A0A077Z478_TRITR Loading...

Sulfhydryl oxidase

AlphaFold DB , UniProt , Accession A0A077Z478, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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
1M33Very low60Low238 Ų238128.1 Ų128.1100%1.17267%0.665SS**  095.40-74.8171.4161.800107.5S3M1-S3 PolarHBondContact O-N 3.5Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2N34.2Very low61.3Low173 Ų173122.5 Ų122.593%0.92563%0.632SS**  trans-71.697.5173.5-98.110.9000108E4N2-E4 PolarHBondContact O-N 3.12Å
3S43.7Very low62.5Low100 Ų100120.8 Ų120.870%0.69963%0.625SS**  trans-67.5108.9160.553.10000107M1 Q5M1-S3 PolarHBondContact O-N 3.5Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-Q5 PolarHBondContact O-N 3.36Å
4E48.5Very low63.1Low190 Ų190119.3 Ų119.389%0.88861%0.611SS**  trans-48.1110.4169.9-75.3178.113200108.7N2 K6N2-E4 PolarHBondContact O-N 3.12Å; E4-K6 PolarHBondContact O-N 3.2Å; E4-K6 VanDerWaalsContact O-N 3.12Å
5Q56.8Low63.9Low184 Ų184124.9 Ų124.986%0.8662%0.621SS**  trans-68.5112.7178.2-72.1177.3-000107.2S3S3-Q5 PolarHBondContact O-N 3.36Å
6K60.5Low64.8Low187 Ų187123.8 Ų123.881%0.81361%0.614SS**  trans-51.8140.8173-70-177.1179-178.20109.5E4 C8E4-K6 PolarHBondContact O-N 3.2Å; E4-K6 VanDerWaalsContact O-N 3.12Å; K6-C8 PolarHBondContact O-N 3.46Å; K6-C8 VanDerWaalsContact O-N 3.12Å
7P67.6Low65.5Low56 Ų56118.1 Ų118.136%0.36458%0.584SS.*  trans-57.5120.7179.122-31.6000110.5R9P7-R9 PolarHBondContact O-N 3.33Å
8C72.9Confident66.1Low29 Ų29115.2 Ų115.220%0.19657%0.571CS.*  trans-71.6113176.8162.20000109.8K6 V10 C11 F12 Y74K6-C8 PolarHBondContact O-N 3.46Å; K6-C8 VanDerWaalsContact O-N 3.12Å; C8-V10 PolarHBondContact O-N 3.03Å; C8-C11 HydrophobicContact CB-CB 3.67Å; C8-C11 WeakPolarHBondContact CB-SG 3.28Å; C8-C11 PolarHBondContact O-N 3.43Å; C8-C11 VanDerWaalsContact O-N 3.11Å; C8-C11 WeakPolarHBondContact SG-CB 3.39Å; C8-C11 PolarHBondContact SG-N 3.5Å; C8-C11 CovalentContact SG-SG 2.06Å; C8-C11 PolarHBondContact SG-SG 3.01Å; C8-F12 WeakPolarHBondContact O-CD2 3.46Å; C8-Y74 HydrophobicContact CB-CE1 4.38Å
9R79.6Confident66.8Low82 Ų82118.5 Ų118.531%0.30958%0.576SS.*G310 helixtrans-63.7-28.2-178.6-167.8177.1-177.81698.3112.9P7 C11 W17 Y74 C162P7-R9 PolarHBondContact O-N 3.33Å; R9-C11 VanDerWaalsContact C-N 3.33Å; R9-W17 HydrophobicContact CG-CD2 4.25Å; R9-W17 HydrophobicContact CG-CG 4.25Å; R9-Y74 PolarHBondContact N-OH 3.16Å; R9-C162 PolarHBondContact NH2-O 3.29Å
10V84.1Confident67.2Low89 Ų89116.8 Ų116.854%0.53957%0.565SS.*G310 helixtrans-76.1-22.2177.8178.40000112.4C8 T70 Y74C8-V10 PolarHBondContact O-N 3.03Å; V10-T70 HydrophobicContact CG2-CG2 3.58Å; V10-Y74 HydrophobicContact CG2-CD2 3.97Å; V10-Y74 HydrophobicContact CG2-CE1 4.21Å; V10-Y74 HydrophobicContact CG2-CE2 3.46Å; V10-Y74 VanDerWaalsContact CG2-CE2 3.46Å
11C78.9Confident67.7Low81 Ų81112.1 Ų112.155%0.54755%0.545SS..G310 helixtrans-86.1-8.3-170.6-59.30000113.6C8 R9C8-C11 HydrophobicContact CB-CB 3.67Å; C8-C11 WeakPolarHBondContact CB-SG 3.28Å; C8-C11 PolarHBondContact O-N 3.43Å; C8-C11 VanDerWaalsContact O-N 3.11Å; C8-C11 WeakPolarHBondContact SG-CB 3.39Å; C8-C11 PolarHBondContact SG-N 3.5Å; C8-C11 CovalentContact SG-SG 2.06Å; C8-C11 PolarHBondContact SG-SG 3.01Å; R9-C11 VanDerWaalsContact C-N 3.33Å
12F76.3Confident69.8Low61 Ų61103.3 Ų103.327%0.26851%0.51SS..SBendtrans-134.9147.5-174.6-57.5-58.9000109.8C8 E16 W17 K20C8-F12 WeakPolarHBondContact O-CD2 3.46Å; F12-E16 HydrophobicContact CB-CB 3.9Å; F12-W17 HydrophobicContact CB-CB 4.2Å; F12-K20 HydrophobicContact CD1-CD 4.19Å; F12-K20 HydrophobicContact CD2-CD 4.04Å; F12-K20 HydrophobicContact CE1-CD 4.1Å; F12-K20 HydrophobicContact CE2-CD 3.87Å; F12-K20 HydrophobicContact CG-CD 4.2Å; F12-K20 HydrophobicContact CZ-CD 3.91Å
13D76.2Confident71.8Confident101 Ų10199.8 Ų99.854%0.5449%0.488SS..  trans-57150.3164.7177.132.1000109.1R15 E16 W17D13-R15 PolarHBondContact O-N 2.88Å; D13-R15 VanDerWaalsContact O-N 3.08Å; D13-E16 HydrophobicContact CB-CG 4.41Å; D13-E16 CarbonylContact O-C 3.56Å; D13-E16 WeakPolarHBondContact O-CA 3.32Å; D13-E16 WeakPolarHBondContact O-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.47Å; D13-W17 PolarHBondContact O-N 3.3Å
14F71.8Confident73.2Confident99 Ų9997.3 Ų97.343%0.43447%0.474SS..Hα-helixtrans-52.1-38.4-177.2179.5-107.9000112.1W17 L18F14-W17 HydrophobicContact CD2-CE3 4.44Å; F14-W17 HydrophobicContact CE2-CE3 4.33Å; F14-W17 HydrophobicContact CE2-CZ3 4.41Å; F14-W17 PolarHBondContact O-N 3.5Å; F14-L18 HydrophobicContact CD1-CD1 4.02Å; F14-L18 HydrophobicContact CE1-CD1 3.5Å; F14-L18 VanDerWaalsContact CE1-CD1 3.5Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CG 4.41Å; F14-L18 HydrophobicContact CZ-CD1 3.8Å; F14-L18 HydrophobicContact CZ-CD2 4.31Å; F14-L18 HydrophobicContact CZ-CG 4.1Å; F14-L18 WeakPolarHBondContact O-CG 3.4Å; F14-L18 PolarHBondContact O-N 3.31Å
15R74.6Confident74.2Confident203 Ų20394.4 Ų94.477%0.76646%0.458SS*.Hα-helixtrans-65.4-41.9175.9-67.2-179.8171.3-175.4-1.1112.8D13 R19D13-R15 PolarHBondContact O-N 2.88Å; D13-R15 VanDerWaalsContact O-N 3.08Å; R15-R19 PolarHBondContact O-N 3.49Å; R15-R19 VanDerWaalsContact O-N 3.16Å
16E78.6Confident74.8Confident107 Ų10791.2 Ų91.250%0.545%0.451SS..Hα-helixtrans-69.9-37.9177-69.3-170.2157.200111.6F12 D13 R19 K20F12-E16 HydrophobicContact CB-CB 3.9Å; D13-E16 HydrophobicContact CB-CG 4.41Å; D13-E16 CarbonylContact O-C 3.56Å; D13-E16 WeakPolarHBondContact O-CA 3.32Å; D13-E16 WeakPolarHBondContact O-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.47Å; E16-R19 PolarHBondContact O-N 2.93Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 WeakPolarHBondContact O-CG 3.26Å; E16-K20 PolarHBondContact O-N 3.09Å
17W76Confident74.9Confident28 Ų2887.4 Ų87.411%0.10645%0.448CS..Hα-helixtrans-62.2-47.7174.3179.981.7000111.2R9 F12 D13 F14 R19 K20 S21R9-W17 HydrophobicContact CG-CD2 4.25Å; R9-W17 HydrophobicContact CG-CG 4.25Å; F12-W17 HydrophobicContact CB-CB 4.2Å; D13-W17 PolarHBondContact O-N 3.3Å; F14-W17 HydrophobicContact CD2-CE3 4.44Å; F14-W17 HydrophobicContact CE2-CE3 4.33Å; F14-W17 HydrophobicContact CE2-CZ3 4.41Å; F14-W17 PolarHBondContact O-N 3.5Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.07Å; W17-K20 PolarHBondContact O-N 3.22Å; W17-S21 VanDerWaalsContact CE2-OG 3.24Å; W17-S21 PolarHBondContact NE1-OG 2.9Å; W17-S21 VanDerWaalsContact O-CB 3.26Å; W17-S21 WeakPolarHBondContact O-CB 3.44Å; W17-S21 PolarHBondContact O-N 3.32Å; W17-S21 PolarHBondContact O-OG 3.1Å; W17-S21 VanDerWaalsContact O-OG 3.06Å
18L77.4Confident74.5Confident66 Ų6688.4 Ų88.435%0.34646%0.461SS..Hα-helixtrans-56-45.1175-77.5174000111.6F14 A22F14-L18 HydrophobicContact CD1-CD1 4.02Å; F14-L18 HydrophobicContact CE1-CD1 3.5Å; F14-L18 VanDerWaalsContact CE1-CD1 3.5Å; F14-L18 HydrophobicContact CE1-CG 4.2Å; F14-L18 HydrophobicContact CE2-CG 4.41Å; F14-L18 HydrophobicContact CZ-CD1 3.8Å; F14-L18 HydrophobicContact CZ-CD2 4.31Å; F14-L18 HydrophobicContact CZ-CG 4.1Å; F14-L18 WeakPolarHBondContact O-CG 3.4Å; F14-L18 PolarHBondContact O-N 3.31Å; L18-A22 VanDerWaalsContact O-CB 3.32Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.16Å
19R79.5Confident73.3Confident177 Ų17790.2 Ų90.267%0.66848%0.484SS*.Hα-helixtrans-62.4-45.7177.3-175.7177.2171.7140.7-2.1112R15 E16 W17 A22 Q23R15-R19 PolarHBondContact O-N 3.49Å; R15-R19 VanDerWaalsContact O-N 3.16Å; E16-R19 PolarHBondContact O-N 2.93Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.07Å; R19-A22 PolarHBondContact O-N 3.46Å; R19-Q23 VanDerWaalsContact O-CG 3.28Å; R19-Q23 WeakPolarHBondContact O-CG 3.45Å; R19-Q23 PolarHBondContact O-N 2.93Å
20K74.8Confident71.9Confident84 Ų8494.4 Ų94.437%0.36551%0.505SS..Hα-helixtrans-70.9-37.6180-74.8-174.7175.6-1790112.7F12 E16 W17 Q23 A24F12-K20 HydrophobicContact CD1-CD 4.19Å; F12-K20 HydrophobicContact CD2-CD 4.04Å; F12-K20 HydrophobicContact CE1-CD 4.1Å; F12-K20 HydrophobicContact CE2-CD 3.87Å; F12-K20 HydrophobicContact CG-CD 4.2Å; F12-K20 HydrophobicContact CZ-CD 3.91Å; E16-K20 WeakPolarHBondContact O-CB 3.45Å; E16-K20 WeakPolarHBondContact O-CG 3.26Å; E16-K20 PolarHBondContact O-N 3.09Å; W17-K20 PolarHBondContact O-N 3.22Å; K20-Q23 PolarHBondContact O-N 3.35Å; K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 3.06Å
21S77.4Confident70Confident19 Ų1997 Ų9713%0.13352%0.521CS..Hα-helixtrans-64.9-40.4174.1-67.50000111.5W17 A24 K25W17-S21 VanDerWaalsContact CE2-OG 3.24Å; W17-S21 PolarHBondContact NE1-OG 2.9Å; W17-S21 VanDerWaalsContact O-CB 3.26Å; W17-S21 WeakPolarHBondContact O-CB 3.44Å; W17-S21 PolarHBondContact O-N 3.32Å; W17-S21 PolarHBondContact O-OG 3.1Å; W17-S21 VanDerWaalsContact O-OG 3.06Å; S21-A24 PolarHBondContact O-N 2.78Å; S21-K25 WeakPolarHBondContact O-CG 3Å; S21-K25 PolarHBondContact O-N 3.12Å; S21-K25 VanDerWaalsContact O-N 3.07Å
22A77.2Confident68.9Low54 Ų5498.6 Ų98.645%0.44653%0.533SS..Hα-helixtrans-63-44.617200000111.8L18 R19 A24 K25 V26L18-A22 VanDerWaalsContact O-CB 3.32Å; L18-A22 WeakPolarHBondContact O-CB 3.36Å; L18-A22 PolarHBondContact O-N 3.16Å; R19-A22 PolarHBondContact O-N 3.46Å; A22-A24 PolarHBondContact O-N 3.42Å; A22-K25 PolarHBondContact O-N 3.2Å; A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 2.9Å; A22-V26 VanDerWaalsContact O-N 3.1Å
23Q75.9Confident67.8Low99 Ų9999.7 Ų99.746%0.46355%0.554SS.*Hα-helixtrans-62.2-41.9176.4-73.6173.3-12.700112.5R19 K20 K25 V26 S27R19-Q23 VanDerWaalsContact O-CG 3.28Å; R19-Q23 WeakPolarHBondContact O-CG 3.45Å; R19-Q23 PolarHBondContact O-N 2.93Å; K20-Q23 PolarHBondContact O-N 3.35Å; Q23-K25 PolarHBondContact O-N 3.35Å; Q23-V26 PolarHBondContact O-N 2.94Å; Q23-S27 PolarHBondContact O-N 3.46Å; Q23-S27 PolarHBondContact O-OG 3.11Å
24A72.5Confident66.6Low48 Ų48102.4 Ų102.440%0.39757%0.568SS.*Hα-helixtrans-64.8-37.6176.700000112.5K20 S21 A22 S27 A28K20-A24 WeakPolarHBondContact O-CB 3.48Å; K20-A24 PolarHBondContact O-N 3.06Å; S21-A24 PolarHBondContact O-N 2.78Å; A22-A24 PolarHBondContact O-N 3.42Å; A24-S27 PolarHBondContact O-N 3.19Å; A24-A28 WeakPolarHBondContact O-CB 3.14Å; A24-A28 PolarHBondContact O-N 3.29Å; A24-A28 VanDerWaalsContact O-N 3.12Å
25K69Low65.7Low128 Ų128104.3 Ų104.356%0.55759%0.587SS**Hα-helixtrans-64.8-38.2174.5-74.7179-179.2177.80112.1S21 A22 Q23 A28S21-K25 WeakPolarHBondContact O-CG 3Å; S21-K25 PolarHBondContact O-N 3.12Å; S21-K25 VanDerWaalsContact O-N 3.07Å; A22-K25 PolarHBondContact O-N 3.2Å; Q23-K25 PolarHBondContact O-N 3.35Å; K25-A28 PolarHBondContact O-N 3.12Å
