A0A060X8E8_ONCMY Loading...

Transmembrane protein 126A

AlphaFold DB , UniProt , Accession A0A060X8E8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tmem126a, Length 206 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
1M31.8Very low33.2Very low240 Ų240146.3 Ų146.3100%1.18278%0.781SS**  084.90-150.7150.9147.900104.9
2S29.8Very low33.3Very low100 Ų100139.3 Ų139.370%0.69977%0.769SS**  64.8130.992.2171.30000109
3E35.6Very low33.9Very low145 Ų145139.3 Ų139.368%0.67878%0.776SS**  cis171.9143.55.2173.9174.9151.900103.1
4N32.5Very low33.9Very low156 Ų156136.4 Ų136.483%0.83477%0.77SS**  trans-164.677.8150-115.4-0.9000110.7
5S36.7Very low34.4Very low59 Ų59141.7 Ų141.741%0.41377%0.773SS.*  22.9104.4112.5-53.20000116.9
6N28.3Very low35.2Very low167 Ų167140.9 Ų140.989%0.89377%0.774SS**  trans-11180.1140.4-79.3-34.7000107.1V8N6-V8 PolarHBondContact O-N 3.26Å
7V32.3Very low36.7Very low109 Ų109136.8 Ų136.866%0.66175%0.754SS**  trans-80.1109.51701770000107V9V7-V9 HydrophobicContact CG1-CG2 3.63Å; V7-V9 PolarHBondContact O-N 3.4Å
8V35.6Very low38.6Very low127 Ų127133.2 Ų133.277%0.7774%0.74SS**  trans-83.7101.3161.8177.90000106.6N6 Q10N6-V8 PolarHBondContact O-N 3.26Å; V8-Q10 PolarHBondContact O-N 3.46Å
9V31.9Very low40Very low122 Ų122137.2 Ų137.274%0.73974%0.742SS**  trans-75.7102.9169.5179.60000107.8V7V7-V9 HydrophobicContact CG1-CG2 3.63Å; V7-V9 PolarHBondContact O-N 3.4Å
10Q35.6Very low41.5Very low167 Ų167133.1 Ų133.178%0.7873%0.728SS**  trans-105.3115.8160.7-96.7-171.5-12.500109.6V8 G12V8-Q10 PolarHBondContact O-N 3.46Å; Q10-G12 PolarHBondContact O-N 3.49Å
11K34.6Very low42.9Very low217 Ų217130.7 Ų130.794%0.94371%0.714SS**  trans-82.3106.1176.3-169.8179.3-176.4-1790108
12G34.7Very low44.7Very low62 Ų62122.1 Ų122.164%0.63967%0.673SS**SBendtrans143.4100.9177.100000111.5Q10 S14Q10-G12 PolarHBondContact O-N 3.49Å; G12-S14 PolarHBondContact O-N 3.31Å
13T40.8Very low46.5Very low140 Ų140121.8 Ų121.886%0.85966%0.662SS**  trans40.163.5168-45.40000116.1R15T13-R15 PolarHBondContact O-N 3.16Å
14S34.9Very low48.2Very low99 Ų99121.1 Ų121.169%0.69266%0.659SS**  trans-84.992.7168-161.60000109.4G12 T16G12-S14 PolarHBondContact O-N 3.31Å; S14-T16 PolarHBondContact O-N 3.25Å; S14-T16 VanDerWaalsContact O-N 3.16Å
15R41.6Very low49.9Very low216 Ų216117.2 Ų117.282%0.81564%0.636SS**  trans-68104.8154.3-79.1-178-173.3160.52.9105.5T13 V17T13-R15 PolarHBondContact O-N 3.16Å; R15-V17 PolarHBondContact O-N 2.79Å
16T46.7Very low51.5Low129 Ų129115.1 Ų115.179%0.79162%0.621SS**  trans-6290162.441.60000107.5S14 S18S14-T16 PolarHBondContact O-N 3.25Å; S14-T16 VanDerWaalsContact O-N 3.16Å; T16-S18 PolarHBondContact O-N 3.05Å
17V60.3Low53.6Low70 Ų70110 Ų11042%0.42460%0.601SS.*  trans-59.7112.7175.4-177.20000106.5R15 R19 L21 I22 M25R15-V17 PolarHBondContact O-N 2.79Å; V17-R19 PolarHBondContact O-N 3.14Å; V17-L21 HydrophobicContact CG1-CB 4.17Å; V17-L21 HydrophobicContact CG1-CD2 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; V17-I22 HydrophobicContact CB-CG1 4.35Å; V17-I22 HydrophobicContact CG1-CD1 4.18Å; V17-I22 HydrophobicContact CG1-CG1 3.52Å; V17-M25 HydrophobicContact CG1-CE 3.85Å
18S71.8Confident55.7Low72 Ų72110.8 Ų110.850%0.50360%0.598SS.*  trans-57.3138.1179.4176.70000109.3T16 A20 L21 I22T16-S18 PolarHBondContact O-N 3.05Å; S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 VanDerWaalsContact O-N 3.07Å; S18-A20 PolarHBondContact OG-N 3.24Å; S18-L21 WeakPolarHBondContact O-CA 3.27Å; S18-L21 VanDerWaalsContact O-CB 3.3Å; S18-L21 WeakPolarHBondContact O-CB 3.5Å; S18-L21 PolarHBondContact O-N 3.47Å; S18-I22 PolarHBondContact O-N 2.8Å; S18-I22 VanDerWaalsContact O-N 3.12Å
19R65.4Low57.3Low209 Ų209105.1 Ų105.179%0.78956%0.563SS**Hα-helixtrans-52.1-33.7175.4-73-175.4174.5-176.3-4112V17 L21 I22 I23V17-R19 PolarHBondContact O-N 3.14Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.27Å; R19-I22 PolarHBondContact O-N 3.07Å; R19-I23 WeakPolarHBondContact O-CD1 3.3Å; R19-I23 VanDerWaalsContact O-CG1 3.27Å; R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 3.37Å
20A68.6Low59.4Low56 Ų56100.9 Ų100.946%0.46354%0.535SS..Hα-helixtrans-63.5-37.517500000112.4S18 I23 Q24S18-A20 PolarHBondContact O-N 3.43Å; S18-A20 VanDerWaalsContact O-N 3.07Å; S18-A20 PolarHBondContact OG-N 3.24Å; A20-I23 PolarHBondContact O-N 3.03Å; A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 WeakPolarHBondContact O-CG 3.38Å; A20-Q24 PolarHBondContact O-N 3.12Å
21L70.9Confident61.2Low83 Ų8398.8 Ų98.844%0.43553%0.525SS..Hα-helixtrans-70.8-39177.1-167.367000111.3V17 S18 R19 I23 Q24 M25V17-L21 HydrophobicContact CG1-CB 4.17Å; V17-L21 HydrophobicContact CG1-CD2 4.01Å; V17-L21 HydrophobicContact CG1-CG 4.36Å; S18-L21 WeakPolarHBondContact O-CA 3.27Å; S18-L21 VanDerWaalsContact O-CB 3.3Å; S18-L21 WeakPolarHBondContact O-CB 3.5Å; S18-L21 PolarHBondContact O-N 3.47Å; R19-L21 VanDerWaalsContact C-N 3.32Å; R19-L21 PolarHBondContact O-N 3.27Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-Q24 PolarHBondContact O-N 3.01Å; L21-M25 HydrophobicContact CG-CE 4.2Å; L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.49Å; L21-M25 PolarHBondContact O-N 3.49Å
22I69.3Low63.1Low60 Ų6095.3 Ų95.331%0.30851%0.506SS..Hα-helixtrans-61.1-45.6173.6-60.7177.9000110.5V17 S18 R19 Q24 M25 M26V17-I22 HydrophobicContact CB-CG1 4.35Å; V17-I22 HydrophobicContact CG1-CD1 4.18Å; V17-I22 HydrophobicContact CG1-CG1 3.52Å; S18-I22 PolarHBondContact O-N 2.8Å; S18-I22 VanDerWaalsContact O-N 3.12Å; R19-I22 PolarHBondContact O-N 3.07Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.43Å; I22-M25 HydrophobicContact CG1-CE 4.37Å; I22-M25 PolarHBondContact O-N 3.12Å; I22-M26 HydrophobicContact CG2-CE 3.58Å; I22-M26 HydrophobicContact CG2-CG 4.49Å; I22-M26 WeakPolarHBondContact O-CB 3.29Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.28Å
23I68.3Low65Low92 Ų9292.7 Ų92.747%0.47248%0.477SS..Hα-helixtrans-63.4-41177.8-67.8165.2000111R19 A20 L21 A27R19-I23 WeakPolarHBondContact O-CD1 3.3Å; R19-I23 VanDerWaalsContact O-CG1 3.27Å; R19-I23 WeakPolarHBondContact O-CG1 3.39Å; R19-I23 PolarHBondContact O-N 3.37Å; A20-I23 PolarHBondContact O-N 3.03Å; L21-I23 VanDerWaalsContact C-N 3.35Å; I23-A27 VanDerWaalsContact O-CB 3.31Å; I23-A27 WeakPolarHBondContact O-CB 3.43Å; I23-A27 PolarHBondContact O-N 2.95Å
24Q71.2Confident66.8Low132 Ų13289.4 Ų89.462%0.61746%0.458SS*.Hα-helixtrans-65.1-46176.1-78.5-175.92.200112.2A20 L21 I22 M26 A27 E28A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 WeakPolarHBondContact O-CG 3.38Å; A20-Q24 PolarHBondContact O-N 3.12Å; L21-Q24 PolarHBondContact O-N 3.01Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.43Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; Q24-M26 PolarHBondContact O-N 2.98Å; Q24-A27 PolarHBondContact O-N 2.86Å; Q24-E28 PolarHBondContact O-N 3.3Å
