0.357CS..EExtended strand (participates in β ladder)trans-127.1134.2167.2-67.4-174.3177.9173.40108.6Y225 L264 K266K223-Y225 HydrophobicContact CB-CD2 4.41Å; K223-Y225 HydrophobicContact CB-CE2 3.48Å; K223-Y225 VanDerWaalsContact CB-CE2 3.48Å; K223-Y225 HydrophobicContact CD-CE2 4.49Å; K223-Y225 WeakPolarHBondContact CD-OH 3.39Å; K223-L264 PolarHBondContact N-O 3.4Å; K223-L264 PolarHBondContact O-N 2.82Å; K223-K266 HydrophobicContact CG-CB 4.35Å
224L92.3Very high86.6Confident33 Ų3365.7 Ų65.717%0.17334%0.341CS..EExtended strand (participates in β ladder)trans-106.2138.3-178-145.3111000109.6V237 F261 M262 V263L224-V237 HydrophobicContact CB-CB 4.25Å; L224-V237 HydrophobicContact CD2-CB 3.91Å; L224-V237 HydrophobicContact CD2-CG1 4Å; L224-V237 PolarHBondContact O-N 3.18Å; L224-F261 HydrophobicContact CD2-CB 4.18Å; L224-F261 HydrophobicContact CD2-CD1 3.63Å; L224-F261 HydrophobicContact CD2-CE1 4.29Å; L224-F261 HydrophobicContact CD2-CG 4.04Å; L224-M262 CarbonylContact C-O 3.54Å; L224-M262 WeakPolarHBondContact CA-O 3.28Å; L224-V263 HydrophobicContact CD1-CG2 3.93Å
225Y90.7Very high86.5Confident3 Ų362 Ų621%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-138.6158.7178.9-56.7-91.5000111.3K223 L234 Y235 Q236 F261 M262 L264 L275 I280K223-Y225 HydrophobicContact CB-CD2 4.41Å; K223-Y225 HydrophobicContact CB-CE2 3.48Å; K223-Y225 VanDerWaalsContact CB-CE2 3.48Å; K223-Y225 HydrophobicContact CD-CE2 4.49Å; K223-Y225 WeakPolarHBondContact CD-OH 3.39Å; Y225-L234 HydrophobicContact CD1-CB 4.48Å; Y225-Y235 CarbonylContact C-O 3.51Å; Y225-Y235 WeakPolarHBondContact CA-O 2.95Å; Y225-Q236 HydrophobicContact CD1-CB 3.85Å; Y225-Q236 HydrophobicContact CD1-CG 4.2Å; Y225-Q236 HydrophobicContact CE1-CB 3.69Å; Y225-Q236 HydrophobicContact CE1-CG 3.8Å; Y225-F261 CarbonylContact O-C 3.57Å; Y225-F261 WeakPolarHBondContact O-CA 3.47Å; Y225-M262 PolarHBondContact N-O 2.92Å; Y225-M262 PolarHBondContact O-N 3.4Å; Y225-L264 HydrophobicContact CD2-CD1 3.94Å; Y225-L264 HydrophobicContact CD2-CG 4.31Å; Y225-L264 HydrophobicContact CE2-CB 4.25Å; Y225-L264 HydrophobicContact CE2-CD1 3.77Å; Y225-L264 HydrophobicContact CE2-CG 4.3Å; Y225-L275 HydrophobicContact CE1-CD2 4.33Å; Y225-L275 WeakPolarHBondContact OH-CD1 3.38Å; Y225-I280 HydrophobicContact CE1-CG2 4.32Å
226F90.9Very high86.5Confident4 Ų459.6 Ų59.62%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-127.1156.5157.469.2-95.2000110Y235 V237 T246 H249 F252 F261 L283F226-Y235 HydrophobicContact CD2-CD2 4.27Å; F226-Y235 HydrophobicContact CD2-CG 4.47Å; F226-Y235 HydrophobicContact CE1-CG 4.18Å; F226-Y235 AromaticContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CE2 4.46Å; F226-Y235 AromaticContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CZ-CD1 4.2Å; F226-Y235 AromaticContact CZ-CD2 3.9Å; F226-Y235 HydrophobicContact CZ-CD2 3.9Å; F226-Y235 AromaticContact CZ-CG 3.51Å; F226-Y235 HydrophobicContact CZ-CG 3.51Å; F226-Y235 PolarHBondContact N-O 3.03Å; F226-Y235 PolarHBondContact O-N 3.2Å; F226-V237 HydrophobicContact CD1-CG2 3.47Å; F226-V237 VanDerWaalsContact CD1-CG2 3.47Å; F226-V237 HydrophobicContact CE1-CG2 3.86Å; F226-T246 HydrophobicContact CD1-CG2 4.31Å; F226-T246 HydrophobicContact CE1-CG2 4.31Å; F226-H249 HydrophobicContact CZ-CB 4.44Å; F226-H249 AromaticContact CZ-ND1 3.53Å; F226-F252 HydrophobicContact CB-CD2 3.8Å; F226-F252 HydrophobicContact CB-CE2 3.5Å; F226-F252 AromaticContact CD1-CD2 3.56Å; F226-F252 HydrophobicContact CD1-CD2 3.56Å; F226-F252 AromaticContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD2-CB 4.46Å; F226-F252 AromaticContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CE2 4.19Å; F226-F252 HydrophobicContact CD2-CG 4.38Å; F226-F252 AromaticContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE2-CB 4.14Å; F226-F252 AromaticContact CE2-CD2 3.97Å; F226-F252 HydrophobicContact CE2-CD2 3.97Å; F226-F252 AromaticContact CG-CD2 3.37Å; F226-F252 HydrophobicContact CG-CD2 3.37Å; F226-F252 AromaticContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CZ-CB 4.33Å; F226-F252 HydrophobicContact CZ-CD2 4.13Å; F226-F261 HydrophobicContact CB-CD1 4.35Å; F226-L283 HydrophobicContact CE1-CD1 3.44Å; F226-L283 VanDerWaalsContact CE1-CD1 3.44Å; F226-L283 HydrophobicContact CE1-CD2 4.46Å; F226-L283 HydrophobicContact CZ-CD1 3.81Å