26V70.1Confident64.4Low117 Ų117103.5 Ų103.571%0.70959%0.592SS**Hα-helixtrans-67.1-44175.8174.20000111.4A22 Q23 A28 G29A22-V26 WeakPolarHBondContact O-CG2 3.43Å; A22-V26 PolarHBondContact O-N 2.9Å; A22-V26 VanDerWaalsContact O-N 3.1Å; Q23-V26 PolarHBondContact O-N 2.94Å; V26-A28 VanDerWaalsContact C-N 3.28Å; V26-A28 PolarHBondContact O-N 3.08Å; V26-G29 PolarHBondContact O-N 2.81Å
27S61.8Low63Low108 Ų108103.8 Ų103.876%0.75561%0.606SS**Hα-helixtrans-68-24.7178.9-59.80000113.7Q23 A24 G29Q23-S27 PolarHBondContact O-N 3.46Å; Q23-S27 PolarHBondContact O-OG 3.11Å; A24-S27 PolarHBondContact O-N 3.19Å; S27-G29 VanDerWaalsContact C-N 3.29Å; S27-G29 PolarHBondContact O-N 2.06Å
28A59.2Low61.6Low76 Ų76107.5 Ų107.563%0.62864%0.636SS**THydrogen-bonded Turntrans-86.212.2178.100000114.3A24 K25 V26 K30A24-A28 WeakPolarHBondContact O-CB 3.14Å; A24-A28 PolarHBondContact O-N 3.29Å; A24-A28 VanDerWaalsContact O-N 3.12Å; K25-A28 PolarHBondContact O-N 3.12Å; V26-A28 VanDerWaalsContact C-N 3.28Å; V26-A28 PolarHBondContact O-N 3.08Å; A28-K30 PolarHBondContact O-N 3.34Å; A28-K30 VanDerWaalsContact O-N 3.16Å
29G48.3Very low60.1Low67 Ų67110.1 Ų110.169%0.69166%0.66SS**THydrogen-bonded Turntrans67.117.4170.600000115.4V26 S27V26-G29 PolarHBondContact O-N 2.81Å; S27-G29 VanDerWaalsContact C-N 3.29Å; S27-G29 PolarHBondContact O-N 2.06Å
30K51.3Low58.5Low170 Ų170106.7 Ų106.774%0.73966%0.663SS**  trans-10094.9173-80.4-176.9177.5-179.90110A28 S32A28-K30 PolarHBondContact O-N 3.34Å; A28-K30 VanDerWaalsContact O-N 3.16Å; K30-S32 PolarHBondContact O-N 3.31Å
31T43.5Very low57Low145 Ų145108.6 Ų108.689%0.8969%0.687SS**  trans-66.3109.9159.542.30000108.8
32S56.1Low55.5Low113 Ų113112.8 Ų112.879%0.7972%0.717SS**  trans-102.1112.6161.8-70.70000108K30K30-S32 PolarHBondContact O-N 3.31Å
33A52.1Low53.5Low85 Ų85116.2 Ų116.270%0.70274%0.737SS**  trans-67.9153.116300000110.2
34D51.2Low51.9Low158 Ų158115.7 Ų115.785%0.84574%0.744SS**  trans77.982168.4-58.5-32.5000118.3
35V52.6Low50.2Low138 Ų138119.2 Ų119.284%0.83677%0.766SS**  trans-83103.5150.9176.30000107.5
36Q48.9Very low49.2Very low187 Ų187118.5 Ų118.587%0.87477%0.773SS**  trans-102.5112.9158.6-111.4172.53.800109S38Q36-S38 PolarHBondContact O-N 3Å
37S47.9Very low48.2Very low113 Ų113117.6 Ų117.679%0.7977%0.772SS**  trans-66.2119.9170-75.20000110.1
38S47.2Very low47.9Very low105 Ų105119.4 Ų119.473%0.73477%0.768SS**  trans-130.889.6156.339.30000108.5Q36 S40Q36-S38 PolarHBondContact O-N 3Å; S38-S40 PolarHBondContact O-N 3.46Å
39S46.1Very low48Very low121 Ų121118.7 Ų118.785%0.84675%0.752SS**  trans-62.2104.4161.850.60000109.4
40S46.5Very low48.8Very low105 Ų105118.6 Ų118.673%0.73474%0.744SS**  trans-122.195.1163.753.10000109S38 S42S38-S40 PolarHBondContact O-N 3.46Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.14Å
41S43.3Very low49.8Very low125 Ų125117.8 Ų117.887%0.87474%0.741SS**  trans-56.8102.2162.749.40000110.1
42S44.7Very low51.8Low107 Ų107118.6 Ų118.675%0.74874%0.74SS**  trans-108.199.1161.4650000108.5S40 S44S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.14Å; S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 3.14Å
43S36.5Very low53.5Low125 Ų125116.9 Ų116.987%0.87473%0.727SS**  trans-54.392.4164.549.50000109.9
44S41.8Very low55.5Low88 Ų88118.8 Ų118.862%0.61573%0.732SS**  trans-95.8104168.9137.40000106.5S42 T46S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 3.14Å; S44-T46 PolarHBondContact O-N 3.24Å
45S37.4Very low57.5Low123 Ų123115.7 Ų115.786%0.8672%0.715SS**  trans-6376.5173.554.60000110.5
46T47.4Very low59.6Low112 Ų112112.7 Ų112.769%0.68769%0.694SS**  trans-83.9128.615742.40000105.9S44 E48S44-T46 PolarHBondContact O-N 3.24Å; T46-E48 VanDerWaalsContact C-N 3.31Å; T46-E48 PolarHBondContact O-N 3.48Å
47S49.4Very low61.8Low99 Ų99107.7 Ų107.769%0.69267%0.67SS**  trans-50.497178.263.70000109.3H49S47-H49 PolarHBondContact O-N 3.18Å
48E55.8Low64.1Low145 Ų145106.1 Ų106.168%0.67865%0.652SS**  trans-59.2100.5160.4-112.6-169.216800103.2T46 A50 K51T46-E48 VanDerWaalsContact C-N 3.31Å; T46-E48 PolarHBondContact O-N 3.48Å; E48-A50 PolarHBondContact O-N 2.78Å; E48-A50 VanDerWaalsContact O-N 3.14Å; E48-K51 WeakPolarHBondContact OE1-CE 3.15Å; E48-K51 IonicContact OE1-NZ 2.8Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; E48-K51 VanDerWaalsContact OE2-CE 3.3Å; E48-K51 WeakPolarHBondContact OE2-CE 3.49Å; E48-K51 IonicContact OE2-NZ 3.29Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å
49H59.5Low66.4Low62 Ų62101.4 Ų101.429%0.28762%0.619SS.*  trans-41.9126161.8-91.3-78.2000106.2S47 K51 D56S47-H49 PolarHBondContact O-N 3.18Å; H49-K51 PolarHBondContact O-N 2.98Å; H49-D56 VanDerWaalsContact CE1-CG 3.46Å; H49-D56 IonicContact CE1-OD1 3.12Å; H49-D56 IonicContact CE1-OD2 3.88Å; H49-D56 PolarHBondContact CE1-OD2 3Å; H49-D56 IonicContact NE2-OD1 3.54Å; H49-D56 IonicContact NE2-OD2 3.07Å
50A65.2Low68.8Low64 Ų6497.7 Ų97.753%0.52959%0.59SS.*  trans-47.5118.2177.600000106.6E48 D52 C53E48-A50 PolarHBondContact O-N 2.78Å; E48-A50 VanDerWaalsContact O-N 3.14Å; A50-D52 PolarHBondContact O-N 2.9Å; A50-C53 HydrophobicContact CB-CB 4.32Å; A50-C53 PolarHBondContact O-N 2.66Å
51K72.7Confident71.2Confident154 Ų15493.2 Ų93.267%0.6756%0.56SS**THydrogen-bonded Turntrans-55.9-17.2-159.6-71.3176.4178.1168.80113.7E48 H49E48-K51 WeakPolarHBondContact OE1-CE 3.15Å; E48-K51 IonicContact OE1-NZ 2.8Å; E48-K51 PolarHBondContact OE1-NZ 3.09Å; E48-K51 VanDerWaalsContact OE2-CE 3.3Å; E48-K51 WeakPolarHBondContact OE2-CE 3.49Å; E48-K51 IonicContact OE2-NZ 3.29Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å; H49-K51 PolarHBondContact O-N 2.98Å
52D86.5Confident73.8Confident162 Ų16293.9 Ų93.987%0.86654%0.543SS*.THydrogen-bonded Turntrans-114.913.9-174.4-50.5-49.5000113.7A50A50-D52 PolarHBondContact O-N 2.9Å
53C90.8Very high76.3Confident77 Ų7791.7 Ų91.752%0.5253%0.528SS..SBendtrans-98.7147.6175.8-74.50000112.4A50A50-C53 HydrophobicContact CB-CB 4.32Å; A50-C53 PolarHBondContact O-N 2.66Å
54P94Very high79.3Confident124 Ų12486.6 Ų86.681%0.80549%0.492SS*.PPolyproline II helixtrans-56142.7168.3-24.434.4000112D56P54-D56 PolarHBondContact O-N 2.92Å
55L94.7Very high82Confident94 Ų9484.5 Ų84.549%0.49247%0.471SS..PPolyproline II helixtrans-64.4133.1-179.7-59.4179.9000111.2A59 L60L55-A59 HydrophobicContact CB-CB 4.15Å; L55-A59 HydrophobicContact CD2-CB 3.92Å; L55-L60 HydrophobicContact CB-CB 4.17Å; L55-L60 HydrophobicContact CD1-CB 4.48Å; L55-L60 HydrophobicContact CD1-CD1 4.37Å
56D94.8Very high84.8Confident74 Ų7480.5 Ų80.540%0.39645%0.445SS..  trans-70.8174.9164.373.418.8000111.4H49 P54 D58 A59 L60H49-D56 VanDerWaalsContact CE1-CG 3.46Å; H49-D56 IonicContact CE1-OD1 3.12Å; H49-D56 IonicContact CE1-OD2 3.88Å; H49-D56 PolarHBondContact CE1-OD2 3Å; H49-D56 IonicContact NE2-OD1 3.54Å; H49-D56 IonicContact NE2-OD2 3.07Å; P54-D56 PolarHBondContact O-N 2.92Å; D56-D58 PolarHBondContact O-N 3.45Å; D56-D58 WeakPolarHBondContact OD1-CA 3.43Å; D56-D58 PolarHBondContact OD1-N 3.32Å; D56-A59 PolarHBondContact O-N 3.5Å; D56-A59 WeakPolarHBondContact OD1-CB 3.16Å; D56-A59 PolarHBondContact OD1-N 3.3Å; D56-L60 VanDerWaalsContact O-CB 3.24Å; D56-L60 WeakPolarHBondContact O-CB 3.22Å; D56-L60 PolarHBondContact O-N 3.14Å
57K95.8Very high87.2Confident83 Ų8381 Ų8136%0.36144%0.438SS..Hα-helixtrans-52.7-40.6178.7179.2-17966.363.30113.2G61 Y102K57-G61 PolarHBondContact O-N 3.06Å; K57-Y102 HydrophobicContact CD-CE2 4.39Å; K57-Y102 WeakPolarHBondContact CD-OH 3.28Å; K57-Y102 VanDerWaalsContact CE-OH 3.22Å; K57-Y102 WeakPolarHBondContact CE-OH 3.47Å
58D95.6Very high89.6Confident80 Ų8076.4 Ų76.443%0.42841%0.406SS..Hα-helixtrans-81.1-38-171.8-70-16.7000111.4D56 G61 R62D56-D58 PolarHBondContact O-N 3.45Å; D56-D58 WeakPolarHBondContact OD1-CA 3.43Å; D56-D58 PolarHBondContact OD1-N 3.32Å; D58-G61 PolarHBondContact O-N 2.89Å; D58-R62 WeakPolarHBondContact O-CG 3.41Å; D58-R62 PolarHBondContact O-N 2.8Å; D58-R62 PolarHBondContact O-NH1 3.47Å
59A95.6Very high91.6Very high5 Ų569.8 Ų69.84%0.04138%0.375CS..Hα-helixtrans-67.1-42.7173.400000111.6L55 D56 R62 S63L55-A59 HydrophobicContact CB-CB 4.15Å; L55-A59 HydrophobicContact CD2-CB 3.92Å; D56-A59 PolarHBondContact O-N 3.5Å; D56-A59 WeakPolarHBondContact OD1-CB 3.16Å; D56-A59 PolarHBondContact OD1-N 3.3Å; A59-R62 PolarHBondContact O-N 3.22Å; A59-S63 WeakPolarHBondContact O-CB 3.21Å; A59-S63 PolarHBondContact O-N 3.35Å; A59-S63 PolarHBondContact O-OG 3.49Å
60L96.8Very high93.4Very high43 Ų4368.8 Ų68.823%0.22537%0.373CS..Hα-helixtrans-59.4-47.9171.1177.766.6000110.6L55 D56 R62 S63 T64 Y98 P99L55-L60 HydrophobicContact CB-CB 4.17Å; L55-L60 HydrophobicContact CD1-CB 4.48Å; L55-L60 HydrophobicContact CD1-CD1 4.37Å; D56-L60 VanDerWaalsContact O-CB 3.24Å; D56-L60 WeakPolarHBondContact O-CB 3.22Å; D56-L60 PolarHBondContact O-N 3.14Å; L60-R62 PolarHBondContact O-N 2.65Å; L60-S63 PolarHBondContact O-N 2.92Å; L60-T64 WeakPolarHBondContact O-CB 3.36Å; L60-T64 PolarHBondContact O-N 3.07Å; L60-T64 PolarHBondContact O-OG1 3.5Å; L60-Y98 HydrophobicContact CD2-CE2 4.39Å; L60-Y98 HydrophobicContact CG-CE2 4.4Å; L60-P99 HydrophobicContact CD2-CG 3.38Å
61G97.7Very high94.8Very high11 Ų1167.8 Ų67.811%0.11336%0.358CS..Hα-helixtrans-58.2-48.4177.900000112.8K57 D58 S63 T64 W65 Y98K57-G61 PolarHBondContact O-N 3.06Å; D58-G61 PolarHBondContact O-N 2.89Å; G61-S63 PolarHBondContact O-N 3.05Å; G61-T64 WeakPolarHBondContact O-CB 3.34Å; G61-T64 PolarHBondContact O-N 2.82Å; G61-W65 PolarHBondContact O-N 3.44Å; G61-Y98 WeakPolarHBondContact CA-OH 3.42Å
62R97.7Very high96Very high139 Ų13960.4 Ų60.453%0.52533%0.326SS..Hα-helixtrans-60.2-45.7176.8-74-173.6-61.2-86.40.9112.2D58 A59 L60 T64 W65 A66D58-R62 WeakPolarHBondContact O-CG 3.41Å; D58-R62 PolarHBondContact O-N 2.8Å; D58-R62 PolarHBondContact O-NH1 3.47Å; A59-R62 PolarHBondContact O-N 3.22Å; L60-R62 PolarHBondContact O-N 2.65Å; R62-T64 VanDerWaalsContact C-N 3.33Å; R62-T64 PolarHBondContact O-N 2.97Å; R62-W65 PolarHBondContact O-N 3.29Å; R62-A66 WeakPolarHBondContact O-CB 3.23Å; R62-A66 PolarHBondContact O-N 2.94Å
63S97.1Very high96.4Very high62 Ų6253 Ų5343%0.43429%0.287SS..Hα-helixtrans-63.7-41.3179.8-55.20000111.6A59 L60 G61 A66 F67A59-S63 WeakPolarHBondContact O-CB 3.21Å; A59-S63 PolarHBondContact O-N 3.35Å; A59-S63 PolarHBondContact O-OG 3.49Å; L60-S63 PolarHBondContact O-N 2.92Å; G61-S63 PolarHBondContact O-N 3.05Å; S63-A66 PolarHBondContact O-N 3.38Å; S63-F67 PolarHBondContact O-N 3.42Å