25M69.5Low69Low73 Ų7389.9 Ų89.936%0.3645%0.449SS..Hα-helixtrans-61.8-42.1176.6-71.5-174.6-63.400111.6V17 L21 I22 A27 E28 N29V17-M25 HydrophobicContact CG1-CE 3.85Å; L21-M25 HydrophobicContact CG-CE 4.2Å; L21-M25 WeakPolarHBondContact O-CB 3.33Å; L21-M25 VanDerWaalsContact O-CG 3.29Å; L21-M25 WeakPolarHBondContact O-CG 3.49Å; L21-M25 PolarHBondContact O-N 3.49Å; I22-M25 HydrophobicContact CG1-CE 4.37Å; I22-M25 PolarHBondContact O-N 3.12Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 3.1Å; M25-E28 PolarHBondContact O-N 2.99Å; M25-N29 WeakPolarHBondContact O-CB 3.4Å; M25-N29 PolarHBondContact O-N 2.81Å; M25-N29 PolarHBondContact O-ND2 3.31Å; M25-N29 VanDerWaalsContact O-ND2 3.07Å
26M69.9Low70.7Confident16 Ų1685.2 Ų85.28%0.07944%0.44CS..Hα-helixtrans-64.5-38.8174.6-73-152.4-143.600112.3I22 Q24 F30 L101 Y190I22-M26 HydrophobicContact CG2-CE 3.58Å; I22-M26 HydrophobicContact CG2-CG 4.49Å; I22-M26 WeakPolarHBondContact O-CB 3.29Å; I22-M26 WeakPolarHBondContact O-CG 3.42Å; I22-M26 PolarHBondContact O-N 3.28Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; Q24-M26 PolarHBondContact O-N 2.98Å; M26-F30 VanDerWaalsContact O-CB 3.3Å; M26-F30 WeakPolarHBondContact O-CB 3.46Å; M26-F30 PolarHBondContact O-N 3.17Å; M26-L101 WeakPolarHBondContact CE-O 3.46Å; M26-Y190 HydrophobicContact CE-CE2 3.85Å; M26-Y190 HydrophobicContact SD-CD2 4.36Å; M26-Y190 HydrophobicContact SD-CE2 3.7Å
27A72.9Confident72.2Confident59 Ų5979.6 Ų79.649%0.48841%0.405SS..Hα-helixtrans-67-38.4177.200000112.3I23 Q24 M25 F30I23-A27 VanDerWaalsContact O-CB 3.31Å; I23-A27 WeakPolarHBondContact O-CB 3.43Å; I23-A27 PolarHBondContact O-N 2.95Å; Q24-A27 PolarHBondContact O-N 2.86Å; M25-A27 VanDerWaalsContact C-N 3.35Å; M25-A27 PolarHBondContact O-N 3.1Å; A27-F30 WeakPolarHBondContact O-CB 3.35Å; A27-F30 PolarHBondContact O-N 3.2Å
28E74.5Confident73.2Confident125 Ų12579.8 Ų79.858%0.58440%0.398SS*.Hα-helixtrans-68.5-42.8175.8-170.5177.4173.800111.6Q24 M25 F30 E31Q24-E28 PolarHBondContact O-N 3.3Å; M25-E28 PolarHBondContact O-N 2.99Å; E28-F30 VanDerWaalsContact C-N 3.26Å; E28-F30 PolarHBondContact O-N 3.18Å; E28-E31 PolarHBondContact O-N 3.42Å
29N70.9Confident73.8Confident8 Ų881.1 Ų81.14%0.04340%0.395CS..Hα-helixtrans-72.7-19.4176.7-68.4-39.2000113M25 E31 R32 L33 L193 S197 N200M25-N29 WeakPolarHBondContact O-CB 3.4Å; M25-N29 PolarHBondContact O-N 2.81Å; M25-N29 PolarHBondContact O-ND2 3.31Å; M25-N29 VanDerWaalsContact O-ND2 3.07Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 PolarHBondContact O-N 3.08Å; N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 3.37Å; N29-L33 PolarHBondContact O-N 3.09Å; N29-L193 HydrophobicContact CB-CD2 4.25Å; N29-S197 VanDerWaalsContact ND2-CA 3.32Å; N29-S197 WeakPolarHBondContact ND2-CA 3.41Å; N29-S197 WeakPolarHBondContact ND2-CB 3.45Å; N29-S197 PolarHBondContact ND2-OG 3.5Å; N29-N200 PolarHBondContact OD1-ND2 3.41Å
30F75.8Confident74.8Confident34 Ų3473.2 Ų73.215%0.14937%0.368CS..Hα-helixtrans-61.6-33.5172.7-172.8-100.7000113M26 A27 E28 R32 L33 R38 F41 L193M26-F30 VanDerWaalsContact O-CB 3.3Å; M26-F30 WeakPolarHBondContact O-CB 3.46Å; M26-F30 PolarHBondContact O-N 3.17Å; A27-F30 WeakPolarHBondContact O-CB 3.35Å; A27-F30 PolarHBondContact O-N 3.2Å; E28-F30 VanDerWaalsContact C-N 3.26Å; E28-F30 PolarHBondContact O-N 3.18Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 2.92Å; F30-L33 HydrophobicContact CD2-CD1 3.8Å; F30-L33 HydrophobicContact CE2-CD1 4.14Å; F30-L33 PolarHBondContact O-N 3.46Å; F30-R38 HydrophobicContact CD1-CG 4.3Å; F30-R38 HydrophobicContact CE1-CG 3.59Å; F30-R38 HydrophobicContact CZ-CB 4.45Å; F30-R38 HydrophobicContact CZ-CG 3.79Å; F30-F41 HydrophobicContact CE2-CB 3.8Å; F30-F41 AromaticContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CE1 4.41Å; F30-F41 AromaticContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CZ-CB 3.97Å; F30-F41 AromaticContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CG 4.13Å; F30-L193 HydrophobicContact CB-CD2 4.21Å; F30-L193 HydrophobicContact CD2-CD1 4.17Å; F30-L193 HydrophobicContact CD2-CD2 4.46Å
31E73.6Confident75.5Confident122 Ų12271.3 Ų71.357%0.5735%0.349SS*.THydrogen-bonded Turntrans-72.6-20.7174.6-69.2-59.6154.600113.1E28 N29 R38E28-E31 PolarHBondContact O-N 3.42Å; N29-E31 VanDerWaalsContact C-N 3.26Å; N29-E31 PolarHBondContact O-N 3.08Å; E31-R38 IonicContact OE2-CZ 3.79Å; E31-R38 IonicContact OE2-NH1 2.72Å; E31-R38 PolarHBondContact OE2-NH1 3.39Å
32R73.6Confident76.2Confident144 Ų14470.5 Ų70.554%0.54335%0.348SS..THydrogen-bonded Turntrans-87.3-7.8176.9-65.6-175.8177.6162.30.6113.7N29 F30 N200N29-R32 WeakPolarHBondContact O-CB 3.39Å; N29-R32 PolarHBondContact O-N 3.37Å; F30-R32 VanDerWaalsContact C-N 3.26Å; F30-R32 PolarHBondContact O-N 2.92Å; R32-N200 PolarHBondContact NH1-ND2 3.23Å
33L75.2Confident77.2Confident8 Ų873.2 Ų73.24%0.04236%0.355CS..SBendtrans-63.6153.3175.2-81.9174.8000111.7N29 F30 E35 D37 K192 L193 L196N29-L33 PolarHBondContact O-N 3.09Å; F30-L33 HydrophobicContact CD2-CD1 3.8Å; F30-L33 HydrophobicContact CE2-CD1 4.14Å; F30-L33 PolarHBondContact O-N 3.46Å; L33-E35 PolarHBondContact O-N 3.41Å; L33-D37 HydrophobicContact CB-CB 4.47Å; L33-D37 HydrophobicContact CD1-CB 4.45Å; L33-K192 HydrophobicContact CD2-CB 3.9Å; L33-L193 HydrophobicContact CD1-CD1 3.95Å; L33-L193 HydrophobicContact CD1-CD2 3.54Å; L33-L193 HydrophobicContact CD1-CG 3.68Å; L33-L193 HydrophobicContact CD2-CD2 4.08Å; L33-L193 HydrophobicContact CD2-CG 4.09Å; L33-L193 HydrophobicContact CG-CD2 3.56Å; L33-L193 HydrophobicContact CG-CG 3.99Å; L33-L196 HydrophobicContact CD2-CD1 4.36Å
34P79.1Confident78.2Confident70 Ų7069 Ų6946%0.45533%0.334SS..  trans-51.5138.3166.8-22.532.5000110.7L36 D37 R38P34-L36 PolarHBondContact O-N 2.98Å; P34-D37 PolarHBondContact O-N 3.26Å; P34-R38 PolarHBondContact O-N 3.05Å; P34-R38 VanDerWaalsContact O-N 3.14Å
35E80.1Confident79.3Confident109 Ų10962.9 Ų62.951%0.50931%0.306SS..Hα-helixtrans-53.4-34.6-175.7-166.8-163.9-179.300112.6L33 K39L33-E35 PolarHBondContact O-N 3.41Å; E35-K39 HydrophobicContact CG-CD 4.28Å; E35-K39 WeakPolarHBondContact O-CB 3.32Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact OE1-CE 2.9Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 3.32Å; E35-K39 IonicContact OE2-NZ 3.55Å
36L76.4Confident80.6Confident118 Ų11863.4 Ų63.462%0.61831%0.308SS*.Hα-helixtrans-65.3-42.7178.1-172132.2000112.6P34 K39 I40P34-L36 PolarHBondContact O-N 2.98Å; L36-K39 PolarHBondContact O-N 3.48Å; L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.14Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 2.89Å
37D78.8Confident81.7Confident12 Ų1270.9 Ų70.96%0.06434%0.337CS..Hα-helixtrans-67.6-43178.1-71.8-27.9000110.4L33 P34 K39 I40 F41 K192L33-D37 HydrophobicContact CB-CB 4.47Å; L33-D37 HydrophobicContact CD1-CB 4.45Å; P34-D37 PolarHBondContact O-N 3.26Å; D37-K39 PolarHBondContact O-N 3.4Å; D37-I40 PolarHBondContact O-N 3.08Å; D37-F41 WeakPolarHBondContact O-CB 3.35Å; D37-F41 PolarHBondContact O-N 3.46Å; D37-K192 IonicContact OD1-NZ 3.62Å; D37-K192 WeakPolarHBondContact OD2-CD 3.14Å; D37-K192 IonicContact OD2-NZ 2.7Å; D37-K192 PolarHBondContact OD2-NZ 3.36Å
38R81.1Confident82.8Confident74 Ų7468.2 Ų68.228%0.27932%0.315SS..Hα-helixtrans-59.1-45.2174.4-173.7171.565.5-159.1-10111.7F30 E31 P34 F41 T42F30-R38 HydrophobicContact CD1-CG 4.3Å; F30-R38 HydrophobicContact CE1-CG 3.59Å; F30-R38 HydrophobicContact CZ-CB 4.45Å; F30-R38 HydrophobicContact CZ-CG 3.79Å; E31-R38 IonicContact OE2-CZ 3.79Å; E31-R38 IonicContact OE2-NH1 2.72Å; E31-R38 PolarHBondContact OE2-NH1 3.39Å; P34-R38 PolarHBondContact O-N 3.05Å; P34-R38 VanDerWaalsContact O-N 3.14Å; R38-F41 PolarHBondContact O-N 2.97Å; R38-T42 WeakPolarHBondContact O-CB 3.44Å; R38-T42 PolarHBondContact O-N 3.5Å; R38-T42 PolarHBondContact O-OG1 2.98Å; R38-T42 VanDerWaalsContact O-OG1 3.09Å