227E88.6Confident86.6Confident70 Ų7054.5 Ų54.533%0.32729%0.289SS..EExtended strand (participates in β ladder)trans-103.4133.3-179.9-171.6161.2-15400110.2L234 M262 K278E227-L234 HydrophobicContact CB-CD2 3.79Å; E227-L234 HydrophobicContact CG-CD2 3.89Å; E227-M262 HydrophobicContact CB-CE 3.86Å; E227-K278 IonicContact OE1-NZ 3.48Å; E227-K278 PolarHBondContact OE1-NZ 2.96Å
228D86.4Confident86.5Confident0 Ų055.2 Ų55.20%028%0.284CS..EExtended strand (participates in β ladder)trans-90105163.8179.1-0.9000107.8E230 K231 E232 T233 Y235 R251D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.19Å; D228-E230 PolarHBondContact OD1-N 3.12Å; D228-K231 PolarHBondContact O-N 3.42Å; D228-E232 WeakPolarHBondContact O-CA 3.43Å; D228-E232 PolarHBondContact O-N 2.95Å; D228-T233 PolarHBondContact N-O 3.48Å; D228-T233 PolarHBondContact O-N 2.74Å; D228-Y235 HydrophobicContact CB-CD2 4.19Å; D228-Y235 HydrophobicContact CB-CE2 3.82Å; D228-R251 HydrophobicContact CB-CB 4.49Å; D228-R251 WeakPolarHBondContact OD2-CD 3.33Å; D228-R251 IonicContact OD2-NH1 3.83Å
229E73.5Confident86.3Confident115 Ų11552.7 Ų52.754%0.53727%0.274SS..THydrogen-bonded Turntrans-70.2-22-174.8-64.9-171.1173.300113.8K231 K255E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.3Å; E229-K255 WeakPolarHBondContact OE1-CE 3.33Å; E229-K255 IonicContact OE1-NZ 2.55Å; E229-K255 PolarHBondContact OE1-NZ 2.82Å; E229-K255 WeakPolarHBondContact OE2-CE 3.27Å; E229-K255 IonicContact OE2-NZ 2.59Å; E229-K255 PolarHBondContact OE2-NZ 3.48Å
230E75.9Confident86.3Confident140 Ų14058.2 Ų58.265%0.65430%0.299SS*.THydrogen-bonded Turntrans-72.3-26.4177.2-66.2-174.1164.900111.8D228 R251D228-E230 VanDerWaalsContact C-N 3.28Å; D228-E230 PolarHBondContact O-N 3.19Å; D228-E230 PolarHBondContact OD1-N 3.12Å; E230-R251 IonicContact OE2-NH1 3.72Å
231K74.9Confident86.3Confident118 Ų11857.7 Ų57.751%0.51328%0.284SS..THydrogen-bonded Turntrans-121.3-1.3-172.6-67.8-170.8173.5-170.70114.3D228 E229 T233D228-K231 PolarHBondContact O-N 3.42Å; E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.3Å; K231-T233 HydrophobicContact CB-CG2 4.02Å; K231-T233 WeakPolarHBondContact O-CG2 3.38Å; K231-T233 PolarHBondContact O-N 3.03Å; K231-T233 VanDerWaalsContact O-N 3.16Å
232E77.1Confident86.2Confident134 Ų13458.9 Ų58.963%0.62629%0.289SS*.THydrogen-bonded Turntrans49.335.3-172.5-60.5-174.5162.500112.7D228D228-E232 WeakPolarHBondContact O-CA 3.43Å; D228-E232 PolarHBondContact O-N 2.95Å
233T84.5Confident86.1Confident8 Ų861.6 Ų61.65%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-106.4139.5-177.752.40000111D228 K231 K279D228-T233 PolarHBondContact N-O 3.48Å; D228-T233 PolarHBondContact O-N 2.74Å; K231-T233 HydrophobicContact CB-CG2 4.02Å; K231-T233 WeakPolarHBondContact O-CG2 3.38Å; K231-T233 PolarHBondContact O-N 3.03Å; K231-T233 VanDerWaalsContact O-N 3.16Å; T233-K279 HydrophobicContact CG2-CB 3.86Å
234L88.8Confident86Confident0 Ų064.5 Ų64.50%032%0.321CS..EExtended strand (participates in β ladder)trans-96.6135.9178.1-62.6-177.3000111Y225 E227 M262 F274 L275 K278 K279 I280 H281Y225-L234 HydrophobicContact CD1-CB 4.48Å; E227-L234 HydrophobicContact CB-CD2 3.79Å; E227-L234 HydrophobicContact CG-CD2 3.89Å; L234-M262 HydrophobicContact CD2-CE 3.28Å; L234-F274 HydrophobicContact CD1-CD1 4.36Å; L234-F274 HydrophobicContact CD1-CE1 3.71Å; L234-F274 HydrophobicContact CD1-CZ 4.48Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L234-K278 HydrophobicContact CD1-CB 3.8Å; L234-K278 HydrophobicContact CD1-CG 4.03Å; L234-K278 HydrophobicContact CG-CB 4.1Å; L234-K278 HydrophobicContact CG-CG 4.39Å; L234-K279 PolarHBondContact N-O 3.38Å; L234-I280 CarbonylContact O-C 3.51Å; L234-I280 WeakPolarHBondContact O-CA 3.49Å; L234-H281 PolarHBondContact O-N 3.38Å