64T98.3Very high96.5Very high18 Ų1853.3 Ų53.311%0.1128%0.278CS..Hα-helixtrans-62-50.6176.4-64.90000111.8L60 G61 R62 A66 F67 L68 F94 Y98L60-T64 WeakPolarHBondContact O-CB 3.36Å; L60-T64 PolarHBondContact O-N 3.07Å; L60-T64 PolarHBondContact O-OG1 3.5Å; G61-T64 WeakPolarHBondContact O-CB 3.34Å; G61-T64 PolarHBondContact O-N 2.82Å; R62-T64 VanDerWaalsContact C-N 3.33Å; R62-T64 PolarHBondContact O-N 2.97Å; T64-A66 VanDerWaalsContact C-N 3.28Å; T64-A66 PolarHBondContact O-N 3.48Å; T64-F67 PolarHBondContact O-N 3.43Å; T64-L68 HydrophobicContact CG2-CD1 4Å; T64-L68 HydrophobicContact CG2-CG 4.49Å; T64-L68 WeakPolarHBondContact O-CG 3.32Å; T64-L68 PolarHBondContact O-N 3.3Å; T64-F94 HydrophobicContact CG2-CE1 4.32Å; T64-F94 HydrophobicContact CG2-CE2 3.8Å; T64-F94 HydrophobicContact CG2-CZ 3.29Å; T64-Y98 HydrophobicContact CG2-CD2 4.49Å; T64-Y98 HydrophobicContact CG2-CE2 3.67Å; T64-Y98 WeakPolarHBondContact OG1-CE2 3.12Å
65W98.5Very high96.5Very high43 Ų4348.6 Ų48.616%0.16325%0.246CC..Hα-helixtrans-63.6-37.3178.4-71.1123.3000111.7G61 R62 L68 H69 L128 L131 H132 V135G61-W65 PolarHBondContact O-N 3.44Å; R62-W65 PolarHBondContact O-N 3.29Å; W65-L68 HydrophobicContact CE3-CD1 4.16Å; W65-L68 HydrophobicContact CZ3-CD1 4.15Å; W65-L68 PolarHBondContact O-N 2.92Å; W65-H69 AromaticContact CE3-NE2 3.88Å; W65-H69 WeakPolarHBondContact O-CB 3.44Å; W65-H69 PolarHBondContact O-CD2 3.18Å; W65-H69 VanDerWaalsContact O-CD2 3.24Å; W65-H69 PolarHBondContact O-N 3.23Å; W65-L128 HydrophobicContact CZ3-CD1 3.98Å; W65-L131 HydrophobicContact CH2-CD2 4.14Å; W65-L131 HydrophobicContact CH2-CG 4.05Å; W65-L131 HydrophobicContact CZ3-CD2 4.42Å; W65-H132 AromaticContact CD1-CE1 3.77Å; W65-H132 AromaticContact CD1-NE2 3.49Å; W65-H132 HydrophobicContact CD2-CB 4.47Å; W65-H132 AromaticContact CD2-CD2 3.86Å; W65-H132 AromaticContact CD2-CE1 3.86Å; W65-H132 AromaticContact CD2-CG 3.84Å; W65-H132 AromaticContact CD2-ND1 3.85Å; W65-H132 AromaticContact CD2-NE2 3.9Å; W65-H132 AromaticContact CE2-CD2 3.59Å; W65-H132 AromaticContact CE2-CG 3.97Å; W65-H132 AromaticContact CE2-NE2 3.84Å; W65-H132 HydrophobicContact CE3-CB 4.15Å; W65-H132 AromaticContact CE3-CG 3.96Å; W65-H132 AromaticContact CG-CE1 3.56Å; W65-H132 AromaticContact CG-ND1 3.98Å; W65-H132 AromaticContact CG-NE2 3.71Å; W65-H132 HydrophobicContact CH2-CB 4.12Å; W65-H132 HydrophobicContact CZ2-CB 4.41Å; W65-H132 AromaticContact CZ2-CD2 3.97Å; W65-H132 HydrophobicContact CZ3-CB 3.97Å; W65-H132 AromaticContact NE1-CD2 3.73Å; W65-H132 AromaticContact NE1-NE2 3.57Å; W65-V135 HydrophobicContact CZ2-CG2 4.17Å
66A97.7Very high96.4Very high39 Ų3947.8 Ų47.832%0.32225%0.246SC..Hα-helixtrans-59-48.9173.700000111.4R62 S63 T64 T70 W153R62-A66 WeakPolarHBondContact O-CB 3.23Å; R62-A66 PolarHBondContact O-N 2.94Å; S63-A66 PolarHBondContact O-N 3.38Å; T64-A66 VanDerWaalsContact C-N 3.28Å; T64-A66 PolarHBondContact O-N 3.48Å; A66-T70 VanDerWaalsContact O-CB 3.23Å; A66-T70 WeakPolarHBondContact O-CB 2.89Å; A66-T70 PolarHBondContact O-N 3.42Å; A66-T70 PolarHBondContact O-OG1 2.89Å; A66-T70 VanDerWaalsContact O-OG1 3.06Å; A66-W153 HydrophobicContact CB-CZ3 4.33Å
67F97.9Very high95.9Very high124 Ų12449.1 Ų49.154%0.54425%0.25SS..Hα-helixtrans-58.8-53.7176171.6-101.1000112.4S63 T64 H69 T70 M71S63-F67 PolarHBondContact O-N 3.42Å; T64-F67 PolarHBondContact O-N 3.43Å; F67-H69 PolarHBondContact O-N 2.84Å; F67-T70 PolarHBondContact O-N 2.96Å; F67-M71 HydrophobicContact CE1-SD 4.32Å; F67-M71 HydrophobicContact CZ-SD 4.29Å; F67-M71 VanDerWaalsContact O-CB 3.25Å; F67-M71 WeakPolarHBondContact O-CB 3.43Å; F67-M71 PolarHBondContact O-N 3.34Å
68L98.4Very high95.3Very high2 Ų254 Ų541%0.0127%0.271CS..Hα-helixtrans-62.4-44.7-174-69174.6000112.2T64 W65 M71 A72 M91 F94 L128T64-L68 HydrophobicContact CG2-CD1 4Å; T64-L68 HydrophobicContact CG2-CG 4.49Å; T64-L68 WeakPolarHBondContact O-CG 3.32Å; T64-L68 PolarHBondContact O-N 3.3Å; W65-L68 HydrophobicContact CE3-CD1 4.16Å; W65-L68 HydrophobicContact CZ3-CD1 4.15Å; W65-L68 PolarHBondContact O-N 2.92Å; L68-M71 HydrophobicContact CD2-CE 4.44Å; L68-A72 WeakPolarHBondContact O-CB 3.38Å; L68-A72 PolarHBondContact O-N 3.27Å; L68-M91 HydrophobicContact CD2-SD 4.42Å; L68-F94 HydrophobicContact CD1-CE1 4.06Å; L68-F94 HydrophobicContact CD1-CZ 4.08Å; L68-L128 VanDerWaalsContact C-CD2 3.47Å; L68-L128 HydrophobicContact CB-CD1 4.22Å; L68-L128 HydrophobicContact CB-CD2 3.79Å; L68-L128 HydrophobicContact CD1-CD1 4.31Å; L68-L128 WeakPolarHBondContact O-CD2 3.48Å
69H98.3Very high95Very high5 Ų551.8 Ų51.82%0.02326%0.258CS..Hα-helixtrans-71.3-41-179.3-79.5-71.2000112.1W65 F67 A72 A73 L128 H132 W153W65-H69 AromaticContact CE3-NE2 3.88Å; W65-H69 WeakPolarHBondContact O-CB 3.44Å; W65-H69 PolarHBondContact O-CD2 3.18Å; W65-H69 VanDerWaalsContact O-CD2 3.24Å; W65-H69 PolarHBondContact O-N 3.23Å; F67-H69 PolarHBondContact O-N 2.84Å; H69-A72 PolarHBondContact O-N 3.14Å; H69-A73 WeakPolarHBondContact O-CB 3.35Å; H69-A73 PolarHBondContact O-N 2.9Å; H69-L128 HydrophobicContact CB-CD2 4.45Å; H69-H132 AromaticContact CD2-ND1 3.95Å; H69-H132 AromaticContact NE2-CG 3.98Å; H69-H132 AromaticContact NE2-ND1 3.33Å; H69-H132 PolarHBondContact NE2-ND1 3.41Å; H69-W153 HydrophobicContact CB-CB 4.42Å; H69-W153 HydrophobicContact CB-CD2 3.32Å; H69-W153 HydrophobicContact CB-CE3 3.8Å; H69-W153 HydrophobicContact CB-CG 3.61Å; H69-W153 HydrophobicContact CB-CH2 4.23Å; H69-W153 HydrophobicContact CB-CZ2 3.8Å; H69-W153 HydrophobicContact CB-CZ3 4.23Å; H69-W153 AromaticContact CD2-CE2 3.91Å; H69-W153 AromaticContact CD2-CZ2 3.73Å; H69-W153 AromaticContact CG-CD1 3.97Å; H69-W153 AromaticContact CG-CE2 3.49Å; H69-W153 VanDerWaalsContact CG-CE2 3.49Å; H69-W153 AromaticContact CG-CZ2 3.79Å; H69-W153 AromaticContact CG-NE1 3.43Å; H69-W153 AromaticContact ND1-CD1 3.95Å; H69-W153 AromaticContact ND1-NE1 3.56Å
70T96.9Very high94.4Very high42 Ų4258.8 Ų58.826%0.25829%0.29SS..Hα-helixtrans-64.6-41.8174.9-65.50000111.2V10 A66 F67 A72 A73 Y74V10-T70 HydrophobicContact CG2-CG2 3.58Å; A66-T70 VanDerWaalsContact O-CB 3.23Å; A66-T70 WeakPolarHBondContact O-CB 2.89Å; A66-T70 PolarHBondContact O-N 3.42Å; A66-T70 PolarHBondContact O-OG1 2.89Å; A66-T70 VanDerWaalsContact O-OG1 3.06Å; F67-T70 PolarHBondContact O-N 2.96Å; T70-A72 PolarHBondContact O-N 3.48Å; T70-A73 PolarHBondContact O-N 3.31Å; T70-Y74 HydrophobicContact CG2-CD2 4.25Å; T70-Y74 HydrophobicContact CG2-CE2 4.4Å; T70-Y74 WeakPolarHBondContact O-CD2 3.09Å; T70-Y74 PolarHBondContact O-N 3.42Å
71M96.1Very high93.6Very high42 Ų4261.4 Ų61.421%0.20731%0.311CS..Hα-helixtrans-56.8-52.3172.5178.1-16169.300110.8F67 L68 A73 Y74 L75 L90 F124F67-M71 HydrophobicContact CE1-SD 4.32Å; F67-M71 HydrophobicContact CZ-SD 4.29Å; F67-M71 VanDerWaalsContact O-CB 3.25Å; F67-M71 WeakPolarHBondContact O-CB 3.43Å; F67-M71 PolarHBondContact O-N 3.34Å; L68-M71 HydrophobicContact CD2-CE 4.44Å; M71-A73 VanDerWaalsContact C-N 3.28Å; M71-A73 PolarHBondContact O-N 3.01Å; M71-Y74 PolarHBondContact O-N 2.79Å; M71-Y74 VanDerWaalsContact O-N 3.14Å; M71-L75 PolarHBondContact O-N 2.99Å; M71-L90 HydrophobicContact CE-CD2 3.63Å; M71-L90 HydrophobicContact SD-CD2 3.56Å; M71-L90 VanDerWaalsContact SD-CD2 3.56Å; M71-F124 HydrophobicContact CE-CE1 3.88Å; M71-F124 HydrophobicContact CE-CZ 4.33Å
72A96.8Very high93.3Very high0 Ų064.4 Ų64.40%033%0.325CS..Hα-helixtrans-59-38.2-179.700000112.7L68 H69 T70 Y74 R121 F124 A125 L128L68-A72 WeakPolarHBondContact O-CB 3.38Å; L68-A72 PolarHBondContact O-N 3.27Å; H69-A72 PolarHBondContact O-N 3.14Å; T70-A72 PolarHBondContact O-N 3.48Å; A72-Y74 VanDerWaalsContact C-N 3.26Å; A72-Y74 PolarHBondContact O-N 2.77Å; A72-R121 VanDerWaalsContact O-CG 3.26Å; A72-R121 WeakPolarHBondContact O-CG 3.3Å; A72-F124 HydrophobicContact CB-CD1 3.81Å; A72-F124 HydrophobicContact CB-CE1 3.97Å; A72-A125 HydrophobicContact CB-CB 4.28Å; A72-L128 HydrophobicContact CB-CD2 3.98Å
73A95.6Very high93.1Very high6 Ų658.9 Ų58.95%0.0531%0.307CS..Hα-helixtrans-65.7-26.3179.500000114H69 T70 M71 W153 R154H69-A73 WeakPolarHBondContact O-CB 3.35Å; H69-A73 PolarHBondContact O-N 2.9Å; T70-A73 PolarHBondContact O-N 3.31Å; M71-A73 VanDerWaalsContact C-N 3.28Å; M71-A73 PolarHBondContact O-N 3.01Å; A73-W153 HydrophobicContact CB-CB 4.02Å; A73-R154 HydrophobicContact CB-CB 4.11Å; A73-R154 WeakPolarHBondContact O-CD 3.35Å
74Y93.4Very high92.9Very high83 Ų8360 Ų6033%0.32531%0.305SS..Hα-helixtrans-105.82.2-176.7-79.7-97.6000114.3C8 R9 V10 T70 M71 A72 R154C8-Y74 HydrophobicContact CB-CE1 4.38Å; R9-Y74 PolarHBondContact N-OH 3.16Å; V10-Y74 HydrophobicContact CG2-CD2 3.97Å; V10-Y74 HydrophobicContact CG2-CE1 4.21Å; V10-Y74 HydrophobicContact CG2-CE2 3.46Å; V10-Y74 VanDerWaalsContact CG2-CE2 3.46Å; T70-Y74 HydrophobicContact CG2-CD2 4.25Å; T70-Y74 HydrophobicContact CG2-CE2 4.4Å; T70-Y74 WeakPolarHBondContact O-CD2 3.09Å; T70-Y74 PolarHBondContact O-N 3.42Å; M71-Y74 PolarHBondContact O-N 2.79Å; M71-Y74 VanDerWaalsContact O-N 3.14Å; A72-Y74 VanDerWaalsContact C-N 3.26Å; A72-Y74 PolarHBondContact O-N 2.77Å; Y74-R154 HydrophobicContact CD2-CG 4.48Å; Y74-R154 HydrophobicContact CE2-CG 3.92Å
75L93.8Very high92.8Very high26 Ų2666.2 Ų66.214%0.13633%0.326CS..SBendtrans-59.1153.1170.4-66.4168.4000110.9M71 F79 L87 R121 F124M71-L75 PolarHBondContact O-N 2.99Å; L75-F79 HydrophobicContact CB-CE1 3.92Å; L75-F79 HydrophobicContact CD1-CE1 4.24Å; L75-F79 HydrophobicContact CD1-CZ 4.07Å; L75-L87 HydrophobicContact CD1-CD1 3.89Å; L75-L87 HydrophobicContact CD1-CD2 3.9Å; L75-L87 HydrophobicContact CD2-CD2 4.22Å; L75-R121 HydrophobicContact CB-CB 4.46Å; L75-R121 HydrophobicContact CB-CG 4.13Å; L75-R121 WeakPolarHBondContact O-CD 3.4Å; L75-F124 HydrophobicContact CD1-CD1 3.7Å; L75-F124 HydrophobicContact CD1-CE1 4.23Å; L75-F124 HydrophobicContact CD1-CG 4.43Å
76P91.4Very high92.7Very high76 Ų7668.7 Ų68.749%0.49434%0.343SS..  trans-60.8148.1173.6-23.634.7000112.3K78 F79P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 WeakPolarHBondContact CB-O 3.16Å; P76-K78 PolarHBondContact O-N 3.37Å; P76-F79 WeakPolarHBondContact O-CD1 3.23Å; P76-F79 WeakPolarHBondContact O-CE1 3.49Å
77E84.9Confident92.7Very high103 Ų10367.3 Ų67.348%0.48133%0.33SS..SBendtrans-62.9-40.3174.9-165.366.8-132.200111.5R121E77-R121 IonicContact OE2-CZ 3.06Å; E77-R121 IonicContact OE2-NE 3.59Å; E77-R121 IonicContact OE2-NH1 3.64Å; E77-R121 IonicContact OE2-NH2 2.65Å; E77-R121 PolarHBondContact OE2-NH2 3.14Å