39K85.8Confident83.8Confident100 Ų10062.3 Ų62.344%0.43529%0.287SS..Hα-helixtrans-63.2-44.8177.3-78.5174.7-179.8169.30111.9E35 L36 D37 F41 T42 Y43E35-K39 HydrophobicContact CG-CD 4.28Å; E35-K39 WeakPolarHBondContact O-CB 3.32Å; E35-K39 VanDerWaalsContact O-CG 3.28Å; E35-K39 WeakPolarHBondContact O-CG 3.45Å; E35-K39 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact OE1-CE 2.9Å; E35-K39 IonicContact OE1-NZ 2.63Å; E35-K39 PolarHBondContact OE1-NZ 3.32Å; E35-K39 IonicContact OE2-NZ 3.55Å; L36-K39 PolarHBondContact O-N 3.48Å; D37-K39 PolarHBondContact O-N 3.4Å; K39-F41 VanDerWaalsContact C-N 3.31Å; K39-F41 PolarHBondContact O-N 3.42Å; K39-T42 PolarHBondContact O-N 3.07Å; K39-Y43 HydrophobicContact CB-CD2 4.4Å; K39-Y43 WeakPolarHBondContact O-CB 3.31Å; K39-Y43 WeakPolarHBondContact O-CD2 3.09Å; K39-Y43 PolarHBondContact O-N 3.09Å
40I84.8Confident85Confident42 Ų4262.9 Ų62.922%0.21530%0.295CS..Hα-helixtrans-65-38.6178.5-69.3169000110.9L36 D37 G44 L182 R185 H186L36-I40 HydrophobicContact CD2-CD1 3.58Å; L36-I40 HydrophobicContact CG-CD1 4.14Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 2.89Å; D37-I40 PolarHBondContact O-N 3.08Å; I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 2.84Å; I40-L182 HydrophobicContact CG2-CD1 4.08Å; I40-R185 HydrophobicContact CG2-CB 3.95Å; I40-H186 PolarHBondContact O-NE2 3.35Å
41F83.8Confident86Confident17 Ų1763.3 Ų63.38%0.07530%0.299CS..Hα-helixtrans-64.9-47.2177.7-160.4-84.8000111.9F30 D37 R38 K39 P45 L100 L101 H186F30-F41 HydrophobicContact CE2-CB 3.8Å; F30-F41 AromaticContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CD1 3.62Å; F30-F41 HydrophobicContact CE2-CE1 4.41Å; F30-F41 AromaticContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CE2-CG 3.7Å; F30-F41 HydrophobicContact CZ-CB 3.97Å; F30-F41 AromaticContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CD1 3.82Å; F30-F41 HydrophobicContact CZ-CG 4.13Å; D37-F41 WeakPolarHBondContact O-CB 3.35Å; D37-F41 PolarHBondContact O-N 3.46Å; R38-F41 PolarHBondContact O-N 2.97Å; K39-F41 VanDerWaalsContact C-N 3.31Å; K39-F41 PolarHBondContact O-N 3.42Å; F41-P45 WeakPolarHBondContact O-CD 3.4Å; F41-L100 HydrophobicContact CE2-CD2 4.31Å; F41-L101 HydrophobicContact CE1-CD1 3.66Å; F41-L101 HydrophobicContact CE1-CD2 4.11Å; F41-L101 HydrophobicContact CE1-CG 4.03Å; F41-L101 HydrophobicContact CE2-CD2 4.32Å; F41-L101 HydrophobicContact CZ-CD1 3.73Å; F41-L101 HydrophobicContact CZ-CD2 3.68Å; F41-L101 HydrophobicContact CZ-CG 3.57Å; F41-H186 WeakPolarHBondContact CA-NE2 3.32Å; F41-H186 HydrophobicContact CD2-CB 4.47Å; F41-H186 HydrophobicContact CE2-CB 4.43Å
42T85.1Confident87.1Confident65 Ų6557.5 Ų57.540%0.39927%0.272SS..Hα-helixtrans-75.2-46.2-177.2-58.60000113.3R38 K39R38-T42 WeakPolarHBondContact O-CB 3.44Å; R38-T42 PolarHBondContact O-N 3.5Å; R38-T42 PolarHBondContact O-OG1 2.98Å; R38-T42 VanDerWaalsContact O-OG1 3.09Å; K39-T42 PolarHBondContact O-N 3.07Å
43Y90Very high88.3Confident117 Ų11751.3 Ų51.346%0.45925%0.251SS..Hα-helixtrans-95.5-17.9-173.8-66.4-74.6000113.7K39 M46 Y47K39-Y43 HydrophobicContact CB-CD2 4.4Å; K39-Y43 WeakPolarHBondContact O-CB 3.31Å; K39-Y43 WeakPolarHBondContact O-CD2 3.09Å; K39-Y43 PolarHBondContact O-N 3.09Å; Y43-M46 HydrophobicContact CD1-CE 3.6Å; Y43-M46 HydrophobicContact CD1-SD 3.86Å; Y43-M46 HydrophobicContact CE1-CE 3.88Å; Y43-M46 HydrophobicContact CE1-SD 4.35Å; Y43-M46 WeakPolarHBondContact O-CA 3.31Å; Y43-M46 VanDerWaalsContact O-CB 3.31Å; Y43-M46 WeakPolarHBondContact O-CB 3.39Å; Y43-M46 PolarHBondContact O-N 3.22Å; Y43-Y47 WeakPolarHBondContact O-CD2 3.27Å; Y43-Y47 PolarHBondContact O-N 2.92Å
44G91.3Very high89.3Confident3 Ų357.5 Ų57.53%0.03128%0.278CS..Hα-helixtrans-48.8-52.7178.400000114.3I40 M46 Y47 L48 L182I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 2.84Å; G44-M46 PolarHBondContact O-N 2.94Å; G44-Y47 PolarHBondContact O-N 2.9Å; G44-Y47 VanDerWaalsContact O-N 3.11Å; G44-L48 PolarHBondContact O-N 3.17Å; G44-L182 VanDerWaalsContact O-CD2 3.29Å; G44-L182 WeakPolarHBondContact O-CD2 3.32Å
45P94.1Very high90.2Very high4 Ų454.2 Ų54.23%0.02626%0.257CS..Hα-helixtrans-58.3-35176.5-23.733.6000112.6F41 L48 G49 V89 Y92F41-P45 WeakPolarHBondContact O-CD 3.4Å; P45-L48 PolarHBondContact O-N 2.03Å; P45-G49 PolarHBondContact O-N 3.16Å; P45-V89 HydrophobicContact CB-CG1 4.46Å; P45-V89 WeakPolarHBondContact O-CG2 3.39Å; P45-Y92 HydrophobicContact CB-CD1 3.9Å; P45-Y92 HydrophobicContact CB-CG 4.41Å; P45-Y92 HydrophobicContact CG-CD1 3.64Å; P45-Y92 HydrophobicContact CG-CE1 3.95Å
46M95.4Very high91Very high84 Ų8449 Ų4941%0.41423%0.233SC..Hα-helixtrans-68.2-39176.6-56.6-172.1-141.200112.2Y43 G44 G49 G50Y43-M46 HydrophobicContact CD1-CE 3.6Å; Y43-M46 HydrophobicContact CD1-SD 3.86Å; Y43-M46 HydrophobicContact CE1-CE 3.88Å; Y43-M46 HydrophobicContact CE1-SD 4.35Å; Y43-M46 WeakPolarHBondContact O-CA 3.31Å; Y43-M46 VanDerWaalsContact O-CB 3.31Å; Y43-M46 WeakPolarHBondContact O-CB 3.39Å; Y43-M46 PolarHBondContact O-N 3.22Å; G44-M46 PolarHBondContact O-N 2.94Å; M46-G49 CarbonylContact O-C 3.58Å; M46-G49 PolarHBondContact O-N 3.36Å; M46-G50 PolarHBondContact O-N 2.99Å
47Y94.1Very high92Very high173 Ų17346.2 Ų46.268%0.67822%0.218SC*.Hα-helixtrans-63.8-43.8174.4-75-71.1000111.7Y43 G44 G49 G50 N51Y43-Y47 WeakPolarHBondContact O-CD2 3.27Å; Y43-Y47 PolarHBondContact O-N 2.92Å; G44-Y47 PolarHBondContact O-N 2.9Å; G44-Y47 VanDerWaalsContact O-N 3.11Å; Y47-G49 VanDerWaalsContact C-N 3.31Å; Y47-G49 PolarHBondContact O-N 3.2Å; Y47-G50 PolarHBondContact O-N 3.46Å; Y47-N51 PolarHBondContact O-N 3.04Å
48L94.6Very high92.9Very high4 Ų449.3 Ų49.32%0.02123%0.233CC..Hα-helixtrans-63.4-39.8174.6-170.765.3000111.3G44 P45 N51 G52 T88 Y92 V118 F178 L182G44-L48 PolarHBondContact O-N 3.17Å; P45-L48 PolarHBondContact O-N 2.03Å; L48-N51 WeakPolarHBondContact O-CB 3.16Å; L48-N51 PolarHBondContact O-N 3.13Å; L48-G52 PolarHBondContact O-N 3.3Å; L48-T88 HydrophobicContact CB-CG2 4.35Å; L48-T88 HydrophobicContact CD2-CG2 4.08Å; L48-T88 HydrophobicContact CG-CG2 3.73Å; L48-Y92 HydrophobicContact CD2-CD2 3.43Å; L48-Y92 VanDerWaalsContact CD2-CD2 3.43Å; L48-Y92 HydrophobicContact CD2-CE2 4.05Å; L48-Y92 HydrophobicContact CD2-CG 4.19Å; L48-V118 HydrophobicContact CD2-CG1 4.15Å; L48-F178 HydrophobicContact CD1-CB 4.21Å; L48-L182 HydrophobicContact CB-CD2 4.07Å; L48-L182 HydrophobicContact CD2-CD2 4.37Å
49G96.4Very high93.6Very high0 Ų045.8 Ų45.80%022%0.22CC..Hα-helixtrans-58.3-45.3170.500000113.1P45 M46 Y47 N51 G52 A53 F85P45-G49 PolarHBondContact O-N 3.16Å; M46-G49 CarbonylContact O-C 3.58Å; M46-G49 PolarHBondContact O-N 3.36Å; Y47-G49 VanDerWaalsContact C-N 3.31Å; Y47-G49 PolarHBondContact O-N 3.2Å; G49-N51 VanDerWaalsContact C-N 3.29Å; G49-N51 PolarHBondContact O-N 3.3Å; G49-G52 CarbonylContact O-C 3.58Å; G49-G52 WeakPolarHBondContact O-CA 3.37Å; G49-G52 PolarHBondContact O-N 3.31Å; G49-A53 PolarHBondContact O-N 3.08Å; G49-F85 WeakPolarHBondContact O-CA 3.41Å; G49-F85 WeakPolarHBondContact O-CD2 2.96Å