235Y89.2Confident85.8Confident29 Ų2969 Ų6911%0.11434%0.339CS..EExtended strand (participates in β ladder)trans-113.5118.4177-78.7-85.7000109.8Y225 F226 D228 H249 R251 H281 L283Y225-Y235 CarbonylContact C-O 3.51Å; Y225-Y235 WeakPolarHBondContact CA-O 2.95Å; F226-Y235 HydrophobicContact CD2-CD2 4.27Å; F226-Y235 HydrophobicContact CD2-CG 4.47Å; F226-Y235 HydrophobicContact CE1-CG 4.18Å; F226-Y235 AromaticContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CD2 3.56Å; F226-Y235 HydrophobicContact CE2-CE2 4.46Å; F226-Y235 AromaticContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CE2-CG 3.69Å; F226-Y235 HydrophobicContact CZ-CD1 4.2Å; F226-Y235 AromaticContact CZ-CD2 3.9Å; F226-Y235 HydrophobicContact CZ-CD2 3.9Å; F226-Y235 AromaticContact CZ-CG 3.51Å; F226-Y235 HydrophobicContact CZ-CG 3.51Å; F226-Y235 PolarHBondContact N-O 3.03Å; F226-Y235 PolarHBondContact O-N 3.2Å; D228-Y235 HydrophobicContact CB-CD2 4.19Å; D228-Y235 HydrophobicContact CB-CE2 3.82Å; Y235-H249 AromaticContact CE1-CE1 3.82Å; Y235-R251 HydrophobicContact CE2-CB 4.05Å; Y235-R251 HydrophobicContact CE2-CG 4.39Å; Y235-H281 CarbonylContact C-O 3.56Å; Y235-H281 VanDerWaalsContact CA-O 3.31Å; Y235-H281 WeakPolarHBondContact CA-O 3.34Å; Y235-H281 HydrophobicContact CD1-CB 3.72Å; Y235-H281 HydrophobicContact CE1-CB 3.57Å; Y235-L283 HydrophobicContact CD1-CD1 3.79Å; Y235-L283 HydrophobicContact CG-CD1 4.11Å
236Q90.1Very high85.8Confident77 Ų7769 Ų6936%0.3634%0.34SS..EExtended strand (participates in β ladder)trans-76.1130.5177.7-171.1-179.8-17.600110.1Y225 H281 L283Y225-Q236 HydrophobicContact CD1-CB 3.85Å; Y225-Q236 HydrophobicContact CD1-CG 4.2Å; Y225-Q236 HydrophobicContact CE1-CB 3.69Å; Y225-Q236 HydrophobicContact CE1-CG 3.8Å; Q236-H281 PolarHBondContact N-O 3.23Å; Q236-L283 WeakPolarHBondContact O-CD1 3.42Å; Q236-L283 PolarHBondContact O-N 3.23Å
237V90.4Very high85.7Confident5 Ų571.6 Ų71.63%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-110.2131.9178.2-178.70000109.1L224 F226 P239 M241 T246L224-V237 HydrophobicContact CB-CB 4.25Å; L224-V237 HydrophobicContact CD2-CB 3.91Å; L224-V237 HydrophobicContact CD2-CG1 4Å; L224-V237 PolarHBondContact O-N 3.18Å; F226-V237 HydrophobicContact CD1-CG2 3.47Å; F226-V237 VanDerWaalsContact CD1-CG2 3.47Å; F226-V237 HydrophobicContact CE1-CG2 3.86Å; V237-P239 WeakPolarHBondContact O-CD 3.08Å; V237-M241 HydrophobicContact CG1-CE 4Å; V237-T246 HydrophobicContact CB-CG2 4.4Å; V237-T246 HydrophobicContact CG1-CG2 3.77Å; V237-T246 HydrophobicContact CG2-CG2 3.65Å
238D87.2Confident85.7Confident83 Ų8374.8 Ų74.844%0.44437%0.369SS..  trans-70.7121.7169.2-173-13.2000110.1E240 M241D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 VanDerWaalsContact O-N 3.16Å; D238-E240 PolarHBondContact OD1-N 3.24Å; D238-M241 HydrophobicContact CB-CB 4.24Å; D238-M241 VanDerWaalsContact O-CB 3.29Å; D238-M241 WeakPolarHBondContact O-CB 3.47Å; D238-M241 PolarHBondContact O-N 3.25Å
239P85.7Confident85.8Confident55 Ų5577.3 Ų77.336%0.35738%0.38SS..THydrogen-bonded Turntrans-58.3-21175.7-24.735000115.1L219 V237 M241L219-P239 HydrophobicContact CD2-CB 3.59Å; L219-P239 HydrophobicContact CD2-CG 4.35Å; V237-P239 WeakPolarHBondContact O-CD 3.08Å; P239-M241 VanDerWaalsContact C-N 3.33Å
240E85.8Confident86.3Confident163 Ų16381 Ų8176%0.76240%0.395SS*.THydrogen-bonded Turntrans-82.7-12.6176.7-61.3-163.7161.900113D238D238-E240 PolarHBondContact O-N 3.41Å; D238-E240 VanDerWaalsContact O-N 3.16Å; D238-E240 PolarHBondContact OD1-N 3.24Å
241M86.9Confident86.8Confident35 Ų3578 Ų7817%0.17238%0.377CS..SBendtrans-74.9143.4179.6-170.9161.461.400111.6V237 D238 P239 K245 T246 L283V237-M241 HydrophobicContact CG1-CE 4Å; D238-M241 HydrophobicContact CB-CB 4.24Å; D238-M241 VanDerWaalsContact O-CB 3.29Å; D238-M241 WeakPolarHBondContact O-CB 3.47Å; D238-M241 PolarHBondContact O-N 3.25Å; P239-M241 VanDerWaalsContact C-N 3.33Å; M241-K245 HydrophobicContact CG-CB 4.02Å; M241-K245 HydrophobicContact CG-CD 3.89Å; M241-K245 HydrophobicContact CG-CG 4.22Å; M241-K245 HydrophobicContact SD-CB 4.22Å; M241-K245 HydrophobicContact SD-CD 3.52Å; M241-K245 VanDerWaalsContact SD-CD 3.52Å; M241-K245 HydrophobicContact SD-CG 3.81Å; M241-T246 WeakPolarHBondContact CE-OG1 3.28Å; M241-L283 HydrophobicContact CE-CB 4.34Å; M241-L283 HydrophobicContact CE-CD2 4.26Å
242S89.2Confident87.3Confident70 Ų7073.3 Ų73.349%0.4936%0.357SS..  trans-65.4139.7176.670.70000111.2L244 K245 T246S242-L244 PolarHBondContact O-N 3.47Å; S242-K245 PolarHBondContact O-N 3.28Å; S242-T246 PolarHBondContact O-N 3.38Å; S242-T246 PolarHBondContact O-OG1 3.07Å