78K82.2Confident92.6Very high185 Ų18566.3 Ų66.380%0.80433%0.326SS*.SBendtrans-102.8117.5174.2-66.7-175.9-179.9-178.60109.1P76P76-K78 VanDerWaalsContact C-N 3.3Å; P76-K78 WeakPolarHBondContact CB-O 3.16Å; P76-K78 PolarHBondContact O-N 3.37Å
79F89.7Confident92.6Very high33 Ų3369.9 Ų69.915%0.14534%0.342CS..PPolyproline II helixtrans-76139.6176.4-70.9-10.6000111.5L75 P76 T83 Q84 L87 T118 S120 R121L75-F79 HydrophobicContact CB-CE1 3.92Å; L75-F79 HydrophobicContact CD1-CE1 4.24Å; L75-F79 HydrophobicContact CD1-CZ 4.07Å; P76-F79 WeakPolarHBondContact O-CD1 3.23Å; P76-F79 WeakPolarHBondContact O-CE1 3.49Å; F79-T83 HydrophobicContact CB-CG2 4.15Å; F79-T83 HydrophobicContact CD1-CG2 3.84Å; F79-T83 HydrophobicContact CD2-CG2 4.31Å; F79-T83 HydrophobicContact CE1-CG2 4.29Å; F79-T83 HydrophobicContact CG-CG2 3.84Å; F79-Q84 HydrophobicContact CB-CG 4.45Å; F79-Q84 HydrophobicContact CD2-CG 4.06Å; F79-L87 HydrophobicContact CE2-CD1 3.76Å; F79-L87 HydrophobicContact CZ-CD1 3.76Å; F79-T118 WeakPolarHBondContact CD2-O 3.25Å; F79-T118 VanDerWaalsContact CE2-O 3.23Å; F79-T118 WeakPolarHBondContact CE2-O 3.35Å; F79-S120 WeakPolarHBondContact CE2-O 3.37Å; F79-S120 WeakPolarHBondContact CZ-O 3.26Å; F79-R121 HydrophobicContact CE1-CB 4.28Å; F79-R121 HydrophobicContact CZ-CB 4.49Å
80E84.1Confident92.6Very high153 Ų15372.4 Ų72.472%0.71536%0.355SS*.PPolyproline II helixtrans-70.4166.6168.2-62-174.5165.900110N82 T83E80-N82 PolarHBondContact O-N 3.24Å; E80-T83 PolarHBondContact N-OG1 2.97Å; E80-T83 PolarHBondContact O-N 3.41Å; E80-T83 PolarHBondContact O-OG1 3.24Å
81S78.7Confident92.7Very high97 Ų9770.4 Ų70.468%0.67834%0.343SS*.THydrogen-bonded Turntrans-56.8-23.4-17358.60000114.5R85S81-R85 PolarHBondContact O-NH1 2.93Å
82N92.1Very high92.8Very high74 Ų7473.6 Ų73.640%0.39635%0.353SS..THydrogen-bonded Turntrans-101.8-25-176.1-60.4-9.6000112.9E80 Q84 R85 D86E80-N82 PolarHBondContact O-N 3.24Å; N82-Q84 PolarHBondContact O-N 3.03Å; N82-R85 VanDerWaalsContact CG-NH2 3.34Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 PolarHBondContact OD1-NH2 3.07Å; N82-D86 VanDerWaalsContact O-CG 3.26Å; N82-D86 PolarHBondContact O-N 2.83Å
83T92.6Very high92.8Very high24 Ų2476.5 Ų76.515%0.14737%0.368CS..Hα-helixtrans-54.1-37.9-172.9-50.10000112.8F79 E80 R85 D86 L87F79-T83 HydrophobicContact CB-CG2 4.15Å; F79-T83 HydrophobicContact CD1-CG2 3.84Å; F79-T83 HydrophobicContact CD2-CG2 4.31Å; F79-T83 HydrophobicContact CE1-CG2 4.29Å; F79-T83 HydrophobicContact CG-CG2 3.84Å; E80-T83 PolarHBondContact N-OG1 2.97Å; E80-T83 PolarHBondContact O-N 3.41Å; E80-T83 PolarHBondContact O-OG1 3.24Å; T83-R85 VanDerWaalsContact C-N 3.35Å; T83-R85 PolarHBondContact O-N 3.38Å; T83-D86 PolarHBondContact O-N 2.86Å; T83-L87 HydrophobicContact CG2-CD1 4.04Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CB 3.35Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.38Å; T83-L87 PolarHBondContact O-N 3.04Å
84Q93.9Very high93Very high85 Ų8578.4 Ų78.440%0.39738%0.375SS..Hα-helixtrans-63.4-40.7178.5-55.8-15925.600112.9F79 N82 K88 T118F79-Q84 HydrophobicContact CB-CG 4.45Å; F79-Q84 HydrophobicContact CD2-CG 4.06Å; N82-Q84 PolarHBondContact O-N 3.03Å; Q84-K88 WeakPolarHBondContact O-CG 3.39Å; Q84-K88 PolarHBondContact O-N 3.01Å; Q84-T118 WeakPolarHBondContact CB-OG1 3.42Å; Q84-T118 WeakPolarHBondContact CG-O 3.35Å; Q84-T118 PolarHBondContact O-OG1 2.93Å; Q84-T118 PolarHBondContact OE1-O 3.14Å
85R95.3Very high93.2Very high148 Ų14874.7 Ų74.756%0.55836%0.361SS*.Hα-helixtrans-70.9-42.5177.6-65-165.5-60.4-77.5-1.1109.9S81 N82 T83 L87 K88 E89S81-R85 PolarHBondContact O-NH1 2.93Å; N82-R85 VanDerWaalsContact CG-NH2 3.34Å; N82-R85 PolarHBondContact O-N 2.85Å; N82-R85 PolarHBondContact OD1-NH2 3.07Å; T83-R85 VanDerWaalsContact C-N 3.35Å; T83-R85 PolarHBondContact O-N 3.38Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.76Å; R85-K88 PolarHBondContact O-N 2.71Å; R85-E89 WeakPolarHBondContact O-CB 3.3Å; R85-E89 PolarHBondContact O-N 3.41Å
86D96.8Very high93.4Very high96 Ų9677.4 Ų77.451%0.51338%0.376SS..Hα-helixtrans-63.8-38.7-179-56.8-23.9000111.9N82 T83 E89 L90N82-D86 VanDerWaalsContact O-CG 3.26Å; N82-D86 PolarHBondContact O-N 2.83Å; T83-D86 PolarHBondContact O-N 2.86Å; D86-E89 PolarHBondContact O-N 2.89Å; D86-L90 VanDerWaalsContact O-CB 3.22Å; D86-L90 WeakPolarHBondContact O-CB 3.36Å; D86-L90 PolarHBondContact O-N 2.68Å
87L97.2Very high93.7Very high9 Ų982.4 Ų82.45%0.04739%0.386CS..Hα-helixtrans-67.5-38.7175.7-71.8173000112.8L75 F79 T83 R85 M91 T118 F124L75-L87 HydrophobicContact CD1-CD1 3.89Å; L75-L87 HydrophobicContact CD1-CD2 3.9Å; L75-L87 HydrophobicContact CD2-CD2 4.22Å; F79-L87 HydrophobicContact CE2-CD1 3.76Å; F79-L87 HydrophobicContact CZ-CD1 3.76Å; T83-L87 HydrophobicContact CG2-CD1 4.04Å; T83-L87 HydrophobicContact CG2-CG 4.29Å; T83-L87 WeakPolarHBondContact O-CB 3.35Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.38Å; T83-L87 PolarHBondContact O-N 3.04Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.76Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.9Å; L87-M91 VanDerWaalsContact O-N 3.14Å; L87-T118 HydrophobicContact CB-CG2 3.59Å; L87-T118 HydrophobicContact CD1-CG2 4.13Å; L87-F124 HydrophobicContact CB-CD2 4.41Å; L87-F124 HydrophobicContact CB-CE2 4.07Å; L87-F124 HydrophobicContact CB-CZ 4.43Å; L87-F124 HydrophobicContact CD1-CD1 4.4Å; L87-F124 HydrophobicContact CD1-CD2 4.21Å; L87-F124 HydrophobicContact CD1-CG 4.13Å; L87-F124 HydrophobicContact CD2-CD1 4.38Å; L87-F124 HydrophobicContact CD2-CE1 3.97Å; L87-F124 HydrophobicContact CD2-CE2 4.37Å; L87-F124 HydrophobicContact CD2-CZ 3.96Å
88K97Very high94.3Very high104 Ų10478.9 Ų78.945%0.45237%0.369SS..Hα-helixtrans-65.5-44.1174.3-71.9176.3-177.1-1790110.8Q84 R85 M91 R92 P116 T118Q84-K88 WeakPolarHBondContact O-CG 3.39Å; Q84-K88 PolarHBondContact O-N 3.01Å; R85-K88 PolarHBondContact O-N 2.71Å; K88-M91 PolarHBondContact O-N 3.36Å; K88-R92 PolarHBondContact O-N 3.05Å; K88-P116 HydrophobicContact CG-CB 4.22Å; K88-T118 WeakPolarHBondContact CE-OG1 3.34Å; K88-T118 HydrophobicContact CG-CG2 3.94Å
89E97.8Very high95.1Very high76 Ų7674.4 Ų74.436%0.35536%0.359SS..Hα-helixtrans-65.7-40.7178.3-17859.8-171.600111.8R85 D86 M91 R92 L93R85-E89 WeakPolarHBondContact O-CB 3.3Å; R85-E89 PolarHBondContact O-N 3.41Å; D86-E89 PolarHBondContact O-N 2.89Å; E89-M91 PolarHBondContact O-N 2.93Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE1-CZ 3.34Å; E89-R92 IonicContact OE1-NE 3.6Å; E89-R92 PolarHBondContact OE1-NE 3.36Å; E89-R92 IonicContact OE1-NH2 3.39Å; E89-R92 PolarHBondContact OE1-NH2 3Å; E89-R92 IonicContact OE2-CZ 2.75Å; E89-R92 IonicContact OE2-NE 3.63Å; E89-R92 PolarHBondContact OE2-NE 3.45Å; E89-R92 IonicContact OE2-NH2 3.8Å; E89-L93 HydrophobicContact CG-CD1 3.9Å; E89-L93 HydrophobicContact CG-CG 4.28Å; E89-L93 WeakPolarHBondContact O-CB 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 2.73Å
90L98Very high95.5Very high58 Ų5873.7 Ų73.730%0.30436%0.357SS..Hα-helixtrans-54.8-52172.7174.664.8000110.6M71 D86 R92 L93 F94M71-L90 HydrophobicContact CE-CD2 3.63Å; M71-L90 HydrophobicContact SD-CD2 3.56Å; M71-L90 VanDerWaalsContact SD-CD2 3.56Å; D86-L90 VanDerWaalsContact O-CB 3.22Å; D86-L90 WeakPolarHBondContact O-CB 3.36Å; D86-L90 PolarHBondContact O-N 2.68Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.32Å; L90-L93 PolarHBondContact O-N 2.9Å; L90-F94 WeakPolarHBondContact O-CB 3.17Å; L90-F94 PolarHBondContact O-N 2.93Å
91M98.5Very high96.1Very high1 Ų172.9 Ų72.91%0.00536%0.358CS..Hα-helixtrans-65.4-35.1179.9-65.7-49.4-57.400112.3L68 L87 K88 E89 F94 S95 L111 P116 F124 W127 L131L68-M91 HydrophobicContact CD2-SD 4.42Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.9Å; L87-M91 VanDerWaalsContact O-N 3.14Å; K88-M91 PolarHBondContact O-N 3.36Å; E89-M91 PolarHBondContact O-N 2.93Å; M91-F94 HydrophobicContact CE-CD1 4.1Å; M91-S95 WeakPolarHBondContact O-CB 3.25Å; M91-S95 PolarHBondContact O-N 3.41Å; M91-L111 HydrophobicContact CB-CD1 4.4Å; M91-L111 HydrophobicContact CB-CD2 4.38Å; M91-L111 WeakPolarHBondContact O-CD1 3.22Å; M91-P116 HydrophobicContact CB-CG 3.83Å; M91-P116 HydrophobicContact CG-CB 4.48Å; M91-P116 HydrophobicContact CG-CG 3.97Å; M91-F124 HydrophobicContact CG-CE2 4.24Å; M91-F124 HydrophobicContact CG-CZ 4.26Å; M91-F124 HydrophobicContact SD-CZ 4.27Å; M91-W127 HydrophobicContact CB-CH2 4.34Å; M91-W127 HydrophobicContact CE-CH2 3.81Å; M91-W127 HydrophobicContact CE-CZ3 3.99Å; M91-W127 HydrophobicContact CG-CH2 3.81Å; M91-W127 HydrophobicContact CG-CZ3 3.82Å; M91-W127 HydrophobicContact SD-CH2 4.35Å; M91-W127 HydrophobicContact SD-CZ3 4.12Å; M91-L131 HydrophobicContact CE-CD2 4.16Å
92R98.2Very high97Very high109 Ų10974.6 Ų74.641%0.41135%0.35SS..Hα-helixtrans-62.4-55.3173.8-170.1-166.372.677.7-0.6111.1K88 E89 L90 F94 S95 L96K88-R92 PolarHBondContact O-N 3.05Å; E89-R92 WeakPolarHBondContact O-CB 3.39Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE1-CZ 3.34Å; E89-R92 IonicContact OE1-NE 3.6Å; E89-R92 PolarHBondContact OE1-NE 3.36Å; E89-R92 IonicContact OE1-NH2 3.39Å; E89-R92 PolarHBondContact OE1-NH2 3Å; E89-R92 IonicContact OE2-CZ 2.75Å; E89-R92 IonicContact OE2-NE 3.63Å; E89-R92 PolarHBondContact OE2-NE 3.45Å; E89-R92 IonicContact OE2-NH2 3.8Å; L90-R92 VanDerWaalsContact C-N 3.31Å; L90-R92 PolarHBondContact O-N 3.32Å; R92-F94 VanDerWaalsContact C-N 3.32Å; R92-F94 PolarHBondContact O-N 3.49Å; R92-S95 PolarHBondContact O-N 3.46Å; R92-S95 VanDerWaalsContact O-N 3.15Å; R92-S95 PolarHBondContact O-OG 3.49Å; R92-L96 PolarHBondContact O-N 3.37Å
93L98.5Very high97.3Very high61 Ų6172.5 Ų72.532%0.31934%0.341SS..Hα-helixtrans-60-44.1178.3-69.2171.5000110.9E89 L90 S95 L96 Y97E89-L93 HydrophobicContact CG-CD1 3.9Å; E89-L93 HydrophobicContact CG-CG 4.28Å; E89-L93 WeakPolarHBondContact O-CB 3.27Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 2.73Å; L90-L93 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 3.29Å; L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.46Å; L93-Y97 HydrophobicContact CB-CD2 4.44Å; L93-Y97 HydrophobicContact CD2-CE2 4.02Å; L93-Y97 WeakPolarHBondContact O-CD2 3.43Å; L93-Y97 PolarHBondContact O-N 3.16Å