50G97.1Very high94.2Very high20 Ų2041 Ų4121%0.20620%0.199CC..Hα-helixtrans-58.5-43.5176.300000111.5M46 Y47 G52 A53 F54M46-G50 PolarHBondContact O-N 2.99Å; Y47-G50 PolarHBondContact O-N 3.46Å; G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.09Å; G50-A53 VanDerWaalsContact O-CB 3.28Å; G50-A53 WeakPolarHBondContact O-CB 3.42Å; G50-A53 PolarHBondContact O-N 3.31Å; G50-A53 VanDerWaalsContact O-N 3.12Å; G50-F54 VanDerWaalsContact O-CD2 3.29Å; G50-F54 WeakPolarHBondContact O-CD2 3.47Å; G50-F54 PolarHBondContact O-N 3.07Å
51N95.8Very high94.8Very high44 Ų4442.6 Ų42.624%0.23521%0.214CC..Hα-helixtrans-60.7-39.9173.1-72.2-19.7000112.2Y47 L48 G49 F54 A55 Q175Y47-N51 PolarHBondContact O-N 3.04Å; L48-N51 WeakPolarHBondContact O-CB 3.16Å; L48-N51 PolarHBondContact O-N 3.13Å; G49-N51 VanDerWaalsContact C-N 3.29Å; G49-N51 PolarHBondContact O-N 3.3Å; N51-F54 PolarHBondContact O-N 3.34Å; N51-A55 WeakPolarHBondContact O-CB 3.32Å; N51-A55 PolarHBondContact O-N 2.93Å; N51-Q175 VanDerWaalsContact CB-OE1 3.23Å; N51-Q175 PolarHBondContact O-NE2 3.44Å
52G96.8Very high95.4Very high0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-61.3-40.4171.800000113.1L48 G49 G50 A55 G56 P84L48-G52 PolarHBondContact O-N 3.3Å; G49-G52 CarbonylContact O-C 3.58Å; G49-G52 WeakPolarHBondContact O-CA 3.37Å; G49-G52 PolarHBondContact O-N 3.31Å; G50-G52 VanDerWaalsContact C-N 3.31Å; G50-G52 PolarHBondContact O-N 3.09Å; G52-A55 PolarHBondContact O-N 3.48Å; G52-G56 PolarHBondContact O-N 3.07Å; G52-P84 VanDerWaalsContact O-CB 3.31Å; G52-P84 WeakPolarHBondContact O-CB 3.36Å
53A97.8Very high95.9Very high14 Ų1440.4 Ų40.412%0.11620%0.201CC..Hα-helixtrans-60.9-47.1174.600000111.6G49 G50 A55 G56 L57 A81 F85G49-A53 PolarHBondContact O-N 3.08Å; G50-A53 VanDerWaalsContact O-CB 3.28Å; G50-A53 WeakPolarHBondContact O-CB 3.42Å; G50-A53 PolarHBondContact O-N 3.31Å; G50-A53 VanDerWaalsContact O-N 3.12Å; A53-A55 PolarHBondContact O-N 3.17Å; A53-G56 PolarHBondContact O-N 3.43Å; A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.36Å; A53-A81 HydrophobicContact CB-CB 4.32Å; A53-A81 WeakPolarHBondContact CB-O 3.36Å; A53-F85 HydrophobicContact CB-CB 4.09Å
54F97.3Very high96.2Very high138 Ų13835.9 Ų35.961%0.60518%0.183SC*.Hα-helixtrans-61.6-43.8176.1-85.1-72.2000111.9G50 N51 G56 L57 I58G50-F54 VanDerWaalsContact O-CD2 3.29Å; G50-F54 WeakPolarHBondContact O-CD2 3.47Å; G50-F54 PolarHBondContact O-N 3.07Å; N51-F54 PolarHBondContact O-N 3.34Å; F54-G56 VanDerWaalsContact C-N 3.27Å; F54-G56 PolarHBondContact O-N 3.01Å; F54-L57 PolarHBondContact O-N 2.72Å; F54-I58 VanDerWaalsContact O-CG1 3.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.45Å; F54-I58 PolarHBondContact O-N 2.89Å
55A97.1Very high96.4Very high1 Ų145.5 Ų45.51%0.00822%0.218CC..Hα-helixtrans-59.2-40.3175.200000111.8N51 G52 A53 I58 A59 A123 P127 M168 V171N51-A55 WeakPolarHBondContact O-CB 3.32Å; N51-A55 PolarHBondContact O-N 2.93Å; G52-A55 PolarHBondContact O-N 3.48Å; A53-A55 PolarHBondContact O-N 3.17Å; A55-I58 PolarHBondContact O-N 2.88Å; A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.35Å; A55-A123 WeakPolarHBondContact CB-O 3.28Å; A55-P127 HydrophobicContact CB-CG 3.96Å; A55-M168 HydrophobicContact CB-CE 4.25Å; A55-V171 HydrophobicContact CB-CG1 3.88Å
56G97.3Very high96.3Very high0 Ų047.6 Ų47.60%024%0.236CC..Hα-helixtrans-63.2-42.5173.800000113.7G52 A53 F54 A59 N60 M80G52-G56 PolarHBondContact O-N 3.07Å; A53-G56 PolarHBondContact O-N 3.43Å; F54-G56 VanDerWaalsContact C-N 3.27Å; F54-G56 PolarHBondContact O-N 3.01Å; G56-A59 PolarHBondContact O-N 3.4Å; G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.38Å; G56-N60 PolarHBondContact O-N 2.94Å; G56-M80 WeakPolarHBondContact CA-O 3.48Å
57L97.8Very high96.3Very high59 Ų5943.6 Ų43.631%0.30922%0.216SC..Hα-helixtrans-65.2-40.4174.9-67.8177.9000112.5A53 F54 N60 S61 N77 A81A53-L57 WeakPolarHBondContact O-CG 3.37Å; A53-L57 PolarHBondContact O-N 3.36Å; F54-L57 PolarHBondContact O-N 2.72Å; L57-N60 PolarHBondContact O-N 2.91Å; L57-S61 WeakPolarHBondContact O-CB 3.43Å; L57-S61 PolarHBondContact O-N 3.35Å; L57-N77 HydrophobicContact CD2-CB 3.81Å; L57-N77 WeakPolarHBondContact CD2-O 3.32Å; L57-A81 HydrophobicContact CD1-CB 4.39Å; L57-A81 HydrophobicContact CD2-CB 4.11Å; L57-A81 HydrophobicContact CG-CB 4.19Å
58I97.3Very high96.2Very high76 Ų7640.9 Ų40.939%0.3921%0.213SC..Hα-helixtrans-64.1-49.8175.9-66.3166000110F54 A55 N60 S61 L62 M168F54-I58 VanDerWaalsContact O-CG1 3.28Å; F54-I58 WeakPolarHBondContact O-CG1 3.45Å; F54-I58 PolarHBondContact O-N 2.89Å; A55-I58 PolarHBondContact O-N 2.88Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.47Å; I58-S61 PolarHBondContact O-N 3.41Å; I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.39Å; I58-M168 HydrophobicContact CB-SD 4.32Å; I58-M168 HydrophobicContact CG2-SD 3.68Å
59A97Very high96.2Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-57.1-45.9176.900000111A55 G56 S61 L62 Y63 I128 A131 M168A55-A59 VanDerWaalsContact O-CB 3.32Å; A55-A59 WeakPolarHBondContact O-CB 3.3Å; A55-A59 PolarHBondContact O-N 3.35Å; G56-A59 PolarHBondContact O-N 3.4Å; A59-S61 PolarHBondContact O-N 2.89Å; A59-L62 PolarHBondContact O-N 3.46Å; A59-Y63 WeakPolarHBondContact O-CD2 3.23Å; A59-Y63 PolarHBondContact O-N 2.95Å; A59-I128 HydrophobicContact CB-CG1 4.43Å; A59-A131 HydrophobicContact CB-CB 4.01Å; A59-M168 HydrophobicContact CB-CE 4.13Å; A59-M168 HydrophobicContact CB-SD 4.37Å
60N97.3Very high96Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-58.3-48.6176.7-165.846.4000111.6G56 L57 I58 L62 Y63 R64 S76 N77 M80 N135G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.38Å; G56-N60 PolarHBondContact O-N 2.94Å; L57-N60 PolarHBondContact O-N 2.91Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 3.47Å; N60-L62 VanDerWaalsContact C-N 3.31Å; N60-L62 PolarHBondContact O-N 2.88Å; N60-Y63 PolarHBondContact O-N 3.37Å; N60-R64 WeakPolarHBondContact O-CB 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.23Å; N60-R64 PolarHBondContact O-N 3.33Å; N60-S76 WeakPolarHBondContact ND2-CB 3.36Å; N60-S76 PolarHBondContact ND2-OG 3.05Å; N60-N77 PolarHBondContact ND2-OD1 3.22Å; N60-M80 HydrophobicContact CB-CB 4.06Å; N60-M80 HydrophobicContact CB-CG 3.84Å; N60-N135 PolarHBondContact OD1-ND2 2.63Å; N60-N135 PolarHBondContact OD1-OD1 3.47Å
61S96.8Very high95.8Very high76 Ų7648.5 Ų48.553%0.53125%0.25SC..Hα-helixtrans-58.4-42.2178.7-174.80000112.4L57 I58 A59 R64 R65L57-S61 WeakPolarHBondContact O-CB 3.43Å; L57-S61 PolarHBondContact O-N 3.35Å; I58-S61 PolarHBondContact O-N 3.41Å; A59-S61 PolarHBondContact O-N 2.89Å; S61-R64 PolarHBondContact O-N 3.42Å; S61-R65 PolarHBondContact O-N 3.15Å