243L89.2Confident87.7Confident97 Ų9772.5 Ų72.551%0.50835%0.352SS..Hα-helixtrans-54.8-37.9178.2-177.762000112K245 T246 L247 F261L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å; L243-T246 PolarHBondContact O-N 3.37Å; L243-L247 HydrophobicContact CD1-CD1 4.34Å; L243-L247 HydrophobicContact CD1-CD2 4.46Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.45Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 HydrophobicContact CG-CG 4.2Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.86Å; L243-F261 HydrophobicContact CD1-CE2 3.67Å; L243-F261 HydrophobicContact CD1-CZ 3.58Å
244L89.5Confident87.7Confident115 Ų11575.6 Ų75.660%0.60237%0.37SS*.Hα-helixtrans-56.4-45177.5-179.765.4000112.3S242 T246 L247 Q248S242-L244 PolarHBondContact O-N 3.47Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.07Å; L244-L247 PolarHBondContact O-N 3.08Å; L244-Q248 HydrophobicContact CD1-CG 4.46Å; L244-Q248 VanDerWaalsContact O-CG 3.3Å; L244-Q248 WeakPolarHBondContact O-CG 3.15Å; L244-Q248 PolarHBondContact O-N 3.38Å; L244-Q248 VanDerWaalsContact O-N 3.08Å
245K88.3Confident87.4Confident127 Ų12780.8 Ų80.855%0.55239%0.393SS*.Hα-helixtrans-67-37.1-178.7-173.9174.2169.2-157.90111.1M241 S242 L243M241-K245 HydrophobicContact CG-CB 4.02Å; M241-K245 HydrophobicContact CG-CD 3.89Å; M241-K245 HydrophobicContact CG-CG 4.22Å; M241-K245 HydrophobicContact SD-CB 4.22Å; M241-K245 HydrophobicContact SD-CD 3.52Å; M241-K245 VanDerWaalsContact SD-CD 3.52Å; M241-K245 HydrophobicContact SD-CG 3.81Å; S242-K245 PolarHBondContact O-N 3.28Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 2.98Å
246T89.1Confident87.1Confident3 Ų384.7 Ų84.72%0.01843%0.431CS..Hα-helixtrans-66.8-43.3176-45.50000112F226 V237 M241 S242 L243 L244 Q248 H249 F252 F261F226-T246 HydrophobicContact CD1-CG2 4.31Å; F226-T246 HydrophobicContact CE1-CG2 4.31Å; V237-T246 HydrophobicContact CB-CG2 4.4Å; V237-T246 HydrophobicContact CG1-CG2 3.77Å; V237-T246 HydrophobicContact CG2-CG2 3.65Å; M241-T246 WeakPolarHBondContact CE-OG1 3.28Å; S242-T246 PolarHBondContact O-N 3.38Å; S242-T246 PolarHBondContact O-OG1 3.07Å; L243-T246 PolarHBondContact O-N 3.37Å; L244-T246 VanDerWaalsContact C-N 3.32Å; L244-T246 PolarHBondContact O-N 3.07Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.44Å; T246-H249 VanDerWaalsContact O-CB 3.26Å; T246-H249 WeakPolarHBondContact O-CB 3.47Å; T246-H249 PolarHBondContact O-N 2.78Å; T246-F252 HydrophobicContact CG2-CD2 4.39Å; T246-F261 HydrophobicContact CG2-CE1 3.7Å; T246-F261 HydrophobicContact CG2-CZ 4.16Å
247L89Confident87Confident59 Ų5984.2 Ų84.231%0.30945%0.447SS..Hα-helixtrans-69.7-26179.5-65.7178.5000113.5L243 L244 H249 F252 V254 P259 F261L243-L247 HydrophobicContact CD1-CD1 4.34Å; L243-L247 HydrophobicContact CD1-CD2 4.46Å; L243-L247 HydrophobicContact CD1-CG 4.17Å; L243-L247 HydrophobicContact CD2-CD1 4.45Å; L243-L247 HydrophobicContact CG-CD1 3.93Å; L243-L247 HydrophobicContact CG-CG 4.2Å; L243-L247 VanDerWaalsContact O-CG 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.42Å; L243-L247 PolarHBondContact O-N 2.86Å; L244-L247 PolarHBondContact O-N 3.08Å; L247-H249 PolarHBondContact O-N 3.1Å; L247-F252 HydrophobicContact CD2-CD1 3.74Å; L247-F252 HydrophobicContact CD2-CE1 3.32Å; L247-F252 HydrophobicContact CD2-CZ 3.78Å; L247-V254 HydrophobicContact CD2-CG2 4.2Å; L247-P259 HydrophobicContact CD2-CB 3.58Å; L247-P259 HydrophobicContact CD2-CG 4.34Å; L247-F261 HydrophobicContact CD2-CZ 4.43Å
248Q89.6Confident86.8Confident138 Ų13888.5 Ų88.565%0.64547%0.473SS*.THydrogen-bonded Turntrans-77.4-4.6175.3-75.1176.9-10.500113.5L244 T246 K250L244-Q248 HydrophobicContact CD1-CG 4.46Å; L244-Q248 VanDerWaalsContact O-CG 3.3Å; L244-Q248 WeakPolarHBondContact O-CG 3.15Å; L244-Q248 PolarHBondContact O-N 3.38Å; L244-Q248 VanDerWaalsContact O-N 3.08Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 3.44Å; Q248-K250 PolarHBondContact O-N 3.49Å
249H87.1Confident86.9Confident52 Ų5286.7 Ų86.724%0.24147%0.466CS..SBendtrans-65.2133179-172-98.4000110.8F226 Y235 T246 L247 R251 F252 L283F226-H249 HydrophobicContact CZ-CB 4.44Å; F226-H249 AromaticContact CZ-ND1 3.53Å; Y235-H249 AromaticContact CE1-CE1 3.82Å; T246-H249 VanDerWaalsContact O-CB 3.26Å; T246-H249 WeakPolarHBondContact O-CB 3.47Å; T246-H249 PolarHBondContact O-N 2.78Å; L247-H249 PolarHBondContact O-N 3.1Å; H249-R251 PolarHBondContact ND1-N 3.41Å; H249-R251 PolarHBondContact O-N 3.13Å; H249-F252 HydrophobicContact CB-CB 4.18Å; H249-F252 PolarHBondContact O-N 3.21Å; H249-L283 HydrophobicContact CB-CD2 4.08Å; H249-L283 WeakPolarHBondContact CD2-CD2 3.36Å