94F98Very high97.6Very high45 Ų4571.5 Ų71.520%0.19734%0.335CS..Hα-helixtrans-55.7-42.4176-179.2-98.5000111.5T64 L68 L90 M91 R92 L96 Y97 Y98 L107T64-F94 HydrophobicContact CG2-CE1 4.32Å; T64-F94 HydrophobicContact CG2-CE2 3.8Å; T64-F94 HydrophobicContact CG2-CZ 3.29Å; L68-F94 HydrophobicContact CD1-CE1 4.06Å; L68-F94 HydrophobicContact CD1-CZ 4.08Å; L90-F94 WeakPolarHBondContact O-CB 3.17Å; L90-F94 PolarHBondContact O-N 2.93Å; M91-F94 HydrophobicContact CE-CD1 4.1Å; R92-F94 VanDerWaalsContact C-N 3.32Å; R92-F94 PolarHBondContact O-N 3.49Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 3.46Å; F94-Y97 PolarHBondContact O-N 2.9Å; F94-Y98 HydrophobicContact CE1-CD2 4.05Å; F94-Y98 AromaticContact CE2-CD2 3.71Å; F94-Y98 HydrophobicContact CE2-CD2 3.71Å; F94-Y98 HydrophobicContact CE2-CE2 4.19Å; F94-Y98 AromaticContact CZ-CD2 3.27Å; F94-Y98 HydrophobicContact CZ-CD2 3.27Å; F94-Y98 AromaticContact CZ-CE2 3.62Å; F94-Y98 HydrophobicContact CZ-CE2 3.62Å; F94-Y98 HydrophobicContact CZ-CG 4.13Å; F94-Y98 WeakPolarHBondContact O-CB 3.48Å; F94-Y98 PolarHBondContact O-N 2.87Å; F94-L107 HydrophobicContact CD1-CD2 3.61Å; F94-L107 HydrophobicContact CE1-CD2 3.65Å
95S98.1Very high97.8Very high5 Ų570.2 Ų70.24%0.03534%0.336CS..Hα-helixtrans-69.3-18.1175.878.90000115.4M91 R92 L93 R108M91-S95 WeakPolarHBondContact O-CB 3.25Å; M91-S95 PolarHBondContact O-N 3.41Å; R92-S95 PolarHBondContact O-N 3.46Å; R92-S95 VanDerWaalsContact O-N 3.15Å; R92-S95 PolarHBondContact O-OG 3.49Å; L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 3.29Å; S95-R108 PolarHBondContact O-NH1 2.98Å; S95-R108 WeakPolarHBondContact OG-CG 3.39Å
96L98.1Very high97.9Very high83 Ų8365.5 Ų65.544%0.43532%0.322SS..Hα-helixtrans-86.3-36175.3-68.6177.2000112.3R92 L93 F94R92-L96 PolarHBondContact O-N 3.37Å; L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.46Å; F94-L96 VanDerWaalsContact C-N 3.27Å; F94-L96 PolarHBondContact O-N 3.46Å
97Y98.2Very high97.9Very high181 Ų18162 Ų6271%0.7130%0.303SS*.Hα-helixtrans-105.40.4-171.6-64.3-70.5000114.2L93 F94L93-Y97 HydrophobicContact CB-CD2 4.44Å; L93-Y97 HydrophobicContact CD2-CE2 4.02Å; L93-Y97 WeakPolarHBondContact O-CD2 3.43Å; L93-Y97 PolarHBondContact O-N 3.16Å; F94-Y97 PolarHBondContact O-N 2.9Å
98Y98.3Very high98Very high30 Ų3065.9 Ų65.912%0.11832%0.317CS..  trans-66.1123.9174.4-161.8-107.7000110.5L60 G61 T64 F94 C100 C103 A104L60-Y98 HydrophobicContact CD2-CE2 4.39Å; L60-Y98 HydrophobicContact CG-CE2 4.4Å; G61-Y98 WeakPolarHBondContact CA-OH 3.42Å; T64-Y98 HydrophobicContact CG2-CD2 4.49Å; T64-Y98 HydrophobicContact CG2-CE2 3.67Å; T64-Y98 WeakPolarHBondContact OG1-CE2 3.12Å; F94-Y98 HydrophobicContact CE1-CD2 4.05Å; F94-Y98 AromaticContact CE2-CD2 3.71Å; F94-Y98 HydrophobicContact CE2-CD2 3.71Å; F94-Y98 HydrophobicContact CE2-CE2 4.19Å; F94-Y98 AromaticContact CZ-CD2 3.27Å; F94-Y98 HydrophobicContact CZ-CD2 3.27Å; F94-Y98 AromaticContact CZ-CE2 3.62Å; F94-Y98 HydrophobicContact CZ-CE2 3.62Å; F94-Y98 HydrophobicContact CZ-CG 4.13Å; F94-Y98 WeakPolarHBondContact O-CB 3.48Å; F94-Y98 PolarHBondContact O-N 2.87Å; Y98-C100 VanDerWaalsContact C-N 3.33Å; Y98-C100 HydrophobicContact CD1-CB 4.17Å; Y98-C100 HydrophobicContact CE1-CB 4.03Å; Y98-C100 PolarHBondContact O-N 3.48Å; Y98-C103 HydrophobicContact CD1-CB 4.03Å; Y98-C103 HydrophobicContact CE1-CB 3.94Å; Y98-A104 WeakPolarHBondContact O-CB 3.41Å
99P98Very high98Very high91 Ų9165.9 Ų65.959%0.59132%0.318SS*.SBendtrans-79.8-9-161.531.7-39000114.8L60 D101L60-P99 HydrophobicContact CD2-CG 3.38Å; P99-D101 PolarHBondContact O-N 3.39Å
100C98Very high98.1Very high17 Ų1764.3 Ų64.312%0.11531%0.311CS..SBendtrans-86.6102.7170.6168.60000109Y98 Y102 C103 A104Y98-C100 VanDerWaalsContact C-N 3.33Å; Y98-C100 HydrophobicContact CD1-CB 4.17Å; Y98-C100 HydrophobicContact CE1-CB 4.03Å; Y98-C100 PolarHBondContact O-N 3.48Å; C100-Y102 PolarHBondContact O-N 3.32Å; C100-Y102 VanDerWaalsContact SG-CE1 3.51Å; C100-Y102 VanDerWaalsContact SG-CZ 3.56Å; C100-C103 HydrophobicContact CB-CB 3.56Å; C100-C103 WeakPolarHBondContact CB-SG 3.48Å; C100-C103 WeakPolarHBondContact O-CB 3.1Å; C100-C103 PolarHBondContact O-N 3.43Å; C100-C103 VanDerWaalsContact O-N 3.09Å; C100-C103 WeakPolarHBondContact SG-CB 3.22Å; C100-C103 PolarHBondContact SG-N 2.95Å; C100-C103 VanDerWaalsContact SG-N 3.41Å; C100-C103 CovalentContact SG-SG 2.05Å; C100-C103 PolarHBondContact SG-SG 3.49Å; C100-A104 WeakPolarHBondContact O-CB 3.37Å; C100-A104 PolarHBondContact O-N 3.33Å
101D97.4Very high98.1Very high136 Ų13662.6 Ų62.673%0.72730%0.302SS*.Hα-helixtrans-51.4-51-171.8-69.6-32.1000114.2P99 A104 S105P99-D101 PolarHBondContact O-N 3.39Å; D101-A104 PolarHBondContact O-N 3.29Å; D101-S105 WeakPolarHBondContact O-CB 3.4Å; D101-S105 PolarHBondContact O-N 2.95Å
102Y97.1Very high98Very high133 Ų13368.5 Ų68.552%0.52234%0.338SS..Hα-helixtrans-68.1-43.6179.763.8-92.8000110.9K57 C100 A104 S105 D106K57-Y102 HydrophobicContact CD-CE2 4.39Å; K57-Y102 WeakPolarHBondContact CD-OH 3.28Å; K57-Y102 VanDerWaalsContact CE-OH 3.22Å; K57-Y102 WeakPolarHBondContact CE-OH 3.47Å; C100-Y102 PolarHBondContact O-N 3.32Å; C100-Y102 VanDerWaalsContact SG-CE1 3.51Å; C100-Y102 VanDerWaalsContact SG-CZ 3.56Å; Y102-A104 VanDerWaalsContact C-N 3.25Å; Y102-A104 PolarHBondContact O-N 3Å; Y102-S105 WeakPolarHBondContact O-CB 3.4Å; Y102-S105 PolarHBondContact O-N 3.37Å; Y102-S105 VanDerWaalsContact O-N 3.14Å; Y102-D106 PolarHBondContact O-N 3.37Å
103C98.1Very high98Very high31 Ų3169.7 Ų69.721%0.20935%0.346CS..Hα-helixtrans-56.2-42175.5-48.80000111.7Y98 C100 L107Y98-C103 HydrophobicContact CD1-CB 4.03Å; Y98-C103 HydrophobicContact CE1-CB 3.94Å; C100-C103 HydrophobicContact CB-CB 3.56Å; C100-C103 WeakPolarHBondContact CB-SG 3.48Å; C100-C103 WeakPolarHBondContact O-CB 3.1Å; C100-C103 PolarHBondContact O-N 3.43Å; C100-C103 VanDerWaalsContact O-N 3.09Å; C100-C103 WeakPolarHBondContact SG-CB 3.22Å; C100-C103 PolarHBondContact SG-N 2.95Å; C100-C103 VanDerWaalsContact SG-N 3.41Å; C100-C103 CovalentContact SG-SG 2.05Å; C100-C103 PolarHBondContact SG-SG 3.49Å; C103-L107 WeakPolarHBondContact O-CB 3.23Å; C103-L107 PolarHBondContact O-N 3.41Å
104A98.3Very high98Very high2 Ų270.7 Ų70.72%0.01735%0.351CS..Hα-helixtrans-69.4-41.4178.600000111.6Y98 C100 D101 Y102 L107 R108Y98-A104 WeakPolarHBondContact O-CB 3.41Å; C100-A104 WeakPolarHBondContact O-CB 3.37Å; C100-A104 PolarHBondContact O-N 3.33Å; D101-A104 PolarHBondContact O-N 3.29Å; Y102-A104 VanDerWaalsContact C-N 3.25Å; Y102-A104 PolarHBondContact O-N 3Å; A104-L107 PolarHBondContact O-N 2.73Å; A104-R108 WeakPolarHBondContact O-CG 3.35Å; A104-R108 PolarHBondContact O-N 3.19Å; A104-R108 PolarHBondContact O-NH1 3.34Å
105S98.2Very high98Very high59 Ų5972.3 Ų72.341%0.41337%0.367SS..Hα-helixtrans-60-46.7174.5-167.50000112D101 Y102 L107 R108 E109D101-S105 WeakPolarHBondContact O-CB 3.4Å; D101-S105 PolarHBondContact O-N 2.95Å; Y102-S105 WeakPolarHBondContact O-CB 3.4Å; Y102-S105 PolarHBondContact O-N 3.37Å; Y102-S105 VanDerWaalsContact O-N 3.14Å; S105-L107 VanDerWaalsContact C-N 3.31Å; S105-L107 PolarHBondContact O-N 2.89Å; S105-R108 VanDerWaalsContact CA-NH2 3.33Å; S105-R108 PolarHBondContact O-N 2.81Å; S105-E109 PolarHBondContact O-N 3.48Å
106D97.7Very high98Very high49 Ų4972.8 Ų72.826%0.26237%0.37SS..Hα-helixtrans-63.3-39.4177.3-62.7-58.8000111.6Y102 E109 H110 R138Y102-D106 PolarHBondContact O-N 3.37Å; D106-E109 PolarHBondContact O-N 3.41Å; D106-H110 WeakPolarHBondContact O-CB 3.03Å; D106-H110 PolarHBondContact O-N 3.44Å; D106-R138 VanDerWaalsContact CG-CZ 3.43Å; D106-R138 VanDerWaalsContact CG-NH2 3.28Å; D106-R138 IonicContact OD1-CZ 3.55Å; D106-R138 IonicContact OD1-NH1 3.53Å; D106-R138 IonicContact OD1-NH2 3.26Å; D106-R138 PolarHBondContact OD1-NH2 3.02Å; D106-R138 IonicContact OD2-CZ 3.04Å; D106-R138 IonicContact OD2-NH1 2.59Å; D106-R138 PolarHBondContact OD2-NH1 2.93Å; D106-R138 IonicContact OD2-NH2 2.71Å; D106-R138 PolarHBondContact OD2-NH2 3.12Å
107L98.3Very high97.9Very high21 Ų2172.2 Ų72.211%0.1137%0.369CS..Hα-helixtrans-63.3-45.5174.5177.659.3000111.3F94 C103 A104 S105 E109 H110 L111 L131F94-L107 HydrophobicContact CD1-CD2 3.61Å; F94-L107 HydrophobicContact CE1-CD2 3.65Å; C103-L107 WeakPolarHBondContact O-CB 3.23Å; C103-L107 PolarHBondContact O-N 3.41Å; A104-L107 PolarHBondContact O-N 2.73Å; S105-L107 VanDerWaalsContact C-N 3.31Å; S105-L107 PolarHBondContact O-N 2.89Å; L107-E109 PolarHBondContact O-N 2.04Å; L107-H110 WeakPolarHBondContact O-CB 3.35Å; L107-H110 PolarHBondContact O-N 2.81Å; L107-H110 VanDerWaalsContact O-N 3.16Å; L107-L111 HydrophobicContact CD1-CD1 4.45Å; L107-L111 HydrophobicContact CD1-CD2 4.25Å; L107-L111 HydrophobicContact CD1-CG 4.07Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.22Å; L107-L131 HydrophobicContact CD1-CD1 3.82Å; L107-L131 HydrophobicContact CD1-CD2 3.84Å; L107-L131 HydrophobicContact CD1-CG 4.45Å
108R98.3Very high97.8Very high92 Ų9263.8 Ų63.835%0.34734%0.337SS..Hα-helixtrans-58.7-46.2177.1-74.3-174-59.1-92.46.4111.8S95 A104 S105 H110 L111 V112S95-R108 PolarHBondContact O-NH1 2.98Å; S95-R108 WeakPolarHBondContact OG-CG 3.39Å; A104-R108 WeakPolarHBondContact O-CG 3.35Å; A104-R108 PolarHBondContact O-N 3.19Å; A104-R108 PolarHBondContact O-NH1 3.34Å; S105-R108 VanDerWaalsContact CA-NH2 3.33Å; S105-R108 PolarHBondContact O-N 2.81Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 2.88Å; R108-L111 PolarHBondContact O-N 3.01Å; R108-V112 PolarHBondContact O-N 2.65Å
109E98Very high97.6Very high103 Ų10366.1 Ų66.148%0.48136%0.358SS..Hα-helixtrans-61.5-41.3175.8-172.4-176.6166.800111.5S105 D106 L107 L111 V112 K113S105-E109 PolarHBondContact O-N 3.48Å; D106-E109 PolarHBondContact O-N 3.41Å; L107-E109 PolarHBondContact O-N 2.04Å; E109-L111 PolarHBondContact O-N 3.32Å; E109-V112 PolarHBondContact O-N 2.81Å; E109-K113 PolarHBondContact O-N 2.75Å; E109-K113 WeakPolarHBondContact OE1-CE 3.04Å; E109-K113 IonicContact OE1-NZ 2.61Å; E109-K113 PolarHBondContact OE1-NZ 3.19Å
110H98Very high97.4Very high43 Ų4363.3 Ų63.320%0.19934%0.34CS..Hα-helixtrans-62.3-43.1176.4-169.599.9000112.1D106 L107 R108 V112 K113 N114 L131D106-H110 WeakPolarHBondContact O-CB 3.03Å; D106-H110 PolarHBondContact O-N 3.44Å; L107-H110 WeakPolarHBondContact O-CB 3.35Å; L107-H110 PolarHBondContact O-N 2.81Å; L107-H110 VanDerWaalsContact O-N 3.16Å; R108-H110 VanDerWaalsContact C-N 3.3Å; R108-H110 PolarHBondContact O-N 2.88Å; H110-V112 VanDerWaalsContact C-N 3.25Å; H110-V112 PolarHBondContact O-N 3.4Å; H110-K113 PolarHBondContact O-N 3.45Å; H110-K113 VanDerWaalsContact O-N 3.12Å; H110-N114 PolarHBondContact O-N 2.79Å; H110-L131 HydrophobicContact CB-CD1 4.38Å; H110-L131 WeakPolarHBondContact CD2-CD1 3.45Å