62L96.6Very high95.4Very high35 Ų3547.2 Ų47.218%0.18325%0.247CC..Hα-helixtrans-64.5-46.9177.9-69174.6000112.3I58 A59 N60 R65 A66 I164 K167 M168I58-L62 HydrophobicContact CG2-CD1 4.17Å; I58-L62 WeakPolarHBondContact O-CG 3.26Å; I58-L62 PolarHBondContact O-N 3.39Å; A59-L62 PolarHBondContact O-N 3.46Å; N60-L62 VanDerWaalsContact C-N 3.31Å; N60-L62 PolarHBondContact O-N 2.88Å; L62-R65 PolarHBondContact O-N 3.47Å; L62-A66 PolarHBondContact O-N 3.49Å; L62-I164 HydrophobicContact CB-CD1 4.37Å; L62-I164 HydrophobicContact CB-CG1 4.17Å; L62-I164 HydrophobicContact CB-CG2 4.09Å; L62-I164 HydrophobicContact CD1-CG2 4.02Å; L62-K167 HydrophobicContact CD1-CB 4.07Å; L62-K167 HydrophobicContact CD1-CD 4.35Å; L62-K167 HydrophobicContact CD2-CD 3.78Å; L62-M168 HydrophobicContact CD1-CG 4.09Å; L62-M168 HydrophobicContact CD1-SD 4.16Å
63Y96.3Very high95Very high1 Ų155.5 Ų55.50%0.00428%0.278CS..Hα-helixtrans-66.7-39.7177.1-84.4-73.2000112.6A59 N60 R65 A66 L67 I128 A131 L132 N135 I160 T161 I164A59-Y63 WeakPolarHBondContact O-CD2 3.23Å; A59-Y63 PolarHBondContact O-N 2.95Å; N60-Y63 PolarHBondContact O-N 3.37Å; Y63-R65 VanDerWaalsContact C-N 3.3Å; Y63-R65 PolarHBondContact O-N 3.21Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-A66 VanDerWaalsContact O-N 3.16Å; Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.21Å; Y63-I128 HydrophobicContact CE2-CG2 4.14Å; Y63-A131 HydrophobicContact CD2-CB 3.55Å; Y63-A131 HydrophobicContact CE2-CB 3.96Å; Y63-A131 HydrophobicContact CG-CB 4.47Å; Y63-L132 HydrophobicContact CE1-CB 4.2Å; Y63-L132 HydrophobicContact CE1-CD1 4.12Å; Y63-L132 HydrophobicContact CE1-CG 4.29Å; Y63-N135 WeakPolarHBondContact CB-ND2 3.38Å; Y63-I160 HydrophobicContact CD1-CG2 4.05Å; Y63-I160 HydrophobicContact CE1-CG2 4.02Å; Y63-T161 VanDerWaalsContact OH-CG2 3.26Å; Y63-T161 WeakPolarHBondContact OH-CG2 3.32Å; Y63-T161 PolarHBondContact OH-OG1 3.32Å; Y63-I164 HydrophobicContact CD1-CD1 3.38Å; Y63-I164 HydrophobicContact CD2-CD1 3.92Å; Y63-I164 HydrophobicContact CD2-CG2 4.31Å; Y63-I164 HydrophobicContact CE1-CD1 3.46Å; Y63-I164 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I164 HydrophobicContact CE2-CD1 4.01Å; Y63-I164 HydrophobicContact CE2-CG2 3.92Å; Y63-I164 HydrophobicContact CG-CD1 3.62Å
64R95.6Very high94.7Very high21 Ų2162.3 Ų62.38%0.07931%0.305CS..Hα-helixtrans-58.8-42.9175.3-73.7178.5688612.4111.7N60 S61 L67 N68 V69 T70 Q71 G72 S76 N135N60-R64 WeakPolarHBondContact O-CB 3.27Å; N60-R64 WeakPolarHBondContact O-CG 3.23Å; N60-R64 PolarHBondContact O-N 3.33Å; S61-R64 PolarHBondContact O-N 3.42Å; R64-L67 PolarHBondContact O-N 3.43Å; R64-N68 PolarHBondContact O-N 3.38Å; R64-V69 HydrophobicContact CB-CB 4.4Å; R64-V69 HydrophobicContact CG-CB 4.35Å; R64-V69 VanDerWaalsContact CZ-O 3.29Å; R64-V69 PolarHBondContact NE-O 2.89Å; R64-V69 PolarHBondContact NH2-O 3.19Å; R64-V69 PolarHBondContact O-N 2.93Å; R64-T70 PolarHBondContact NH2-O 3.34Å; R64-Q71 PolarHBondContact NH1-O 3.5Å; R64-Q71 PolarHBondContact NH2-O 3.41Å; R64-G72 PolarHBondContact NH1-O 3.43Å; R64-S76 PolarHBondContact NH1-OG 3.33Å; R64-N135 WeakPolarHBondContact CG-OD1 3.44Å
65R95Very high94.3Very high205 Ų20559.8 Ų59.877%0.77430%0.301SS*.Hα-helixtrans-67.2-38.2176-173.4174.71791750.6111.9S61 L62 Y63 L67S61-R65 PolarHBondContact O-N 3.15Å; L62-R65 PolarHBondContact O-N 3.47Å; Y63-R65 VanDerWaalsContact C-N 3.3Å; Y63-R65 PolarHBondContact O-N 3.21Å; R65-L67 VanDerWaalsContact C-N 3.35Å
66A94Very high94.1Very high49 Ų4959.7 Ų59.741%0.40530%0.301SS..Hα-helixtrans-68.7-32.1178.500000113.2L62 Y63 I160 I164L62-A66 PolarHBondContact O-N 3.49Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-A66 VanDerWaalsContact O-N 3.16Å; A66-I160 HydrophobicContact CB-CG2 3.93Å; A66-I164 HydrophobicContact CB-CD1 4.35Å
67L93.5Very high94Very high0 Ų062.5 Ų62.50%032%0.316CS..THydrogen-bonded Turntrans-103.613.5-178.6-65.8174.8000113.8Y63 R64 R65 V69 N135 A139 T144 T145 F156 W157 I160Y63-L67 WeakPolarHBondContact O-CB 3.39Å; Y63-L67 PolarHBondContact O-N 3.21Å; R64-L67 PolarHBondContact O-N 3.43Å; R65-L67 VanDerWaalsContact C-N 3.35Å; L67-V69 HydrophobicContact CB-CG2 3.85Å; L67-V69 PolarHBondContact O-N 3.49Å; L67-N135 HydrophobicContact CD1-CB 3.85Å; L67-A139 HydrophobicContact CB-CB 4.19Å; L67-A139 HydrophobicContact CD1-CB 4.26Å; L67-T144 PolarHBondContact O-OG1 3.19Å; L67-T145 VanDerWaalsContact C-OG1 3.3Å; L67-T145 HydrophobicContact CD2-CG2 4.44Å; L67-T145 PolarHBondContact O-OG1 3.37Å; L67-F156 HydrophobicContact CD2-CE1 4.42Å; L67-F156 HydrophobicContact CD2-CZ 4.23Å; L67-W157 HydrophobicContact CD1-CH2 4.17Å; L67-W157 HydrophobicContact CD1-CZ3 4.06Å; L67-W157 HydrophobicContact CD2-CZ3 4.45Å; L67-I160 HydrophobicContact CD2-CD1 3.64Å
68N93.9Very high93.9Very high115 Ų11563.7 Ų63.762%0.61532%0.322SS*.THydrogen-bonded Turntrans48.634.7-177.1-81.6-21.7000114.6R64 T70 T144R64-N68 PolarHBondContact O-N 3.38Å; N68-T70 PolarHBondContact O-N 2.86Å; N68-T144 WeakPolarHBondContact O-CB 3.46Å
69V93.6Very high93.8Very high6 Ų661.7 Ų61.74%0.03631%0.314CS..  trans-84.3105.9-179.4-177.50000109.9R64 L67 L138 A139R64-V69 HydrophobicContact CB-CB 4.4Å; R64-V69 HydrophobicContact CG-CB 4.35Å; R64-V69 VanDerWaalsContact CZ-O 3.29Å; R64-V69 PolarHBondContact NE-O 2.89Å; R64-V69 PolarHBondContact NH2-O 3.19Å; R64-V69 PolarHBondContact O-N 2.93Å; L67-V69 HydrophobicContact CB-CG2 3.85Å; L67-V69 PolarHBondContact O-N 3.49Å; V69-L138 HydrophobicContact CG1-CB 3.76Å; V69-L138 HydrophobicContact CG1-CD1 4.13Å; V69-L138 HydrophobicContact CG2-CB 4.38Å; V69-A139 HydrophobicContact CG2-CB 4.02Å
70T91.6Very high93.7Very high80 Ų8061.7 Ų61.749%0.49131%0.314SS..  trans-95.3-26.6174.9550000113R64 N68R64-T70 PolarHBondContact NH2-O 3.34Å; N68-T70 PolarHBondContact O-N 2.86Å
71Q92.6Very high93.7Very high99 Ų9962.9 Ų62.946%0.46332%0.324SS..SBendtrans-86162.7-176.1-44.4-48.2-8.600113.3R64 R73 Y142R64-Q71 PolarHBondContact NH1-O 3.5Å; R64-Q71 PolarHBondContact NH2-O 3.41Å; Q71-R73 PolarHBondContact O-N 3.38Å; Q71-Y142 HydrophobicContact CB-CD1 4.01Å; Q71-Y142 HydrophobicContact CB-CD2 3.84Å; Q71-Y142 HydrophobicContact CB-CE1 3.92Å; Q71-Y142 HydrophobicContact CB-CE2 3.74Å; Q71-Y142 HydrophobicContact CB-CG 3.97Å; Q71-Y142 HydrophobicContact CG-CD1 4.03Å; Q71-Y142 HydrophobicContact CG-CD2 4.49Å; Q71-Y142 HydrophobicContact CG-CE1 4.27Å; Q71-Y142 HydrophobicContact CG-CG 4.14Å
72G88Confident93.8Very high17 Ų1762.3 Ų62.318%0.17532%0.317CS..  trans6339.2176.200000114.3R64 T75 S76R64-G72 PolarHBondContact NH1-O 3.43Å; G72-T75 VanDerWaalsContact C-OG1 3.31Å; G72-T75 WeakPolarHBondContact CA-OG1 3.28Å; G72-T75 PolarHBondContact O-N 2.96Å; G72-T75 PolarHBondContact O-OG1 3.47Å; G72-S76 PolarHBondContact O-N 3.01Å; G72-S76 PolarHBondContact O-OG 3.07Å
73R89.3Confident93.8Very high174 Ų17464 Ų6466%0.65733%0.326SS*.Hα-helixtrans-59-49.4178.8-70.8-177.5179.3178.1-2.3111.2Q71 S76 N77Q71-R73 PolarHBondContact O-N 3.38Å; R73-S76 PolarHBondContact O-OG 3.01Å; R73-N77 WeakPolarHBondContact O-CB 3.46Å; R73-N77 PolarHBondContact O-N 3.36Å; R73-N77 PolarHBondContact O-ND2 3.05Å
74F91.6Very high93.8Very high156 Ų15664 Ų6468%0.68433%0.326SS*.Hα-helixtrans-66.8-42.5178.2-168.7-103.5000112S76 N77 L78F74-S76 VanDerWaalsContact C-N 3.27Å; F74-S76 PolarHBondContact O-N 3Å; F74-N77 PolarHBondContact O-N 3.4Å; F74-L78 HydrophobicContact CE1-CD1 3.71Å; F74-L78 HydrophobicContact CE2-CD1 4.04Å; F74-L78 HydrophobicContact CZ-CD1 3.37Å; F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 3.39Å