250K85.7Confident87.1Confident194 Ų19488.1 Ų88.184%0.84348%0.477SS*.THydrogen-bonded Turntrans-58.7-18-173.9-65.4-175.5179.6-179.10114.9Q248Q248-K250 PolarHBondContact O-N 3.49Å
251R85.5Confident87.3Confident77 Ų7783.2 Ų83.229%0.29145%0.453SS..THydrogen-bonded Turntrans-108.31.8-179.1-58.4-63.6-171.6168-13.2113.4D228 E230 Y235 H249D228-R251 HydrophobicContact CB-CB 4.49Å; D228-R251 WeakPolarHBondContact OD2-CD 3.33Å; D228-R251 IonicContact OD2-NH1 3.83Å; E230-R251 IonicContact OE2-NH1 3.72Å; Y235-R251 HydrophobicContact CE2-CB 4.05Å; Y235-R251 HydrophobicContact CE2-CG 4.39Å; H249-R251 PolarHBondContact ND1-N 3.41Å; H249-R251 PolarHBondContact O-N 3.13Å
252F85.8Confident87.5Confident18 Ų1883.8 Ų83.88%0.07946%0.456CS..  trans-90.6123.1176.4-166.7-75.3000109.3F226 T246 L247 H249 V254 P259 F261F226-F252 HydrophobicContact CB-CD2 3.8Å; F226-F252 HydrophobicContact CB-CE2 3.5Å; F226-F252 AromaticContact CD1-CD2 3.56Å; F226-F252 HydrophobicContact CD1-CD2 3.56Å; F226-F252 AromaticContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD1-CE2 3.94Å; F226-F252 HydrophobicContact CD2-CB 4.46Å; F226-F252 AromaticContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CD2 3.58Å; F226-F252 HydrophobicContact CD2-CE2 4.19Å; F226-F252 HydrophobicContact CD2-CG 4.38Å; F226-F252 AromaticContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE1-CD2 3.93Å; F226-F252 HydrophobicContact CE2-CB 4.14Å; F226-F252 AromaticContact CE2-CD2 3.97Å; F226-F252 HydrophobicContact CE2-CD2 3.97Å; F226-F252 AromaticContact CG-CD2 3.37Å; F226-F252 HydrophobicContact CG-CD2 3.37Å; F226-F252 AromaticContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CG-CE2 3.64Å; F226-F252 HydrophobicContact CZ-CB 4.33Å; F226-F252 HydrophobicContact CZ-CD2 4.13Å; T246-F252 HydrophobicContact CG2-CD2 4.39Å; L247-F252 HydrophobicContact CD2-CD1 3.74Å; L247-F252 HydrophobicContact CD2-CE1 3.32Å; L247-F252 HydrophobicContact CD2-CZ 3.78Å; H249-F252 HydrophobicContact CB-CB 4.18Å; H249-F252 PolarHBondContact O-N 3.21Å; F252-V254 HydrophobicContact CD1-CG2 4.24Å; F252-V254 HydrophobicContact CE1-CG2 4Å; F252-P259 HydrophobicContact CE1-CB 3.81Å; F252-P259 HydrophobicContact CZ-CB 3.82Å; F252-F261 HydrophobicContact CD2-CE1 4.43Å; F252-F261 HydrophobicContact CE2-CD1 4.13Å; F252-F261 AromaticContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE1 3.42Å; F252-F261 VanDerWaalsContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE2 4.5Å; F252-F261 AromaticContact CE2-CZ 3.65Å; F252-F261 HydrophobicContact CE2-CZ 3.65Å; F252-F261 AromaticContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE2 4.16Å; F252-F261 AromaticContact CZ-CZ 3.66Å; F252-F261 HydrophobicContact CZ-CZ 3.66Å
253F84.5Confident87.6Confident118 Ų11884.7 Ų84.752%0.51846%0.459SS..  trans-114.9126.6177.6-67.9-80.8000111
254V85.9Confident87.7Confident73 Ų7380.9 Ų80.944%0.44244%0.439SS..  trans-86117.8175178.40000108.7L247 F252 P259L247-V254 HydrophobicContact CD2-CG2 4.2Å; F252-V254 HydrophobicContact CD1-CG2 4.24Å; F252-V254 HydrophobicContact CE1-CG2 4Å; V254-P259 HydrophobicContact CG2-CB 4.45Å
255K82.1Confident87.8Confident109 Ų10979.6 Ų79.647%0.47444%0.436SS..BIsolated β-bridgetrans-94.2127.1-179.3-72.7-173.2159.4-165.20111.1E229 G257 T258E229-K255 WeakPolarHBondContact OE1-CE 3.33Å; E229-K255 IonicContact OE1-NZ 2.55Å; E229-K255 PolarHBondContact OE1-NZ 2.82Å; E229-K255 WeakPolarHBondContact OE2-CE 3.27Å; E229-K255 IonicContact OE2-NZ 2.59Å; E229-K255 PolarHBondContact OE2-NZ 3.48Å; K255-G257 PolarHBondContact O-N 2.86Å; K255-T258 PolarHBondContact N-O 3.31Å; K255-T258 PolarHBondContact O-N 3.15Å; K255-T258 VanDerWaalsContact O-O 3.12Å
256A83.6Confident87.7Confident110 Ų11078.2 Ų78.291%0.90943%0.43SS*.THydrogen-bonded Turntrans49.735.2178.500000113.2T258A256-T258 VanDerWaalsContact C-N 3.26Å; A256-T258 PolarHBondContact O-N 3Å
257G86.4Confident87.6Confident67 Ų6782.9 Ų82.969%0.69145%0.454SS*.THydrogen-bonded Turntrans75.92-177.700000115.8K255K255-G257 PolarHBondContact O-N 2.86Å