111L98.2Very high97.3Very high23 Ų2364.6 Ų64.612%0.1234%0.343CS..Hα-helixtrans-63.9-29.2-179.9-69.6-178000112.8M91 L107 R108 E109 P115 P116 W127M91-L111 HydrophobicContact CB-CD1 4.4Å; M91-L111 HydrophobicContact CB-CD2 4.38Å; M91-L111 WeakPolarHBondContact O-CD1 3.22Å; L107-L111 HydrophobicContact CD1-CD1 4.45Å; L107-L111 HydrophobicContact CD1-CD2 4.25Å; L107-L111 HydrophobicContact CD1-CG 4.07Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.38Å; L107-L111 PolarHBondContact O-N 3.22Å; R108-L111 PolarHBondContact O-N 3.01Å; E109-L111 PolarHBondContact O-N 3.32Å; L111-P115 WeakPolarHBondContact O-CA 3.2Å; L111-P116 HydrophobicContact CD2-CG 4.22Å; L111-W127 HydrophobicContact CD2-CH2 3.73Å; L111-W127 HydrophobicContact CD2-CZ2 3.57Å
112V97.8Very high97.2Very high124 Ų12462 Ų6275%0.75233%0.326SS*.Hα-helixtrans-67.1-43.8172.6174.10000110.9R108 E109 H110R108-V112 PolarHBondContact O-N 2.65Å; E109-V112 PolarHBondContact O-N 2.81Å; H110-V112 VanDerWaalsContact C-N 3.25Å; H110-V112 PolarHBondContact O-N 3.4Å
113K97.8Very high97.1Very high135 Ų13556.7 Ų56.759%0.58731%0.31SS*.Hα-helixtrans-80-34.1-176.2-63178-171.2173.40113E109 H110E109-K113 PolarHBondContact O-N 2.75Å; E109-K113 WeakPolarHBondContact OE1-CE 3.04Å; E109-K113 IonicContact OE1-NZ 2.61Å; E109-K113 PolarHBondContact OE1-NZ 3.19Å; H110-K113 PolarHBondContact O-N 3.45Å; H110-K113 VanDerWaalsContact O-N 3.12Å
114N97.9Very high97.1Very high81 Ų8155.2 Ų55.243%0.43330%0.3SS..SBendtrans-135.173.9-173.6-57.2-76.1000110H110 W127H110-N114 PolarHBondContact O-N 2.79Å; N114-W127 PolarHBondContact O-NE1 3.31Å
115P97.8Very high97Very high80 Ų8055.6 Ų55.652%0.51930%0.303SS..  trans-62.6153.8-176.226.2-35.3000112.4L111 V117 W127L111-P115 WeakPolarHBondContact O-CA 3.2Å; P115-V117 PolarHBondContact O-N 2.95Å; P115-W127 PolarHBondContact O-NE1 3.39Å; P115-W127 VanDerWaalsContact O-NE1 3.14Å
116P98Very high97Very high15 Ų1554.4 Ų54.410%0.09729%0.294CS..  trans-56.6127.8179.3-22.531.1000113.7K88 M91 L111 T118 F124 W127K88-P116 HydrophobicContact CG-CB 4.22Å; M91-P116 HydrophobicContact CB-CG 3.83Å; M91-P116 HydrophobicContact CG-CB 4.48Å; M91-P116 HydrophobicContact CG-CG 3.97Å; L111-P116 HydrophobicContact CD2-CG 4.22Å; P116-T118 HydrophobicContact CB-CG2 4.08Å; P116-F124 HydrophobicContact CB-CE2 4.29Å; P116-W127 VanDerWaalsContact CA-CE2 3.44Å; P116-W127 HydrophobicContact CB-CD2 4.24Å; P116-W127 HydrophobicContact CB-CE3 4.25Å; P116-W127 HydrophobicContact CB-CH2 4.03Å; P116-W127 HydrophobicContact CB-CZ2 4.01Å; P116-W127 HydrophobicContact CB-CZ3 4.15Å; P116-W127 HydrophobicContact CG-CH2 3.7Å; P116-W127 HydrophobicContact CG-CZ2 3.69Å; P116-W127 HydrophobicContact CG-CZ3 4.28Å
117V97Very high97.1Very high71 Ų7152.6 Ų52.643%0.4328%0.284SS..  trans-89.7106.3173.6-1730000109.1P115 A123 F124 W127P115-V117 PolarHBondContact O-N 2.95Å; V117-A123 HydrophobicContact CG1-CB 3.84Å; V117-A123 CarbonylContact O-C 3.44Å; V117-F124 WeakPolarHBondContact O-CA 3.38Å; V117-F124 WeakPolarHBondContact O-CB 3.05Å; V117-F124 PolarHBondContact O-N 3.41Å; V117-F124 VanDerWaalsContact O-N 3.16Å; V117-W127 HydrophobicContact CB-CB 4.15Å; V117-W127 HydrophobicContact CB-CG 4.48Å; V117-W127 HydrophobicContact CG2-CB 4.36Å; V117-W127 HydrophobicContact CG2-CG 4.39Å
118T95.9Very high97.1Very high4 Ų451.6 Ų51.63%0.02528%0.278CS..  trans-116.530.2-170.7600000112.5F79 Q84 L87 K88 P116 F124F79-T118 WeakPolarHBondContact CD2-O 3.25Å; F79-T118 VanDerWaalsContact CE2-O 3.23Å; F79-T118 WeakPolarHBondContact CE2-O 3.35Å; Q84-T118 WeakPolarHBondContact CB-OG1 3.42Å; Q84-T118 WeakPolarHBondContact CG-O 3.35Å; Q84-T118 PolarHBondContact O-OG1 2.93Å; Q84-T118 PolarHBondContact OE1-O 3.14Å; L87-T118 HydrophobicContact CB-CG2 3.59Å; L87-T118 HydrophobicContact CD1-CG2 4.13Å; K88-T118 WeakPolarHBondContact CE-OG1 3.34Å; K88-T118 HydrophobicContact CG-CG2 3.94Å; P116-T118 HydrophobicContact CB-CG2 4.08Å; T118-F124 HydrophobicContact CG2-CD2 3.82Å; T118-F124 HydrophobicContact CG2-CE2 4.26Å
119S94Very high97.1Very high79 Ų7947.3 Ų47.355%0.55226%0.263SS*.SBendtrans-76.4-25.5-178.551.60000113.5A123S119-A123 VanDerWaalsContact OG-CB 3.28Å; S119-A123 WeakPolarHBondContact OG-CB 3.44Å
120S94.5Very high97.1Very high32 Ų3248 Ų4822%0.22427%0.266CS..SBendtrans-158.5170175.670.20000110.5F79 Q122 A123 F124F79-S120 WeakPolarHBondContact CE2-O 3.37Å; F79-S120 WeakPolarHBondContact CZ-O 3.26Å; S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.04Å; S120-Q122 PolarHBondContact OG-N 3.14Å; S120-A123 PolarHBondContact O-N 3.29Å; S120-A123 PolarHBondContact OG-N 3.41Å; S120-A123 VanDerWaalsContact OG-N 3.14Å; S120-F124 PolarHBondContact O-N 3.03Å
121R94.9Very high97.2Very high44 Ų4446 Ų4617%0.16626%0.257CS..Hα-helixtrans-52.7-50.1171.6-178.2-172.574-163.5-11.4111.5A72 L75 E77 F79 A123 F124 A125A72-R121 VanDerWaalsContact O-CG 3.26Å; A72-R121 WeakPolarHBondContact O-CG 3.3Å; L75-R121 HydrophobicContact CB-CB 4.46Å; L75-R121 HydrophobicContact CB-CG 4.13Å; L75-R121 WeakPolarHBondContact O-CD 3.4Å; E77-R121 IonicContact OE2-CZ 3.06Å; E77-R121 IonicContact OE2-NE 3.59Å; E77-R121 IonicContact OE2-NH1 3.64Å; E77-R121 IonicContact OE2-NH2 2.65Å; E77-R121 PolarHBondContact OE2-NH2 3.14Å; F79-R121 HydrophobicContact CE1-CB 4.28Å; F79-R121 HydrophobicContact CZ-CB 4.49Å; R121-A123 VanDerWaalsContact C-N 3.32Å; R121-A123 PolarHBondContact O-N 2.98Å; R121-F124 PolarHBondContact O-N 3Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.35Å
122Q95.1Very high97.2Very high81 Ų8146.7 Ų46.738%0.37926%0.259SS..Hα-helixtrans-62.5-40.7-177.8-174.660.732.400111.7S120 S126S120-Q122 VanDerWaalsContact C-N 3.31Å; S120-Q122 PolarHBondContact O-N 3.04Å; S120-Q122 PolarHBondContact OG-N 3.14Å; Q122-S126 VanDerWaalsContact O-CB 3.23Å; Q122-S126 WeakPolarHBondContact O-CB 3.46Å; Q122-S126 PolarHBondContact O-N 3.15Å
123A95.7Very high97.2Very high22 Ų2241.8 Ų41.818%0.18223%0.229CC..Hα-helixtrans-64.8-43.7178.600000111.6V117 S119 S120 R121 S126 W127V117-A123 HydrophobicContact CG1-CB 3.84Å; V117-A123 CarbonylContact O-C 3.44Å; S119-A123 VanDerWaalsContact OG-CB 3.28Å; S119-A123 WeakPolarHBondContact OG-CB 3.44Å; S120-A123 PolarHBondContact O-N 3.29Å; S120-A123 PolarHBondContact OG-N 3.41Å; S120-A123 VanDerWaalsContact OG-N 3.14Å; R121-A123 VanDerWaalsContact C-N 3.32Å; R121-A123 PolarHBondContact O-N 2.98Å; A123-S126 PolarHBondContact O-N 3.33Å; A123-W127 WeakPolarHBondContact O-CB 3.36Å; A123-W127 PolarHBondContact O-N 3.21Å
124F97.3Very high97.3Very high0 Ų037.3 Ų37.30%022%0.217CC..Hα-helixtrans-67.7-44.7178.3-174.5-104.7000112.4M71 A72 L75 L87 M91 P116 V117 T118 S120 R121 S126 W127 L128M71-F124 HydrophobicContact CE-CE1 3.88Å; M71-F124 HydrophobicContact CE-CZ 4.33Å; A72-F124 HydrophobicContact CB-CD1 3.81Å; A72-F124 HydrophobicContact CB-CE1 3.97Å; L75-F124 HydrophobicContact CD1-CD1 3.7Å; L75-F124 HydrophobicContact CD1-CE1 4.23Å; L75-F124 HydrophobicContact CD1-CG 4.43Å; L87-F124 HydrophobicContact CB-CD2 4.41Å; L87-F124 HydrophobicContact CB-CE2 4.07Å; L87-F124 HydrophobicContact CB-CZ 4.43Å; L87-F124 HydrophobicContact CD1-CD1 4.4Å; L87-F124 HydrophobicContact CD1-CD2 4.21Å; L87-F124 HydrophobicContact CD1-CG 4.13Å; L87-F124 HydrophobicContact CD2-CD1 4.38Å; L87-F124 HydrophobicContact CD2-CE1 3.97Å; L87-F124 HydrophobicContact CD2-CE2 4.37Å; L87-F124 HydrophobicContact CD2-CZ 3.96Å; M91-F124 HydrophobicContact CG-CE2 4.24Å; M91-F124 HydrophobicContact CG-CZ 4.26Å; M91-F124 HydrophobicContact SD-CZ 4.27Å; P116-F124 HydrophobicContact CB-CE2 4.29Å; V117-F124 WeakPolarHBondContact O-CA 3.38Å; V117-F124 WeakPolarHBondContact O-CB 3.05Å; V117-F124 PolarHBondContact O-N 3.41Å; V117-F124 VanDerWaalsContact O-N 3.16Å; T118-F124 HydrophobicContact CG2-CD2 3.82Å; T118-F124 HydrophobicContact CG2-CE2 4.26Å; S120-F124 PolarHBondContact O-N 3.03Å; R121-F124 PolarHBondContact O-N 3Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-S126 PolarHBondContact O-N 2.98Å; F124-W127 HydrophobicContact CD2-CE3 4.25Å; F124-W127 HydrophobicContact CE2-CE3 4.01Å; F124-W127 HydrophobicContact CE2-CZ3 4.03Å; F124-W127 HydrophobicContact CZ-CZ3 4.43Å; F124-W127 PolarHBondContact O-N 3.24Å; F124-L128 WeakPolarHBondContact O-CB 3.45Å; F124-L128 PolarHBondContact O-N 2.91Å
125A97.7Very high97.3Very high9 Ų935.9 Ų35.97%0.07421%0.211CC..Hα-helixtrans-61.2-43176.200000111.8A72 R121 L128 C129 L149A72-A125 HydrophobicContact CB-CB 4.28Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.35Å; A125-L128 PolarHBondContact O-N 3.27Å; A125-C129 PolarHBondContact O-N 3.18Å; A125-L149 HydrophobicContact CB-CD1 4.24Å; A125-L149 WeakPolarHBondContact O-CD1 3.37Å
126S97.9Very high97.3Very high34 Ų3432.9 Ų32.924%0.23819%0.191CC..Hα-helixtrans-63.5-44.1175.5-177.10000111.9Q122 A123 F124 L128 C129 Q130Q122-S126 VanDerWaalsContact O-CB 3.23Å; Q122-S126 WeakPolarHBondContact O-CB 3.46Å; Q122-S126 PolarHBondContact O-N 3.15Å; A123-S126 PolarHBondContact O-N 3.33Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-S126 PolarHBondContact O-N 2.98Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.84Å; S126-C129 WeakPolarHBondContact O-CB 3.24Å; S126-C129 PolarHBondContact O-N 3.46Å; S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 2.92Å
127W98.4Very high97.3Very high11 Ų1139.9 Ų39.94%0.04222%0.22CC..Hα-helixtrans-60-44.7175.5171.386.8000111.6M91 L111 N114 P115 P116 V117 A123 F124 C129 Q130 L131M91-W127 HydrophobicContact CB-CH2 4.34Å; M91-W127 HydrophobicContact CE-CH2 3.81Å; M91-W127 HydrophobicContact CE-CZ3 3.99Å; M91-W127 HydrophobicContact CG-CH2 3.81Å; M91-W127 HydrophobicContact CG-CZ3 3.82Å; M91-W127 HydrophobicContact SD-CH2 4.35Å; M91-W127 HydrophobicContact SD-CZ3 4.12Å; L111-W127 HydrophobicContact CD2-CH2 3.73Å; L111-W127 HydrophobicContact CD2-CZ2 3.57Å; N114-W127 PolarHBondContact O-NE1 3.31Å; P115-W127 PolarHBondContact O-NE1 3.39Å; P115-W127 VanDerWaalsContact O-NE1 3.14Å; P116-W127 VanDerWaalsContact CA-CE2 3.44Å; P116-W127 HydrophobicContact CB-CD2 4.24Å; P116-W127 HydrophobicContact CB-CE3 4.25Å; P116-W127 HydrophobicContact CB-CH2 4.03Å; P116-W127 HydrophobicContact CB-CZ2 4.01Å; P116-W127 HydrophobicContact CB-CZ3 4.15Å; P116-W127 HydrophobicContact CG-CH2 3.7Å; P116-W127 HydrophobicContact CG-CZ2 3.69Å; P116-W127 HydrophobicContact CG-CZ3 4.28Å; V117-W127 HydrophobicContact CB-CB 4.15Å; V117-W127 HydrophobicContact CB-CG 4.48Å; V117-W127 HydrophobicContact CG2-CB 4.36Å; V117-W127 HydrophobicContact CG2-CG 4.39Å; A123-W127 WeakPolarHBondContact O-CB 3.36Å; A123-W127 PolarHBondContact O-N 3.21Å; F124-W127 HydrophobicContact CD2-CE3 4.25Å; F124-W127 HydrophobicContact CE2-CE3 4.01Å; F124-W127 HydrophobicContact CE2-CZ3 4.03Å; F124-W127 HydrophobicContact CZ-CZ3 4.43Å; F124-W127 PolarHBondContact O-N 3.24Å; W127-C129 VanDerWaalsContact C-N 3.29Å; W127-C129 PolarHBondContact O-N 3.17Å; W127-Q130 PolarHBondContact O-N 2.85Å; W127-Q130 VanDerWaalsContact O-N 3.15Å; W127-L131 HydrophobicContact CH2-CD2 3.76Å; W127-L131 HydrophobicContact CZ2-CD2 4.22Å; W127-L131 HydrophobicContact CZ3-CD2 4.19Å; W127-L131 PolarHBondContact O-N 2.9Å