75T88.9Confident93.9Very high85 Ų8566.1 Ų66.152%0.52134%0.336SS..Hα-helixtrans-67.4-24.7-176.559.80000113.5G72 P79G72-T75 VanDerWaalsContact C-OG1 3.31Å; G72-T75 WeakPolarHBondContact CA-OG1 3.28Å; G72-T75 PolarHBondContact O-N 2.96Å; G72-T75 PolarHBondContact O-OG1 3.47Å; T75-P79 WeakPolarHBondContact O-CD 3.21Å; T75-P79 WeakPolarHBondContact O-CG 3.5Å
76S91.9Very high94Very high0 Ų060.9 Ų60.90%032%0.323CS..Hα-helixtrans-93.9-43.8170.451.30000113N60 R64 G72 R73 F74 L78 P79 M80N60-S76 WeakPolarHBondContact ND2-CB 3.36Å; N60-S76 PolarHBondContact ND2-OG 3.05Å; R64-S76 PolarHBondContact NH1-OG 3.33Å; G72-S76 PolarHBondContact O-N 3.01Å; G72-S76 PolarHBondContact O-OG 3.07Å; R73-S76 PolarHBondContact O-OG 3.01Å; F74-S76 VanDerWaalsContact C-N 3.27Å; F74-S76 PolarHBondContact O-N 3Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.72Å; S76-P79 VanDerWaalsContact O-CD 3.28Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; S76-P79 WeakPolarHBondContact O-CG 3.47Å; S76-M80 VanDerWaalsContact O-CB 3.32Å; S76-M80 WeakPolarHBondContact O-CB 3.42Å; S76-M80 WeakPolarHBondContact O-CG 3.42Å; S76-M80 PolarHBondContact O-N 2.69Å; S76-M80 VanDerWaalsContact O-N 3.11Å
77N94.8Very high94.2Very high59 Ų5960.5 Ų60.532%0.31632%0.315SS..Hα-helixtrans-63.5-38.9-176.1-72.7-16.8000112.6L57 N60 R73 F74 M80 A81L57-N77 HydrophobicContact CD2-CB 3.81Å; L57-N77 WeakPolarHBondContact CD2-O 3.32Å; N60-N77 PolarHBondContact ND2-OD1 3.22Å; R73-N77 WeakPolarHBondContact O-CB 3.46Å; R73-N77 PolarHBondContact O-N 3.36Å; R73-N77 PolarHBondContact O-ND2 3.05Å; F74-N77 PolarHBondContact O-N 3.4Å; N77-M80 PolarHBondContact O-N 2.88Å; N77-A81 WeakPolarHBondContact O-CB 3.37Å; N77-A81 PolarHBondContact O-N 3.49Å
78L96.5Very high94.3Very high83 Ų8360.5 Ų60.544%0.43532%0.315SS..Hα-helixtrans-61.9-55.6-178.6-172.7139.8000112.5F74 S76 M80 A81 V82F74-L78 HydrophobicContact CE1-CD1 3.71Å; F74-L78 HydrophobicContact CE2-CD1 4.04Å; F74-L78 HydrophobicContact CZ-CD1 3.37Å; F74-L78 VanDerWaalsContact O-CB 3.3Å; F74-L78 WeakPolarHBondContact O-CB 3.33Å; F74-L78 PolarHBondContact O-N 3.39Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.72Å; L78-M80 VanDerWaalsContact C-N 3.25Å; L78-M80 PolarHBondContact O-N 3.36Å; L78-A81 PolarHBondContact O-N 3.49Å; L78-V82 HydrophobicContact CD2-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.84Å
79P94.5Very high94.5Very high35 Ų3556.2 Ų56.223%0.22729%0.293CS..Hα-helixtrans-64.3-31.417624.3-33.4000112.4T75 S76 A81 L83 P84T75-P79 WeakPolarHBondContact O-CD 3.21Å; T75-P79 WeakPolarHBondContact O-CG 3.5Å; S76-P79 VanDerWaalsContact O-CD 3.28Å; S76-P79 WeakPolarHBondContact O-CD 3.37Å; S76-P79 WeakPolarHBondContact O-CG 3.47Å; P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.44Å; P79-L83 HydrophobicContact CB-CD1 4.06Å; P79-L83 HydrophobicContact CB-CG 4.46Å; P79-L83 VanDerWaalsContact O-CB 3.28Å; P79-L83 WeakPolarHBondContact O-CB 3.36Å; P79-L83 WeakPolarHBondContact O-CG 3.32Å; P79-L83 PolarHBondContact O-N 2.99Å; P79-P84 WeakPolarHBondContact O-CD 3.38Å
80M96.4Very high94.7Very high0 Ų058.5 Ų58.50%031%0.312CS..Hα-helixtrans-73.7-18.6178.5-65.2-50.985.700113.7G56 N60 S76 N77 L78 P84 L130 A131 V134G56-M80 WeakPolarHBondContact CA-O 3.48Å; N60-M80 HydrophobicContact CB-CB 4.06Å; N60-M80 HydrophobicContact CB-CG 3.84Å; S76-M80 VanDerWaalsContact O-CB 3.32Å; S76-M80 WeakPolarHBondContact O-CB 3.42Å; S76-M80 WeakPolarHBondContact O-CG 3.42Å; S76-M80 PolarHBondContact O-N 2.69Å; S76-M80 VanDerWaalsContact O-N 3.11Å; N77-M80 PolarHBondContact O-N 2.88Å; L78-M80 VanDerWaalsContact C-N 3.25Å; L78-M80 PolarHBondContact O-N 3.36Å; M80-P84 VanDerWaalsContact O-CD 3.22Å; M80-P84 WeakPolarHBondContact O-CD 3.33Å; M80-P84 WeakPolarHBondContact O-CG 3.32Å; M80-L130 HydrophobicContact CE-CD1 4.27Å; M80-L130 HydrophobicContact CE-CD2 3.33Å; M80-L130 HydrophobicContact CE-CG 3.45Å; M80-L130 VanDerWaalsContact CE-CG 3.45Å; M80-L130 HydrophobicContact SD-CB 4.32Å; M80-L130 HydrophobicContact SD-CD2 3.86Å; M80-L130 HydrophobicContact SD-CG 3.76Å; M80-A131 HydrophobicContact SD-CB 4.25Å; M80-V134 HydrophobicContact CE-CB 4.47Å; M80-V134 HydrophobicContact CE-CG2 3.68Å; M80-V134 HydrophobicContact SD-CB 4.42Å; M80-V134 HydrophobicContact SD-CG2 4.15Å
81A96.9Very high94.9Very high24 Ų2457.9 Ų57.920%0.19831%0.305CS..Hα-helixtrans-87.7-51.5168.100000111.1A53 L57 N77 L78 P79 F85A53-A81 HydrophobicContact CB-CB 4.32Å; A53-A81 WeakPolarHBondContact CB-O 3.36Å; L57-A81 HydrophobicContact CD1-CB 4.39Å; L57-A81 HydrophobicContact CD2-CB 4.11Å; L57-A81 HydrophobicContact CG-CB 4.19Å; N77-A81 WeakPolarHBondContact O-CB 3.37Å; N77-A81 PolarHBondContact O-N 3.49Å; L78-A81 PolarHBondContact O-N 3.49Å; P79-A81 VanDerWaalsContact C-N 3.3Å; P79-A81 PolarHBondContact O-N 3.44Å; A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 3.46Å
82V97.5Very high95Very high65 Ų6553.1 Ų53.139%0.39428%0.283SS..Hα-helixtrans-70.6-45-169.1175.80000112.2L78 F85 L86L78-V82 HydrophobicContact CD2-CG2 4.46Å; L78-V82 HydrophobicContact CG-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.37Å; L78-V82 VanDerWaalsContact O-CG2 3.31Å; L78-V82 WeakPolarHBondContact O-CG2 3.35Å; L78-V82 PolarHBondContact O-N 2.84Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 2.84Å; V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.29Å; V82-L86 WeakPolarHBondContact O-CG 3.5Å; V82-L86 PolarHBondContact O-N 3.34Å
83L97.3Very high95.4Very high71 Ų7154.9 Ų54.937%0.37229%0.288SS..Hα-helixtrans-67.6-50.5-176.3-62.1173.5000111.4P79 F85 L86 T87 L130P79-L83 HydrophobicContact CB-CD1 4.06Å; P79-L83 HydrophobicContact CB-CG 4.46Å; P79-L83 VanDerWaalsContact O-CB 3.28Å; P79-L83 WeakPolarHBondContact O-CB 3.36Å; P79-L83 WeakPolarHBondContact O-CG 3.32Å; P79-L83 PolarHBondContact O-N 2.99Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.33Å; L83-L86 PolarHBondContact O-N 3.39Å; L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.26Å; L83-T87 PolarHBondContact O-N 3.13Å; L83-T87 PolarHBondContact O-OG1 2.92Å; L83-L130 HydrophobicContact CB-CD2 3.87Å; L83-L130 HydrophobicContact CD1-CD1 4.44Å; L83-L130 HydrophobicContact CD1-CD2 4.09Å
84P96.6Very high95.6Very high0 Ų051.1 Ų51.10%028%0.284CS..Hα-helixtrans-60.2-35.8175.6-27.540.3000113.5G52 P79 M80 T88 Y126 P127 L130G52-P84 VanDerWaalsContact O-CB 3.31Å; G52-P84 WeakPolarHBondContact O-CB 3.36Å; P79-P84 WeakPolarHBondContact O-CD 3.38Å; M80-P84 VanDerWaalsContact O-CD 3.22Å; M80-P84 WeakPolarHBondContact O-CD 3.33Å; M80-P84 WeakPolarHBondContact O-CG 3.32Å; P84-T88 WeakPolarHBondContact O-CB 3.31Å; P84-T88 PolarHBondContact O-N 3.4Å; P84-T88 PolarHBondContact O-OG1 3.37Å; P84-Y126 HydrophobicContact CB-CD1 4.25Å; P84-Y126 HydrophobicContact CB-CE1 4.33Å; P84-Y126 HydrophobicContact CG-CD1 4.28Å; P84-Y126 HydrophobicContact CG-CE1 4.11Å; P84-P127 HydrophobicContact CB-CB 4.27Å; P84-P127 HydrophobicContact CB-CG 4.28Å; P84-P127 HydrophobicContact CG-CB 4.02Å; P84-L130 HydrophobicContact CG-CD2 4.03Å