258T86.9Confident87.8Confident95 Ų9581.4 Ų81.458%0.58345%0.449SS*.BIsolated β-bridgetrans-113.8119.8-179-56.40000111K255 A256K255-T258 PolarHBondContact N-O 3.31Å; K255-T258 PolarHBondContact O-N 3.15Å; K255-T258 VanDerWaalsContact O-O 3.12Å; A256-T258 VanDerWaalsContact C-N 3.26Å; A256-T258 PolarHBondContact O-N 3Å
259P89.8Confident87.8Confident46 Ų4680 Ų8030%0.29945%0.452SS..  trans-73.5135.3173.230.5-33.1000110.4L247 F252 V254 F261L247-P259 HydrophobicContact CD2-CB 3.58Å; L247-P259 HydrophobicContact CD2-CG 4.34Å; F252-P259 HydrophobicContact CE1-CB 3.81Å; F252-P259 HydrophobicContact CZ-CB 3.82Å; V254-P259 HydrophobicContact CG2-CB 4.45Å; P259-F261 HydrophobicContact CB-CE2 3.94Å; P259-F261 HydrophobicContact CG-CE2 4.4Å
260S88.9Confident88Confident85 Ų8583.5 Ų83.559%0.59447%0.466SS*.  trans-107.1134.8-179.9-170.20000110.8
261F91.1Very high88.1Confident60 Ų6074.4 Ų74.426%0.26343%0.427SS..  trans-133.7146.8175.5-64.1-80.3000109.6L224 Y225 F226 L243 T246 L247 F252 P259L224-F261 HydrophobicContact CD2-CB 4.18Å; L224-F261 HydrophobicContact CD2-CD1 3.63Å; L224-F261 HydrophobicContact CD2-CE1 4.29Å; L224-F261 HydrophobicContact CD2-CG 4.04Å; Y225-F261 CarbonylContact O-C 3.57Å; Y225-F261 WeakPolarHBondContact O-CA 3.47Å; F226-F261 HydrophobicContact CB-CD1 4.35Å; L243-F261 HydrophobicContact CD1-CE2 3.67Å; L243-F261 HydrophobicContact CD1-CZ 3.58Å; T246-F261 HydrophobicContact CG2-CE1 3.7Å; T246-F261 HydrophobicContact CG2-CZ 4.16Å; L247-F261 HydrophobicContact CD2-CZ 4.43Å; F252-F261 HydrophobicContact CD2-CE1 4.43Å; F252-F261 HydrophobicContact CE2-CD1 4.13Å; F252-F261 AromaticContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE1 3.42Å; F252-F261 VanDerWaalsContact CE2-CE1 3.42Å; F252-F261 HydrophobicContact CE2-CE2 4.5Å; F252-F261 AromaticContact CE2-CZ 3.65Å; F252-F261 HydrophobicContact CE2-CZ 3.65Å; F252-F261 AromaticContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE1 3.91Å; F252-F261 HydrophobicContact CZ-CE2 4.16Å; F252-F261 AromaticContact CZ-CZ 3.66Å; F252-F261 HydrophobicContact CZ-CZ 3.66Å; P259-F261 HydrophobicContact CB-CE2 3.94Å; P259-F261 HydrophobicContact CG-CE2 4.4Å
262M89.8Confident88.2Confident46 Ų4676.9 Ų76.923%0.22744%0.44CS..EExtended strand (participates in β ladder)trans-104.9129172.2-69.4-174.4-74.400109.8L224 Y225 E227 L234 F274L224-M262 CarbonylContact C-O 3.54Å; L224-M262 WeakPolarHBondContact CA-O 3.28Å; Y225-M262 PolarHBondContact N-O 2.92Å; Y225-M262 PolarHBondContact O-N 3.4Å; E227-M262 HydrophobicContact CB-CE 3.86Å; L234-M262 HydrophobicContact CD2-CE 3.28Å; M262-F274 HydrophobicContact SD-CE1 4.32Å; M262-F274 HydrophobicContact SD-CZ 4.08Å
263V92.4Very high88.4Confident90 Ų9081.7 Ų81.755%0.54546%0.463SS..EExtended strand (participates in β ladder)trans-110.1119.4176.6-174.70000108.2I222 L224I222-V263 HydrophobicContact CB-CG1 4.21Å; I222-V263 HydrophobicContact CG2-CG1 4.29Å; L224-V263 HydrophobicContact CD1-CG2 3.93Å
264L90.6Very high88.5Confident16 Ų1678.4 Ų78.48%0.08445%0.449CS..EExtended strand (participates in β ladder)trans-118.7138.4179.1-63.4177.2000110.2I222 K223 Y225 K266 F270 C271 F274 L275I222-L264 CarbonylContact C-O 3.56Å; I222-L264 WeakPolarHBondContact CA-O 3.43Å; K223-L264 PolarHBondContact N-O 3.4Å; K223-L264 PolarHBondContact O-N 2.82Å; Y225-L264 HydrophobicContact CD2-CD1 3.94Å; Y225-L264 HydrophobicContact CD2-CG 4.31Å; Y225-L264 HydrophobicContact CE2-CB 4.25Å; Y225-L264 HydrophobicContact CE2-CD1 3.77Å; Y225-L264 HydrophobicContact CE2-CG 4.3Å; L264-K266 PolarHBondContact O-N 3.36Å; L264-F270 HydrophobicContact CD2-CD1 4.12Å; L264-F270 HydrophobicContact CD2-CE1 3.87Å; L264-C271 HydrophobicContact CB-CB 4.43Å; L264-F274 HydrophobicContact CD1-CD1 3.85Å; L264-F274 HydrophobicContact CD1-CE1 4.27Å; L264-L275 HydrophobicContact CD1-CD2 4.32Å
265V91.8Very high88.5Confident89 Ų8976.2 Ų76.254%0.53943%0.434SS..EExtended strand (participates in β ladder)trans-73.2124170.9-176.80000108.8S268 C271V265-S268 WeakPolarHBondContact O-CB 3.37Å; V265-S268 PolarHBondContact O-N 3.42Å; V265-S268 PolarHBondContact O-OG 3.07Å; V265-C271 VanDerWaalsContact O-CB 3.28Å; V265-C271 WeakPolarHBondContact O-CB 3.04Å