128L98.6Very high97.3Very high0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-62.9-37178.6-174.567.4000111.9W65 L68 H69 A72 F124 A125 S126 L131 H132W65-L128 HydrophobicContact CZ3-CD1 3.98Å; L68-L128 VanDerWaalsContact C-CD2 3.47Å; L68-L128 HydrophobicContact CB-CD1 4.22Å; L68-L128 HydrophobicContact CB-CD2 3.79Å; L68-L128 HydrophobicContact CD1-CD1 4.31Å; L68-L128 WeakPolarHBondContact O-CD2 3.48Å; H69-L128 HydrophobicContact CB-CD2 4.45Å; A72-L128 HydrophobicContact CB-CD2 3.98Å; F124-L128 WeakPolarHBondContact O-CB 3.45Å; F124-L128 PolarHBondContact O-N 2.91Å; A125-L128 PolarHBondContact O-N 3.27Å; S126-L128 VanDerWaalsContact C-N 3.34Å; S126-L128 PolarHBondContact O-N 2.84Å; L128-L131 HydrophobicContact CD1-CD2 4.3Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.9Å
129C98.7Very high97.4Very high3 Ų347.7 Ų47.72%0.0225%0.247CC..Hα-helixtrans-63.3-44.8172.7-176.80000112.6A125 S126 W127 H132 N133 C146 L149A125-C129 PolarHBondContact O-N 3.18Å; S126-C129 WeakPolarHBondContact O-CB 3.24Å; S126-C129 PolarHBondContact O-N 3.46Å; W127-C129 VanDerWaalsContact C-N 3.29Å; W127-C129 PolarHBondContact O-N 3.17Å; C129-H132 PolarHBondContact O-N 3.15Å; C129-N133 WeakPolarHBondContact O-CB 3.44Å; C129-N133 PolarHBondContact O-N 2.81Å; C129-C146 HydrophobicContact CB-CB 3.82Å; C129-C146 WeakPolarHBondContact CB-SG 3.39Å; C129-C146 WeakPolarHBondContact SG-CA 3.38Å; C129-C146 WeakPolarHBondContact SG-CB 3.43Å; C129-C146 CovalentContact SG-SG 2.04Å; C129-C146 PolarHBondContact SG-SG 3.32Å; C129-L149 HydrophobicContact CB-CD1 3.75Å; C129-L149 HydrophobicContact CB-CD2 3.77Å; C129-L149 HydrophobicContact CB-CG 4.17Å
130Q98.5Very high97.6Very high116 Ų11647.4 Ų47.454%0.54226%0.257SS..Hα-helixtrans-64.3-40.9177.8-69173.816.300111.7S126 W127 N133 A134S126-Q130 WeakPolarHBondContact O-CG 3.44Å; S126-Q130 PolarHBondContact O-N 2.92Å; W127-Q130 PolarHBondContact O-N 2.85Å; W127-Q130 VanDerWaalsContact O-N 3.15Å; Q130-N133 PolarHBondContact O-N 3.38Å; Q130-A134 PolarHBondContact O-N 3.15Å
131L98.7Very high97.7Very high3 Ų351.1 Ų51.12%0.01627%0.269CS..Hα-helixtrans-57.3-49.6171.2170.464.4000111.1W65 M91 L107 H110 W127 L128 N133 A134 V135W65-L131 HydrophobicContact CH2-CD2 4.14Å; W65-L131 HydrophobicContact CH2-CG 4.05Å; W65-L131 HydrophobicContact CZ3-CD2 4.42Å; M91-L131 HydrophobicContact CE-CD2 4.16Å; L107-L131 HydrophobicContact CD1-CD1 3.82Å; L107-L131 HydrophobicContact CD1-CD2 3.84Å; L107-L131 HydrophobicContact CD1-CG 4.45Å; H110-L131 HydrophobicContact CB-CD1 4.38Å; H110-L131 WeakPolarHBondContact CD2-CD1 3.45Å; W127-L131 HydrophobicContact CH2-CD2 3.76Å; W127-L131 HydrophobicContact CZ2-CD2 4.22Å; W127-L131 HydrophobicContact CZ3-CD2 4.19Å; W127-L131 PolarHBondContact O-N 2.9Å; L128-L131 HydrophobicContact CD1-CD2 4.3Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.27Å; L131-A134 WeakPolarHBondContact O-CB 3.5Å; L131-A134 PolarHBondContact O-N 3.25Å; L131-A134 VanDerWaalsContact O-N 3.15Å; L131-V135 PolarHBondContact O-N 2.66Å; L131-V135 VanDerWaalsContact O-N 3.17Å
132H98.7Very high97.9Very high36 Ų3654.6 Ų54.617%0.16730%0.297CS..Hα-helixtrans-61.9-39.2178.3-167.3179.6000111.4W65 H69 L128 C129 A134 V135 N136W65-H132 AromaticContact CD1-CE1 3.77Å; W65-H132 AromaticContact CD1-NE2 3.49Å; W65-H132 HydrophobicContact CD2-CB 4.47Å; W65-H132 AromaticContact CD2-CD2 3.86Å; W65-H132 AromaticContact CD2-CE1 3.86Å; W65-H132 AromaticContact CD2-CG 3.84Å; W65-H132 AromaticContact CD2-ND1 3.85Å; W65-H132 AromaticContact CD2-NE2 3.9Å; W65-H132 AromaticContact CE2-CD2 3.59Å; W65-H132 AromaticContact CE2-CG 3.97Å; W65-H132 AromaticContact CE2-NE2 3.84Å; W65-H132 HydrophobicContact CE3-CB 4.15Å; W65-H132 AromaticContact CE3-CG 3.96Å; W65-H132 AromaticContact CG-CE1 3.56Å; W65-H132 AromaticContact CG-ND1 3.98Å; W65-H132 AromaticContact CG-NE2 3.71Å; W65-H132 HydrophobicContact CH2-CB 4.12Å; W65-H132 HydrophobicContact CZ2-CB 4.41Å; W65-H132 AromaticContact CZ2-CD2 3.97Å; W65-H132 HydrophobicContact CZ3-CB 3.97Å; W65-H132 AromaticContact NE1-CD2 3.73Å; W65-H132 AromaticContact NE1-NE2 3.57Å; H69-H132 AromaticContact CD2-ND1 3.95Å; H69-H132 AromaticContact NE2-CG 3.98Å; H69-H132 AromaticContact NE2-ND1 3.33Å; H69-H132 PolarHBondContact NE2-ND1 3.41Å; L128-H132 WeakPolarHBondContact O-CB 3.47Å; L128-H132 PolarHBondContact O-N 2.9Å; C129-H132 PolarHBondContact O-N 3.15Å; H132-A134 VanDerWaalsContact C-N 3.35Å; H132-A134 PolarHBondContact O-N 3.46Å; H132-V135 WeakPolarHBondContact O-CB 3.39Å; H132-V135 PolarHBondContact O-N 3.26Å; H132-N136 PolarHBondContact O-N 3.5Å
133N98.7Very high98.1Very high22 Ų2256.2 Ų56.212%0.11831%0.308CS..Hα-helixtrans-65.7-33.7174.8-84.5-15.6000113.4C129 Q130 L131 V135 N136 K137 L143 F144C129-N133 WeakPolarHBondContact O-CB 3.44Å; C129-N133 PolarHBondContact O-N 2.81Å; Q130-N133 PolarHBondContact O-N 3.38Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.27Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 3.45Å; N133-N136 PolarHBondContact O-N 3.28Å; N133-K137 WeakPolarHBondContact O-CB 3.43Å; N133-K137 PolarHBondContact O-N 3.3Å; N133-L143 HydrophobicContact CB-CD2 4.17Å; N133-F144 PolarHBondContact ND2-O 3.16Å; N133-F144 PolarHBondContact OD1-N 3.5Å
134A98.4Very high98.2Very high41 Ų4158.2 Ų58.234%0.33931%0.313SS..Hα-helixtrans-62.5-40.517200000111.3Q130 L131 H132 R138Q130-A134 PolarHBondContact O-N 3.15Å; L131-A134 WeakPolarHBondContact O-CB 3.5Å; L131-A134 PolarHBondContact O-N 3.25Å; L131-A134 VanDerWaalsContact O-N 3.15Å; H132-A134 VanDerWaalsContact C-N 3.35Å; H132-A134 PolarHBondContact O-N 3.46Å; A134-R138 PolarHBondContact O-N 3.09Å; A134-R138 VanDerWaalsContact O-N 3.16Å
135V98.3Very high98.2Very high50 Ų5062.6 Ų62.630%0.30334%0.336SS..Hα-helixtrans-65.5-45.9172.9178.10000111.1W65 L131 H132 N133 K137 R138 L139W65-V135 HydrophobicContact CZ2-CG2 4.17Å; L131-V135 PolarHBondContact O-N 2.66Å; L131-V135 VanDerWaalsContact O-N 3.17Å; H132-V135 WeakPolarHBondContact O-CB 3.39Å; H132-V135 PolarHBondContact O-N 3.26Å; N133-V135 VanDerWaalsContact C-N 3.31Å; N133-V135 PolarHBondContact O-N 3.45Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 3.3Å; V135-R138 PolarHBondContact O-N 3.02Å; V135-L139 HydrophobicContact CG1-CD1 3.83Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 2.86Å
136N98.5Very high98.3Very high18 Ų1863.5 Ų63.510%0.09634%0.341CS..Hα-helixtrans-56.9-47.7176.8-75.1-27.5000111.7H132 N133 R138 L139 G140 K141H132-N136 PolarHBondContact O-N 3.5Å; N133-N136 PolarHBondContact O-N 3.28Å; N136-R138 VanDerWaalsContact C-N 3.33Å; N136-R138 PolarHBondContact O-N 3.16Å; N136-L139 CarbonylContact O-C 3.45Å; N136-L139 PolarHBondContact O-N 2.05Å; N136-L139 VanDerWaalsContact O-N 3.11Å; N136-G140 PolarHBondContact O-N 3.21Å; N136-G140 VanDerWaalsContact O-N 3.07Å; N136-K141 HydrophobicContact CB-CB 3.91Å; N136-K141 PolarHBondContact O-N 3.45Å
137K98.1Very high98.2Very high161 Ų16165.6 Ų65.670%0.736%0.356SS*.Hα-helixtrans-56.6-46.2177.3-173.1176.5180178.40111.8N133 V135 L139 G140 L143N133-K137 WeakPolarHBondContact O-CB 3.43Å; N133-K137 PolarHBondContact O-N 3.3Å; V135-K137 VanDerWaalsContact C-N 3.35Å; V135-K137 PolarHBondContact O-N 3.3Å; K137-L139 VanDerWaalsContact C-N 3.28Å; K137-L139 PolarHBondContact O-N 3.41Å; K137-G140 PolarHBondContact O-N 3.4Å; K137-L143 HydrophobicContact CB-CD2 4.12Å
138R96.8Very high98.2Very high149 Ų14968.8 Ų68.856%0.56237%0.37SS*.Hα-helixtrans-63.8-34.3178.2178.4172.2167.7-137.910.3112.7D106 A134 V135 N136 G140D106-R138 VanDerWaalsContact CG-CZ 3.43Å; D106-R138 VanDerWaalsContact CG-NH2 3.28Å; D106-R138 IonicContact OD1-CZ 3.55Å; D106-R138 IonicContact OD1-NH1 3.53Å; D106-R138 IonicContact OD1-NH2 3.26Å; D106-R138 PolarHBondContact OD1-NH2 3.02Å; D106-R138 IonicContact OD2-CZ 3.04Å; D106-R138 IonicContact OD2-NH1 2.59Å; D106-R138 PolarHBondContact OD2-NH1 2.93Å; D106-R138 IonicContact OD2-NH2 2.71Å; D106-R138 PolarHBondContact OD2-NH2 3.12Å; A134-R138 PolarHBondContact O-N 3.09Å; A134-R138 VanDerWaalsContact O-N 3.16Å; V135-R138 PolarHBondContact O-N 3.02Å; N136-R138 VanDerWaalsContact C-N 3.33Å; N136-R138 PolarHBondContact O-N 3.16Å; R138-G140 VanDerWaalsContact C-N 3.3Å
139L97.1Very high98.1Very high91 Ų9169.2 Ų69.248%0.47637%0.372SS..THydrogen-bonded Turntrans-87.46.4178.5-61.2179.9000113.5V135 N136 K137 K141V135-L139 HydrophobicContact CG1-CD1 3.83Å; V135-L139 HydrophobicContact CG1-CG 4.32Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 2.86Å; N136-L139 CarbonylContact O-C 3.45Å; N136-L139 PolarHBondContact O-N 2.05Å; N136-L139 VanDerWaalsContact O-N 3.11Å; K137-L139 VanDerWaalsContact C-N 3.28Å; K137-L139 PolarHBondContact O-N 3.41Å; L139-K141 HydrophobicContact CB-CD 4.25Å; L139-K141 HydrophobicContact CB-CG 4.13Å; L139-K141 PolarHBondContact O-N 3Å
140G98.1Very high97.9Very high73 Ų7371 Ų7175%0.75338%0.382SS*.THydrogen-bonded Turntrans65.724-177.700000114.1N136 K137 R138N136-G140 PolarHBondContact O-N 3.21Å; N136-G140 VanDerWaalsContact O-N 3.07Å; K137-G140 PolarHBondContact O-N 3.4Å; R138-G140 VanDerWaalsContact C-N 3.3Å
141K98.2Very high97.8Very high110 Ų11067 Ų6748%0.47836%0.363SS..PPolyproline II helixtrans-92152.1177.7-62.3179.7-175.1-65.50110.8N136 L139N136-K141 HydrophobicContact CB-CB 3.91Å; N136-K141 PolarHBondContact O-N 3.45Å; L139-K141 HydrophobicContact CB-CD 4.25Å; L139-K141 HydrophobicContact CB-CG 4.13Å; L139-K141 PolarHBondContact O-N 3Å
142P98.3Very high97.7Very high117 Ų11772.1 Ų72.176%0.7638%0.382SS*.PPolyproline II helixtrans-55.6148.5172.2-23.833.9000112.1
143L98.5Very high97.6Very high114 Ų11472 Ų7260%0.59738%0.38SS*.PPolyproline II helixtrans-77.3141.2172.4-54.7-176.7000109.7N133 K137N133-L143 HydrophobicContact CB-CD2 4.17Å; K137-L143 HydrophobicContact CB-CD2 4.12Å