85F97.6Very high95.7Very high65 Ų6545.1 Ų45.129%0.28526%0.263SS..Hα-helixtrans-57.4-60.3173.2176.3-94.2000111.6G49 A53 A81 V82 L83 T87 T88 V89G49-F85 WeakPolarHBondContact O-CA 3.41Å; G49-F85 WeakPolarHBondContact O-CD2 2.96Å; A53-F85 HydrophobicContact CB-CB 4.09Å; A81-F85 VanDerWaalsContact O-CB 3.25Å; A81-F85 WeakPolarHBondContact O-CB 3.37Å; A81-F85 PolarHBondContact O-N 3.46Å; V82-F85 WeakPolarHBondContact O-CB 3.42Å; V82-F85 PolarHBondContact O-N 2.84Å; L83-F85 VanDerWaalsContact C-N 3.28Å; L83-F85 PolarHBondContact O-N 3.33Å; F85-T87 PolarHBondContact O-N 3.06Å; F85-T88 PolarHBondContact O-N 3.49Å; F85-V89 HydrophobicContact CD1-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 4.14Å; F85-V89 HydrophobicContact CE2-CG2 4.27Å; F85-V89 HydrophobicContact CZ-CG2 4.02Å; F85-V89 VanDerWaalsContact O-CG2 3.31Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.23Å
86L97.8Very high95.9Very high96 Ų9641 Ų4150%0.50324%0.238SC..Hα-helixtrans-63.9-43-174.9-68.5176.9000111.4V82 L83 T88 V89 A90V82-L86 HydrophobicContact CG1-CD1 3.77Å; V82-L86 HydrophobicContact CG1-CG 4.29Å; V82-L86 WeakPolarHBondContact O-CG 3.5Å; V82-L86 PolarHBondContact O-N 3.34Å; L83-L86 PolarHBondContact O-N 3.39Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 2.71Å; L86-V89 PolarHBondContact O-N 3.48Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.41Å
87T96.9Very high95.9Very high41 Ų4141.3 Ų41.325%0.25224%0.24SC..Hα-helixtrans-60.7-44.9178.1-60.10000111L83 F85 A90 M91 Y126L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.26Å; L83-T87 PolarHBondContact O-N 3.13Å; L83-T87 PolarHBondContact O-OG1 2.92Å; F85-T87 PolarHBondContact O-N 3.06Å; T87-A90 PolarHBondContact O-N 3.41Å; T87-M91 HydrophobicContact CG2-CG 4.31Å; T87-M91 HydrophobicContact CG2-SD 3.95Å; T87-M91 VanDerWaalsContact O-CB 3.31Å; T87-M91 WeakPolarHBondContact O-CB 3.48Å; T87-M91 VanDerWaalsContact O-CG 3.26Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.45Å; T87-Y126 HydrophobicContact CG2-CD1 4.19Å; T87-Y126 HydrophobicContact CG2-CE1 4.03Å
88T97Very high95.6Very high0 Ų045.1 Ų45.10%025%0.254CS..Hα-helixtrans-65.4-45.5179.4-59.20000111.7L48 P84 F85 L86 A90 M91 Y92 G122 A123L48-T88 HydrophobicContact CB-CG2 4.35Å; L48-T88 HydrophobicContact CD2-CG2 4.08Å; L48-T88 HydrophobicContact CG-CG2 3.73Å; P84-T88 WeakPolarHBondContact O-CB 3.31Å; P84-T88 PolarHBondContact O-N 3.4Å; P84-T88 PolarHBondContact O-OG1 3.37Å; F85-T88 PolarHBondContact O-N 3.49Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-T88 PolarHBondContact O-N 2.71Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.09Å; T88-M91 PolarHBondContact O-N 2.82Å; T88-Y92 WeakPolarHBondContact O-CB 3.38Å; T88-Y92 PolarHBondContact O-N 3.47Å; T88-G122 PolarHBondContact OG1-O 3.22Å; T88-G122 VanDerWaalsContact OG1-O 3.13Å; T88-A123 HydrophobicContact CG2-CB 4.01Å; T88-A123 PolarHBondContact OG1-N 2.83Å
89V97.3Very high95.2Very high25 Ų2542 Ų4215%0.15224%0.238CC..Hα-helixtrans-59.3-46.8176.5173.30000110.5P45 F85 L86 Y92 N93P45-V89 HydrophobicContact CB-CG1 4.46Å; P45-V89 WeakPolarHBondContact O-CG2 3.39Å; F85-V89 HydrophobicContact CD1-CG2 4.48Å; F85-V89 HydrophobicContact CE1-CG2 4.14Å; F85-V89 HydrophobicContact CE2-CG2 4.27Å; F85-V89 HydrophobicContact CZ-CG2 4.02Å; F85-V89 VanDerWaalsContact O-CG2 3.31Å; F85-V89 WeakPolarHBondContact O-CG2 3.33Å; F85-V89 PolarHBondContact O-N 3.23Å; L86-V89 PolarHBondContact O-N 3.48Å; V89-Y92 PolarHBondContact O-N 3Å; V89-N93 WeakPolarHBondContact O-CB 3.27Å; V89-N93 PolarHBondContact O-N 2.93Å; V89-N93 PolarHBondContact O-ND2 3.08Å; V89-N93 VanDerWaalsContact O-ND2 3.08Å
90A97Very high94.8Very high53 Ų5340.3 Ų40.344%0.43823%0.228SC..Hα-helixtrans-63.9-47.5179.600000111.7L86 T87 T88 Y92 N93 V94L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.37Å; L86-A90 PolarHBondContact O-N 3.41Å; T87-A90 PolarHBondContact O-N 3.41Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.09Å; A90-Y92 PolarHBondContact O-N 3.04Å; A90-N93 PolarHBondContact O-N 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.25Å; A90-V94 PolarHBondContact O-N 2.87Å
91M96.1Very high94.1Very high67 Ų6743 Ų4333%0.3324%0.242SC..Hα-helixtrans-59.2-45.7177.1-77.8-178.177.500111.5T87 T88 N93 V94 A95 V118 V121T87-M91 HydrophobicContact CG2-CG 4.31Å; T87-M91 HydrophobicContact CG2-SD 3.95Å; T87-M91 VanDerWaalsContact O-CB 3.31Å; T87-M91 WeakPolarHBondContact O-CB 3.48Å; T87-M91 VanDerWaalsContact O-CG 3.26Å; T87-M91 WeakPolarHBondContact O-CG 3.46Å; T87-M91 PolarHBondContact O-N 3.45Å; T88-M91 PolarHBondContact O-N 2.82Å; M91-N93 PolarHBondContact O-N 3.47Å; M91-V94 PolarHBondContact O-N 2.89Å; M91-A95 WeakPolarHBondContact O-CB 3.38Å; M91-A95 PolarHBondContact O-N 3.46Å; M91-V118 HydrophobicContact CB-CG1 4.01Å; M91-V118 HydrophobicContact CB-CG2 4.41Å; M91-V121 HydrophobicContact CE-CB 4.37Å; M91-V121 HydrophobicContact CE-CG1 4.1Å
92Y96.2Very high93.3Very high0 Ų044.8 Ų44.80%025%0.253CS..Hα-helixtrans-62.6-45.4179.5-168.4-83.2000111.3P45 L48 T88 V89 A90 V94 A95 V96 S97 V118 L182 S183 H186P45-Y92 HydrophobicContact CB-CD1 3.9Å; P45-Y92 HydrophobicContact CB-CG 4.41Å; P45-Y92 HydrophobicContact CG-CD1 3.64Å; P45-Y92 HydrophobicContact CG-CE1 3.95Å; L48-Y92 HydrophobicContact CD2-CD2 3.43Å; L48-Y92 VanDerWaalsContact CD2-CD2 3.43Å; L48-Y92 HydrophobicContact CD2-CE2 4.05Å; L48-Y92 HydrophobicContact CD2-CG 4.19Å; T88-Y92 WeakPolarHBondContact O-CB 3.38Å; T88-Y92 PolarHBondContact O-N 3.47Å; V89-Y92 PolarHBondContact O-N 3Å; A90-Y92 PolarHBondContact O-N 3.04Å; Y92-V94 VanDerWaalsContact C-N 3.35Å; Y92-V94 PolarHBondContact O-N 3.29Å; Y92-A95 PolarHBondContact O-N 2.92Å; Y92-V96 HydrophobicContact CD1-CB 4.25Å; Y92-V96 HydrophobicContact CD2-CB 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.25Å; Y92-V96 HydrophobicContact CE1-CB 3.92Å; Y92-V96 HydrophobicContact CE1-CG1 4Å; Y92-V96 HydrophobicContact CE2-CB 4.19Å; Y92-V96 HydrophobicContact CE2-CG1 4.29Å; Y92-V96 HydrophobicContact CE2-CG2 4.08Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.14Å; Y92-V96 PolarHBondContact O-N 2.9Å; Y92-S97 WeakPolarHBondContact CD1-OG 3.45Å; Y92-S97 WeakPolarHBondContact CE1-OG 3.43Å; Y92-S97 PolarHBondContact O-N 3.4Å; Y92-V118 HydrophobicContact CD2-CB 4.45Å; Y92-V118 HydrophobicContact CD2-CG1 4.06Å; Y92-V118 HydrophobicContact CG-CG1 4.45Å; Y92-L182 HydrophobicContact CD2-CD2 4.27Å; Y92-L182 HydrophobicContact CE1-CD2 4.14Å; Y92-L182 HydrophobicContact CE2-CD2 3.68Å; Y92-L182 HydrophobicContact CE2-CG 4.14Å; Y92-L182 WeakPolarHBondContact OH-CG 3.46Å; Y92-S183 WeakPolarHBondContact OH-CA 3.28Å; Y92-S183 PolarHBondContact OH-N 3.47Å; Y92-H186 AromaticContact CE1-CE1 3.46Å; Y92-H186 VanDerWaalsContact CE1-CE1 3.46Å; Y92-H186 WeakPolarHBondContact CE1-CE1 3.36Å; Y92-H186 AromaticContact CE1-ND1 3.38Å; Y92-H186 WeakPolarHBondContact CE1-ND1 3.15Å; Y92-H186 AromaticContact CZ-CE1 3.93Å; Y92-H186 AromaticContact CZ-ND1 3.66Å; Y92-H186 PolarHBondContact OH-ND1 3.14Å
93N94.6Very high92.4Very high53 Ų5342.7 Ų42.728%0.28324%0.244SC..Iπ-helixtrans-63.3-39.5179.3-78-38.9000112.9V89 A90 M91 S97 K98V89-N93 WeakPolarHBondContact O-CB 3.27Å; V89-N93 PolarHBondContact O-N 2.93Å; V89-N93 PolarHBondContact O-ND2 3.08Å; V89-N93 VanDerWaalsContact O-ND2 3.08Å; A90-N93 PolarHBondContact O-N 3.3Å; M91-N93 PolarHBondContact O-N 3.47Å; N93-S97 PolarHBondContact OD1-OG 2.7Å; N93-S97 VanDerWaalsContact OD1-OG 3.07Å; N93-K98 WeakPolarHBondContact O-CB 3.42Å; N93-K98 VanDerWaalsContact O-CG 3.32Å; N93-K98 WeakPolarHBondContact O-CG 3.47Å; N93-K98 PolarHBondContact O-N 2.84Å