266K87.1Confident88.6Confident98 Ų9875.5 Ų75.543%0.42644%0.443SS..THydrogen-bonded Turntrans-56136.6178.1-178.3173.3177.2-172.70110G220 A221 K223 L264 S268G220-K266 WeakPolarHBondContact O-CD 3.47Å; A221-K266 VanDerWaalsContact O-CB 3.28Å; A221-K266 WeakPolarHBondContact O-CB 3.44Å; A221-K266 PolarHBondContact O-N 3.18Å; K223-K266 HydrophobicContact CG-CB 4.35Å; L264-K266 PolarHBondContact O-N 3.36Å; K266-S268 PolarHBondContact O-N 2.86Å
267D87Confident88.5Confident100 Ų10077 Ų7754%0.53543%0.431SS..THydrogen-bonded Turntrans61.16178-53.9-37.9000116.7K272D267-K272 WeakPolarHBondContact O-CE 3.38Å
268S92.3Very high88.3Confident28 Ų2876.5 Ų76.520%0.19641%0.41CS..  trans-63.9150173.167.60000111.4V265 K266 F270 C271 K272V265-S268 WeakPolarHBondContact O-CB 3.37Å; V265-S268 PolarHBondContact O-N 3.42Å; V265-S268 PolarHBondContact O-OG 3.07Å; K266-S268 PolarHBondContact O-N 2.86Å; S268-F270 PolarHBondContact O-N 3.42Å; S268-C271 WeakPolarHBondContact O-CB 3.14Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.11Å; S268-C271 WeakPolarHBondContact OG-CB 3.34Å; S268-C271 PolarHBondContact OG-N 3.41Å; S268-K272 PolarHBondContact O-N 3.23Å; S268-K272 VanDerWaalsContact O-N 3.1Å
269P90.1Very high88Confident110 Ų11079.4 Ų79.471%0.71442%0.415SS*.Hα-helixtrans-56.3-42.2179.9-21.530.7000111.9K272 Q273P269-K272 PolarHBondContact O-N 2.59Å; P269-Q273 PolarHBondContact O-N 2.89Å; P269-Q273 VanDerWaalsContact O-N 3.08Å
270F90.4Very high87.6Confident124 Ų12480.7 Ų80.754%0.54442%0.418SS..Hα-helixtrans-61.9-46176.1-179.6-98000112.1L264 S268 K272 Q273 F274L264-F270 HydrophobicContact CD2-CD1 4.12Å; L264-F270 HydrophobicContact CD2-CE1 3.87Å; S268-F270 PolarHBondContact O-N 3.42Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.7Å; F270-Q273 PolarHBondContact O-N 2.98Å; F270-F274 HydrophobicContact CE1-CB 4.2Å; F270-F274 HydrophobicContact CE1-CD2 4.48Å; F270-F274 HydrophobicContact CE1-CG 4.31Å; F270-F274 HydrophobicContact CZ-CB 4.33Å; F270-F274 HydrophobicContact CZ-CD2 4.12Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 2.76Å
271C87.3Confident87.1Confident3 Ų381 Ų812%0.0241%0.41CS..Hα-helixtrans-59-42.4178.4-178.10000111.6L264 V265 S268 L275L264-C271 HydrophobicContact CB-CB 4.43Å; V265-C271 VanDerWaalsContact O-CB 3.28Å; V265-C271 WeakPolarHBondContact O-CB 3.04Å; S268-C271 WeakPolarHBondContact O-CB 3.14Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.11Å; S268-C271 WeakPolarHBondContact OG-CB 3.34Å; S268-C271 PolarHBondContact OG-N 3.41Å; C271-L275 WeakPolarHBondContact O-CB 3.08Å; C271-L275 WeakPolarHBondContact O-CG 3.45Å; C271-L275 PolarHBondContact O-N 3.46Å; C271-L275 VanDerWaalsContact SG-CD1 3.58Å
272K87.9Confident86.3Confident129 Ų12981.3 Ų81.356%0.56143%0.43SS*.Hα-helixtrans-65.6-43.7178.2-67176.9-176.1173.60112.3D267 S268 P269 F270 S276D267-K272 WeakPolarHBondContact O-CE 3.38Å; S268-K272 PolarHBondContact O-N 3.23Å; S268-K272 VanDerWaalsContact O-N 3.1Å; P269-K272 PolarHBondContact O-N 2.59Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.7Å; K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.12Å; K272-S276 VanDerWaalsContact O-N 3.17Å
273Q90.3Very high84.9Confident120 Ų12083.7 Ų83.756%0.56144%0.443SS*.Hα-helixtrans-65.9-51.2177.9-175.4177.7-2.400111.2P269 F270 L275 S276P269-Q273 PolarHBondContact O-N 2.89Å; P269-Q273 VanDerWaalsContact O-N 3.08Å; F270-Q273 PolarHBondContact O-N 2.98Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.41Å; Q273-S276 WeakPolarHBondContact O-CB 3.46Å; Q273-S276 PolarHBondContact O-N 3.37Å; Q273-S276 VanDerWaalsContact O-N 3.08Å; Q273-S276 PolarHBondContact O-OG 3.49Å
274F86.9Confident84.6Confident49 Ų4983.4 Ų83.422%0.21544%0.438CS..Hα-helixtrans-59.8-41.5-178.4-176.3-101.8000112.7L234 M262 L264 F270 S276L234-F274 HydrophobicContact CD1-CD1 4.36Å; L234-F274 HydrophobicContact CD1-CE1 3.71Å; L234-F274 HydrophobicContact CD1-CZ 4.48Å; M262-F274 HydrophobicContact SD-CE1 4.32Å; M262-F274 HydrophobicContact SD-CZ 4.08Å; L264-F274 HydrophobicContact CD1-CD1 3.85Å; L264-F274 HydrophobicContact CD1-CE1 4.27Å; F270-F274 HydrophobicContact CE1-CB 4.2Å; F270-F274 HydrophobicContact CE1-CD2 4.48Å; F270-F274 HydrophobicContact CE1-CG 4.31Å; F270-F274 HydrophobicContact CZ-CB 4.33Å; F270-F274 HydrophobicContact CZ-CD2 4.12Å; F270-F274 HydrophobicContact CZ-CG 4.37Å; F270-F274 WeakPolarHBondContact O-CB 3.49Å; F270-F274 PolarHBondContact O-N 2.76Å; F274-S276 VanDerWaalsContact C-N 3.33Å