144F98.6Very high97.3Very high65 Ų6573.6 Ų73.629%0.28539%0.385SS..PPolyproline II helixtrans-85.3139.1172.3-176.3-94.1000110.4N133 C146 K148 L149 R152N133-F144 PolarHBondContact ND2-O 3.16Å; N133-F144 PolarHBondContact OD1-N 3.5Å; F144-C146 PolarHBondContact O-N 3.07Å; F144-K148 HydrophobicContact CE1-CB 4.25Å; F144-K148 HydrophobicContact CZ-CB 3.93Å; F144-L149 HydrophobicContact CE1-CD2 4.08Å; F144-L149 HydrophobicContact CE1-CG 4.44Å; F144-R152 HydrophobicContact CE2-CB 4.35Å; F144-R152 HydrophobicContact CE2-CG 4.23Å; F144-R152 HydrophobicContact CZ-CB 3.77Å; F144-R152 HydrophobicContact CZ-CG 4.03Å
145D98.3Very high97Very high91 Ų9176.1 Ų76.149%0.48739%0.392SS..  trans-74105173.2178.92.6000110.5S147 K148D145-S147 PolarHBondContact O-N 2.87Å; D145-S147 VanDerWaalsContact OD1-CB 3.25Å; D145-S147 WeakPolarHBondContact OD1-CB 3.44Å; D145-S147 PolarHBondContact OD1-N 3.11Å; D145-S147 PolarHBondContact OD1-OG 3.41Å; D145-S147 PolarHBondContact OD2-OG 2.83Å; D145-K148 HydrophobicContact CB-CG 4.12Å; D145-K148 WeakPolarHBondContact O-CB 3.3Å; D145-K148 PolarHBondContact O-N 3.38Å
146C98.3Very high96.8Very high28 Ų2874.2 Ų74.219%0.18938%0.383CS..G310 helixtrans-64.6-11.1-179.1-59.10000114.1C129 F144 K148 L149C129-C146 HydrophobicContact CB-CB 3.82Å; C129-C146 WeakPolarHBondContact CB-SG 3.39Å; C129-C146 WeakPolarHBondContact SG-CA 3.38Å; C129-C146 WeakPolarHBondContact SG-CB 3.43Å; C129-C146 CovalentContact SG-SG 2.04Å; C129-C146 PolarHBondContact SG-SG 3.32Å; F144-C146 PolarHBondContact O-N 3.07Å; C146-K148 PolarHBondContact O-N 3.2Å; C146-L149 HydrophobicContact CB-CD1 4.34Å; C146-L149 WeakPolarHBondContact O-CD1 3.43Å; C146-L149 VanDerWaalsContact O-CG 3.3Å; C146-L149 WeakPolarHBondContact O-CG 3.44Å
147S97.1Very high96.6Very high78 Ų7877.6 Ų77.655%0.54539%0.394SS..G310 helixtrans-68.1-19.6169.681.40000112.6D145D145-S147 PolarHBondContact O-N 2.87Å; D145-S147 VanDerWaalsContact OD1-CB 3.25Å; D145-S147 WeakPolarHBondContact OD1-CB 3.44Å; D145-S147 PolarHBondContact OD1-N 3.11Å; D145-S147 PolarHBondContact OD1-OG 3.41Å; D145-S147 PolarHBondContact OD2-OG 2.83Å
148K97.4Very high96.3Very high79 Ų7975.4 Ų75.434%0.34340%0.397SS..G310 helixtrans-97.416.6-175.9-57.5-58.1-178.11800114.9F144 D145 C146 N150 E151 R152 W157F144-K148 HydrophobicContact CE1-CB 4.25Å; F144-K148 HydrophobicContact CZ-CB 3.93Å; D145-K148 HydrophobicContact CB-CG 4.12Å; D145-K148 WeakPolarHBondContact O-CB 3.3Å; D145-K148 PolarHBondContact O-N 3.38Å; C146-K148 PolarHBondContact O-N 3.2Å; K148-N150 PolarHBondContact O-N 3.5Å; K148-E151 WeakPolarHBondContact CA-OE2 3.35Å; K148-E151 WeakPolarHBondContact CD-OE1 3.07Å; K148-E151 IonicContact NZ-OE1 2.65Å; K148-E151 PolarHBondContact NZ-OE1 3.24Å; K148-R152 WeakPolarHBondContact O-CB 3.38Å; K148-R152 PolarHBondContact O-N 2.89Å; K148-W157 HydrophobicContact CB-CH2 4.28Å; K148-W157 HydrophobicContact CB-CZ3 4.07Å; K148-W157 HydrophobicContact CD-CZ3 4.43Å; K148-W157 HydrophobicContact CG-CZ3 4.41Å
149L96.6Very high96.2Very high8 Ų874.2 Ų74.24%0.04240%0.402CS..Hα-helixtrans-64.1-40.8-176.3-75.9168.9000112.9A125 C129 F144 C146 R152 W153A125-L149 HydrophobicContact CB-CD1 4.24Å; A125-L149 WeakPolarHBondContact O-CD1 3.37Å; C129-L149 HydrophobicContact CB-CD1 3.75Å; C129-L149 HydrophobicContact CB-CD2 3.77Å; C129-L149 HydrophobicContact CB-CG 4.17Å; F144-L149 HydrophobicContact CE1-CD2 4.08Å; F144-L149 HydrophobicContact CE1-CG 4.44Å; C146-L149 HydrophobicContact CB-CD1 4.34Å; C146-L149 WeakPolarHBondContact O-CD1 3.43Å; C146-L149 VanDerWaalsContact O-CG 3.3Å; C146-L149 WeakPolarHBondContact O-CG 3.44Å; L149-R152 PolarHBondContact O-N 2.89Å; L149-W153 WeakPolarHBondContact O-CB 3.22Å; L149-W153 PolarHBondContact O-N 3.14Å
150N94.7Very high95.8Very high40 Ų4071.3 Ų71.321%0.21439%0.393CS..Hα-helixtrans-68.6-45.7-178.2-75.4-30.3000110.6K148 R152 W153 R154 D155K148-N150 PolarHBondContact O-N 3.5Å; N150-R152 VanDerWaalsContact C-N 3.29Å; N150-R152 PolarHBondContact O-N 3.01Å; N150-W153 PolarHBondContact O-N 3.44Å; N150-R154 VanDerWaalsContact CG-NH2 3.35Å; N150-R154 CarbonylContact O-C 3.34Å; N150-R154 WeakPolarHBondContact O-CA 2.89Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 2.94Å; N150-R154 PolarHBondContact OD1-NH1 2.88Å; N150-R154 PolarHBondContact OD1-NH2 3.36Å; N150-D155 WeakPolarHBondContact CB-OD2 3.4Å; N150-D155 PolarHBondContact O-N 3.35Å
151E95.7Very high95.5Very high33 Ų3371.6 Ų71.615%0.15438%0.384CS..Iπ-helixtrans-56.3-46.2174.8-62.993.8132.600110.9K148 G156 W157 P158K148-E151 WeakPolarHBondContact CA-OE2 3.35Å; K148-E151 WeakPolarHBondContact CD-OE1 3.07Å; K148-E151 IonicContact NZ-OE1 2.65Å; K148-E151 PolarHBondContact NZ-OE1 3.24Å; E151-G156 WeakPolarHBondContact CA-O 3.09Å; E151-G156 CarbonylContact O-C 3.57Å; E151-G156 WeakPolarHBondContact O-CA 3.38Å; E151-G156 PolarHBondContact O-N 3.49Å; E151-W157 HydrophobicContact CB-CD2 4.18Å; E151-W157 HydrophobicContact CB-CE3 3.5Å; E151-W157 VanDerWaalsContact CB-CE3 3.5Å; E151-W157 HydrophobicContact CB-CH2 4.48Å; E151-W157 HydrophobicContact CB-CZ3 3.67Å; E151-W157 HydrophobicContact CG-CE3 4.17Å; E151-W157 HydrophobicContact CG-CZ3 4.43Å; E151-P158 HydrophobicContact CG-CG 4.28Å
152R97.1Very high94.9Very high111 Ų11167.9 Ų67.942%0.41937%0.371SS..Iπ-helixtrans-72.6-37.6-176.4178.558.4-173.383.5-1.3114.1F144 K148 L149 N150 W157F144-R152 HydrophobicContact CE2-CB 4.35Å; F144-R152 HydrophobicContact CE2-CG 4.23Å; F144-R152 HydrophobicContact CZ-CB 3.77Å; F144-R152 HydrophobicContact CZ-CG 4.03Å; K148-R152 WeakPolarHBondContact O-CB 3.38Å; K148-R152 PolarHBondContact O-N 2.89Å; L149-R152 PolarHBondContact O-N 2.89Å; N150-R152 VanDerWaalsContact C-N 3.29Å; N150-R152 PolarHBondContact O-N 3.01Å; R152-W157 HydrophobicContact CB-CH2 4.3Å; R152-W157 HydrophobicContact CB-CZ2 4.27Å
153W96.1Very high94Very high34 Ų3468.5 Ų68.513%0.12937%0.368CS..Iπ-helixtrans-116.8-7.3-166.1-59.6116.7000115.1A66 H69 A73 L149 N150A66-W153 HydrophobicContact CB-CZ3 4.33Å; H69-W153 HydrophobicContact CB-CB 4.42Å; H69-W153 HydrophobicContact CB-CD2 3.32Å; H69-W153 HydrophobicContact CB-CE3 3.8Å; H69-W153 HydrophobicContact CB-CG 3.61Å; H69-W153 HydrophobicContact CB-CH2 4.23Å; H69-W153 HydrophobicContact CB-CZ2 3.8Å; H69-W153 HydrophobicContact CB-CZ3 4.23Å; H69-W153 AromaticContact CD2-CE2 3.91Å; H69-W153 AromaticContact CD2-CZ2 3.73Å; H69-W153 AromaticContact CG-CD1 3.97Å; H69-W153 AromaticContact CG-CE2 3.49Å; H69-W153 VanDerWaalsContact CG-CE2 3.49Å; H69-W153 AromaticContact CG-CZ2 3.79Å; H69-W153 AromaticContact CG-NE1 3.43Å; H69-W153 AromaticContact ND1-CD1 3.95Å; H69-W153 AromaticContact ND1-NE1 3.56Å; A73-W153 HydrophobicContact CB-CB 4.02Å; L149-W153 WeakPolarHBondContact O-CB 3.22Å; L149-W153 PolarHBondContact O-N 3.14Å; N150-W153 PolarHBondContact O-N 3.44Å
154R93.4Very high93.8Very high54 Ų5466.2 Ų66.220%0.20436%0.357CS..Iπ-helixtrans-137.2-60.1-176.4-162-17966.1-157.6-7.1114.1A73 Y74 N150A73-R154 HydrophobicContact CB-CB 4.11Å; A73-R154 WeakPolarHBondContact O-CD 3.35Å; Y74-R154 HydrophobicContact CD2-CG 4.48Å; Y74-R154 HydrophobicContact CE2-CG 3.92Å; N150-R154 VanDerWaalsContact CG-NH2 3.35Å; N150-R154 CarbonylContact O-C 3.34Å; N150-R154 WeakPolarHBondContact O-CA 2.89Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 2.94Å; N150-R154 PolarHBondContact OD1-NH1 2.88Å; N150-R154 PolarHBondContact OD1-NH2 3.36Å
155D92.4Very high93.5Very high94 Ų9466.3 Ų66.350%0.50336%0.361SS..Iπ-helixtrans-93.4-27.7-161.2-63.4-24000112.4N150N150-D155 WeakPolarHBondContact CB-OD2 3.4Å; N150-D155 PolarHBondContact O-N 3.35Å
156G92.9Very high93.3Very high10 Ų1064.9 Ų64.910%0.10335%0.354CS..  trans88.2165.5-168.300000112.3E151E151-G156 WeakPolarHBondContact CA-O 3.09Å; E151-G156 CarbonylContact O-C 3.57Å; E151-G156 WeakPolarHBondContact O-CA 3.38Å; E151-G156 PolarHBondContact O-N 3.49Å
157W95Very high93Very high89 Ų8967.1 Ų67.134%0.33736%0.363SS..  trans-74.4139.7-179.6-59.9114.5000111.5K148 E151 R152 D159 G160 S161K148-W157 HydrophobicContact CB-CH2 4.28Å; K148-W157 HydrophobicContact CB-CZ3 4.07Å; K148-W157 HydrophobicContact CD-CZ3 4.43Å; K148-W157 HydrophobicContact CG-CZ3 4.41Å; E151-W157 HydrophobicContact CB-CD2 4.18Å; E151-W157 HydrophobicContact CB-CE3 3.5Å; E151-W157 VanDerWaalsContact CB-CE3 3.5Å; E151-W157 HydrophobicContact CB-CH2 4.48Å; E151-W157 HydrophobicContact CB-CZ3 3.67Å; E151-W157 HydrophobicContact CG-CE3 4.17Å; E151-W157 HydrophobicContact CG-CZ3 4.43Å; R152-W157 HydrophobicContact CB-CH2 4.3Å; R152-W157 HydrophobicContact CB-CZ2 4.27Å; W157-D159 WeakPolarHBondContact CB-OD1 3.43Å; W157-D159 PolarHBondContact O-N 3.23Å; W157-D159 VanDerWaalsContact O-N 3.09Å; W157-G160 PolarHBondContact O-N 2.79Å; W157-G160 VanDerWaalsContact O-N 3.1Å; W157-S161 WeakPolarHBondContact CB-OG 3.48Å; W157-S161 VanDerWaalsContact CD1-OG 3.32Å
158P91.7Very high92.7Very high116 Ų11666.4 Ų66.475%0.75335%0.352SS*.THydrogen-bonded Turntrans-62.2-16.7-178.9-25.234.1000115.2E151 G160E151-P158 HydrophobicContact CG-CG 4.28Å; P158-G160 PolarHBondContact O-N 3.34Å
159D93.9Very high92.4Very high124 Ų12465.5 Ų65.566%0.66335%0.352SS*.THydrogen-bonded Turntrans-78.9-3.1177.565.31.3000113.4W157 S161W157-D159 WeakPolarHBondContact CB-OD1 3.43Å; W157-D159 PolarHBondContact O-N 3.23Å; W157-D159 VanDerWaalsContact O-N 3.09Å; D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.12Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.71Å; D159-S161 PolarHBondContact OD1-OG 2.59Å
160G90.5Very high92.1Very high29 Ų2969.6 Ų69.630%0.29938%0.375SS..SBendtrans79.16.7-179.400000114.2W157 P158 C162 D163W157-G160 PolarHBondContact O-N 2.79Å; W157-G160 VanDerWaalsContact O-N 3.1Å; P158-G160 PolarHBondContact O-N 3.34Å; G160-C162 PolarHBondContact O-N 3.26Å; G160-D163 PolarHBondContact O-N 2.61Å
161S91.7Very high91.9Very high79 Ų7971.9 Ų71.955%0.55239%0.387SS*.THydrogen-bonded Turntrans-64.1-8.7179.758.20000114.7W157 D159W157-S161 WeakPolarHBondContact CB-OG 3.48Å; W157-S161 VanDerWaalsContact CD1-OG 3.32Å; D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.12Å; D159-S161 WeakPolarHBondContact OD1-CB 3.39Å; D159-S161 PolarHBondContact OD1-N 2.71Å; D159-S161 PolarHBondContact OD1-OG 2.59Å
162C85.7Confident91.6Very high33 Ų3375.2 Ų75.222%0.22341%0.406CS..THydrogen-bonded Turntrans-101.7-4.4176.4-74.20000114.3R9 G160R9-C162 PolarHBondContact NH2-O 3.29Å; G160-C162 PolarHBondContact O-N 3.26Å
163D78.9Confident91.1Very high129 Ų12971.9 Ų71.969%0.6941%0.405SS*.  trans-96.90-177.3-71.3-22.5000112.3G160G160-D163 PolarHBondContact O-N 2.61Å

Retrieved 163 of 163 residues in 190.2 ms (Link to these results)

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