275L85.8Confident84.3Confident26 Ų2686.9 Ų86.914%0.13646%0.457CS..Hα-helixtrans-74.5-21.4178.1-68.5-179.9000113.3Y225 L234 L264 C271 Q273 E277 K278 I280Y225-L275 HydrophobicContact CE1-CD2 4.33Å; Y225-L275 WeakPolarHBondContact OH-CD1 3.38Å; L234-L275 HydrophobicContact CD1-CD2 3.95Å; L264-L275 HydrophobicContact CD1-CD2 4.32Å; C271-L275 WeakPolarHBondContact O-CB 3.08Å; C271-L275 WeakPolarHBondContact O-CG 3.45Å; C271-L275 PolarHBondContact O-N 3.46Å; C271-L275 VanDerWaalsContact SG-CD1 3.58Å; Q273-L275 VanDerWaalsContact C-N 3.33Å; Q273-L275 PolarHBondContact O-N 3.41Å; L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.44Å; L275-K278 PolarHBondContact O-N 2.9Å; L275-I280 HydrophobicContact CB-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CD1 4.29Å; L275-I280 HydrophobicContact CD2-CD1 3.75Å; L275-I280 HydrophobicContact CD2-CG1 4.23Å; L275-I280 HydrophobicContact CG-CD1 4.17Å
276S83.3Confident83.8Confident94 Ų9486.8 Ų86.866%0.65745%0.452SS*.Hα-helixtrans-70.5-23.6178.373.30000113.3K272 Q273 F274K272-S276 WeakPolarHBondContact O-CB 3.26Å; K272-S276 PolarHBondContact O-N 3.12Å; K272-S276 VanDerWaalsContact O-N 3.17Å; Q273-S276 WeakPolarHBondContact O-CB 3.46Å; Q273-S276 PolarHBondContact O-N 3.37Å; Q273-S276 VanDerWaalsContact O-N 3.08Å; Q273-S276 PolarHBondContact O-OG 3.49Å; F274-S276 VanDerWaalsContact C-N 3.33Å
277E81.9Confident83.6Confident142 Ų14286.2 Ų86.266%0.66445%0.454SS*.THydrogen-bonded Turntrans-92.8-7-177.9-64.3174.4-171.700112.8L275L275-E277 VanDerWaalsContact C-N 3.26Å; L275-E277 PolarHBondContact O-N 3.44Å
278K82.3Confident83.4Confident56 Ų5685.3 Ų85.324%0.24345%0.449CS..SBendtrans-124.6149.8-170.1-67.6-76.6-176.7164.90112.6E227 L234 L275E227-K278 IonicContact OE1-NZ 3.48Å; E227-K278 PolarHBondContact OE1-NZ 2.96Å; L234-K278 HydrophobicContact CD1-CB 3.8Å; L234-K278 HydrophobicContact CD1-CG 4.03Å; L234-K278 HydrophobicContact CG-CB 4.1Å; L234-K278 HydrophobicContact CG-CG 4.39Å; L275-K278 PolarHBondContact O-N 2.9Å
279K81.4Confident82.8Confident157 Ų15789.1 Ų89.168%0.68347%0.465SS*.EExtended strand (participates in β ladder)trans-84.4128.3172.3-71179-177.3172.30110.2T233 L234T233-K279 HydrophobicContact CG2-CB 3.86Å; L234-K279 PolarHBondContact N-O 3.38Å
280I81.9Confident82.3Confident73 Ų7387.6 Ų87.637%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-113.9132.3-173-52.2164.8000110.7Y225 L234 L275Y225-I280 HydrophobicContact CE1-CG2 4.32Å; L234-I280 CarbonylContact O-C 3.51Å; L234-I280 WeakPolarHBondContact O-CA 3.49Å; L275-I280 HydrophobicContact CB-CD1 3.91Å; L275-I280 HydrophobicContact CD1-CD1 4.29Å; L275-I280 HydrophobicContact CD2-CD1 3.75Å; L275-I280 HydrophobicContact CD2-CG1 4.23Å; L275-I280 HydrophobicContact CG-CD1 4.17Å
281H78.1Confident81.7Confident91 Ų9184.8 Ų84.842%0.42144%0.44SS..EExtended strand (participates in β ladder)trans-122.8141.8171.5-66.2-61000110.4L234 Y235 Q236L234-H281 PolarHBondContact O-N 3.38Å; Y235-H281 CarbonylContact C-O 3.56Å; Y235-H281 VanDerWaalsContact CA-O 3.31Å; Y235-H281 WeakPolarHBondContact CA-O 3.34Å; Y235-H281 HydrophobicContact CD1-CB 3.72Å; Y235-H281 HydrophobicContact CE1-CB 3.57Å; Q236-H281 PolarHBondContact N-O 3.23Å
282G74.4Confident81.2Confident66 Ų6691.7 Ų91.768%0.6848%0.475SS*.EExtended strand (participates in β ladder)trans-91143.3173.700000111.6
283L60.6Low80.6Confident97 Ų9788.3 Ų88.351%0.50847%0.468SS..  trans-930164-86.6100.9000112.6F226 Y235 Q236 M241 H249F226-L283 HydrophobicContact CE1-CD1 3.44Å; F226-L283 VanDerWaalsContact CE1-CD1 3.44Å; F226-L283 HydrophobicContact CE1-CD2 4.46Å; F226-L283 HydrophobicContact CZ-CD1 3.81Å; Y235-L283 HydrophobicContact CD1-CD1 3.79Å; Y235-L283 HydrophobicContact CG-CD1 4.11Å; Q236-L283 WeakPolarHBondContact O-CD1 3.42Å; Q236-L283 PolarHBondContact O-N 3.23Å; M241-L283 HydrophobicContact CE-CB 4.34Å; M241-L283 HydrophobicContact CE-CD2 4.26Å; H249-L283 HydrophobicContact CB-CD2 4.08Å; H249-L283 WeakPolarHBondContact CD2-CD2 3.36Å

Retrieved 283 of 283 residues in 608.1 ms (Link to these results)