94V94.4Very high91.5Very high96 Ų9644.9 Ų44.958%0.58226%0.256SS*.Iπ-helixtrans-77-38-179.3173.50000112.1A90 M91 Y92 P99A90-V94 WeakPolarHBondContact O-CG2 3.25Å; A90-V94 PolarHBondContact O-N 2.87Å; M91-V94 PolarHBondContact O-N 2.89Å; Y92-V94 VanDerWaalsContact C-N 3.35Å; Y92-V94 PolarHBondContact O-N 3.29Å; V94-P99 VanDerWaalsContact O-CD 3.27Å; V94-P99 WeakPolarHBondContact O-CD 3.42Å; V94-P99 VanDerWaalsContact O-CG 3.31Å; V94-P99 WeakPolarHBondContact O-CG 3.37Å
95A94.1Very high90.7Very high29 Ų2945 Ų4524%0.2426%0.257CS..Iπ-helixtrans-87.2-30.3-175.200000113.6M91 Y92 R114 V118M91-A95 WeakPolarHBondContact O-CB 3.38Å; M91-A95 PolarHBondContact O-N 3.46Å; Y92-A95 PolarHBondContact O-N 2.92Å; A95-R114 WeakPolarHBondContact O-CD 3.31Å; A95-R114 PolarHBondContact O-NH1 3.33Å; A95-V118 HydrophobicContact CB-CG2 3.84Å
96V93.6Very high89.9Confident0 Ų046.1 Ų46.10%027%0.266CS..Iπ-helixtrans-119.9-65.5-172.1-174.10000111.5Y92 K98 P99 L100 V111 R114Y92-V96 HydrophobicContact CD1-CB 4.25Å; Y92-V96 HydrophobicContact CD2-CB 4.47Å; Y92-V96 HydrophobicContact CD2-CG2 4.25Å; Y92-V96 HydrophobicContact CE1-CB 3.92Å; Y92-V96 HydrophobicContact CE1-CG1 4Å; Y92-V96 HydrophobicContact CE2-CB 4.19Å; Y92-V96 HydrophobicContact CE2-CG1 4.29Å; Y92-V96 HydrophobicContact CE2-CG2 4.08Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 WeakPolarHBondContact O-CB 3.14Å; Y92-V96 PolarHBondContact O-N 2.9Å; V96-K98 PolarHBondContact O-N 3.44Å; V96-P99 WeakPolarHBondContact O-CD 3.47Å; V96-L100 WeakPolarHBondContact O-CB 3.2Å; V96-L100 PolarHBondContact O-N 3.46Å; V96-L100 VanDerWaalsContact O-N 3.08Å; V96-V111 HydrophobicContact CG1-CG1 4.18Å; V96-R114 HydrophobicContact CG2-CB 3.98Å
97S89.9Confident89.5Confident6 Ų644.1 Ų44.14%0.04226%0.26CS..Iπ-helixtrans-61.4-49-168.8-440000113.4Y92 N93 L101Y92-S97 WeakPolarHBondContact CD1-OG 3.45Å; Y92-S97 WeakPolarHBondContact CE1-OG 3.43Å; Y92-S97 PolarHBondContact O-N 3.4Å; N93-S97 PolarHBondContact OD1-OG 2.7Å; N93-S97 VanDerWaalsContact OD1-OG 3.07Å; S97-L101 WeakPolarHBondContact O-CG 3.45Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å
98K89Confident89.2Confident138 Ų13845.3 Ų45.360%0.627%0.268SS*.Hα-helixtrans-67.5-50.1-177.7-72.1177.4178.7-175.40112.7N93 V96 L100 L101 S102N93-K98 WeakPolarHBondContact O-CB 3.42Å; N93-K98 VanDerWaalsContact O-CG 3.32Å; N93-K98 WeakPolarHBondContact O-CG 3.47Å; N93-K98 PolarHBondContact O-N 2.84Å; V96-K98 PolarHBondContact O-N 3.44Å; K98-L100 PolarHBondContact O-N 3.4Å; K98-L101 PolarHBondContact O-N 3.41Å; K98-S102 PolarHBondContact O-N 3.29Å; K98-S102 PolarHBondContact O-OG 2.99Å
99P87.6Confident89Confident17 Ų1749.9 Ų49.911%0.1130%0.296CS..Hα-helixtrans-61-31.8177.3-26.336.7000113.6V94 V96 S102 G103 D104 L105V94-P99 VanDerWaalsContact O-CD 3.27Å; V94-P99 WeakPolarHBondContact O-CD 3.42Å; V94-P99 VanDerWaalsContact O-CG 3.31Å; V94-P99 WeakPolarHBondContact O-CG 3.37Å; V96-P99 WeakPolarHBondContact O-CD 3.47Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; P99-S102 PolarHBondContact O-OG 3.47Å; P99-G103 PolarHBondContact O-N 3.08Å; P99-D104 PolarHBondContact O-N 3.38Å; P99-L105 HydrophobicContact CB-CB 3.79Å; P99-L105 HydrophobicContact CB-CD2 4.2Å; P99-L105 PolarHBondContact O-N 2.89Å; P99-L105 VanDerWaalsContact O-N 3.1Å
100L86.3Confident88.8Confident0 Ų051 Ų510%030%0.304CS..Hα-helixtrans-68.1-50.6176.6-170.464.3000110.8F41 V96 K98 S102 G103 L105 V111 H186 F187 Y190F41-L100 HydrophobicContact CE2-CD2 4.31Å; V96-L100 WeakPolarHBondContact O-CB 3.2Å; V96-L100 PolarHBondContact O-N 3.46Å; V96-L100 VanDerWaalsContact O-N 3.08Å; K98-L100 PolarHBondContact O-N 3.4Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.89Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-G103 VanDerWaalsContact O-N 3.08Å; L100-L105 WeakPolarHBondContact CD1-O 3.42Å; L100-V111 HydrophobicContact CD1-CG2 4.11Å; L100-H186 HydrophobicContact CD2-CB 3.84Å; L100-H186 WeakPolarHBondContact CD2-O 3.26Å; L100-F187 HydrophobicContact CD1-CD2 3.94Å; L100-Y190 HydrophobicContact CD1-CD1 3.62Å; L100-Y190 HydrophobicContact CD1-CD2 4.2Å; L100-Y190 HydrophobicContact CD1-CE1 4.17Å; L100-Y190 HydrophobicContact CD1-CG 3.63Å; L100-Y190 HydrophobicContact CD2-CG 4.45Å; L100-Y190 HydrophobicContact CG-CD1 4.28Å; L100-Y190 HydrophobicContact CG-CD2 3.98Å; L100-Y190 HydrophobicContact CG-CG 3.76Å; L100-Y190 WeakPolarHBondContact O-CD2 3.26Å; L100-Y190 WeakPolarHBondContact O-CE2 3.4Å
101L82.3Confident88.7Confident57 Ų5748.4 Ų48.430%0.29828%0.283SS..Hα-helixtrans-65.9-29.7177.5-70.3175.1000113.9M26 F41 S97 K98 G103M26-L101 WeakPolarHBondContact CE-O 3.46Å; F41-L101 HydrophobicContact CE1-CD1 3.66Å; F41-L101 HydrophobicContact CE1-CD2 4.11Å; F41-L101 HydrophobicContact CE1-CG 4.03Å; F41-L101 HydrophobicContact CE2-CD2 4.32Å; F41-L101 HydrophobicContact CZ-CD1 3.73Å; F41-L101 HydrophobicContact CZ-CD2 3.68Å; F41-L101 HydrophobicContact CZ-CG 3.57Å; S97-L101 WeakPolarHBondContact O-CG 3.45Å; S97-L101 PolarHBondContact O-N 3.01Å; S97-L101 VanDerWaalsContact O-N 3.09Å; K98-L101 PolarHBondContact O-N 3.41Å; L101-G103 PolarHBondContact O-N 3.45Å
102S80.5Confident88.7Confident61 Ų6148.1 Ų48.143%0.42728%0.282SS..THydrogen-bonded Turntrans-78.4-2.6175.865.50000113.3K98 P99 L100 D104K98-S102 PolarHBondContact O-N 3.29Å; K98-S102 PolarHBondContact O-OG 2.99Å; P99-S102 WeakPolarHBondContact CA-OG 3.39Å; P99-S102 PolarHBondContact O-OG 3.47Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.89Å; S102-D104 PolarHBondContact O-N 3.48Å
103G77.9Confident88.7Confident21 Ų2152.5 Ų52.522%0.21631%0.305CS..THydrogen-bonded Turntrans64.821.2-175.400000114P99 L100 L101 N106 Y190P99-G103 PolarHBondContact O-N 3.08Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-G103 VanDerWaalsContact O-N 3.08Å; L101-G103 PolarHBondContact O-N 3.45Å; G103-N106 PolarHBondContact O-ND2 2.9Å; G103-Y190 WeakPolarHBondContact CA-OH 3.3Å
104D78.6Confident88.8Confident117 Ų11754.5 Ų54.563%0.62631%0.308SS*.SBendtrans-86.2-17.5175.8-167.448.1000111.1P99 S102P99-D104 PolarHBondContact O-N 3.38Å; S102-D104 PolarHBondContact O-N 3.48Å
105L79.8Confident88.9Confident3 Ų349.9 Ų49.92%0.01628%0.281CS..  trans-121.682.3-176.7-166.965.1000111.4P99 L100 C110 V111P99-L105 HydrophobicContact CB-CB 3.79Å; P99-L105 HydrophobicContact CB-CD2 4.2Å; P99-L105 PolarHBondContact O-N 2.89Å; P99-L105 VanDerWaalsContact O-N 3.1Å; L100-L105 WeakPolarHBondContact CD1-O 3.42Å; L105-C110 HydrophobicContact CD1-CB 3.77Å; L105-V111 HydrophobicContact CD2-CB 4.44Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å; L105-V111 HydrophobicContact CG-CG2 3.59Å
106N80.6Confident89Confident89 Ų8949.4 Ų49.448%0.47628%0.277SS..  trans-103.3-2.3-176.7-58.2-46.9000114.6G103 Y190G103-N106 PolarHBondContact O-ND2 2.9Å; N106-Y190 WeakPolarHBondContact OD1-CE1 3.34Å; N106-Y190 PolarHBondContact OD1-OH 3.09Å
107C89.8Confident89.2Confident54 Ų5454.1 Ų54.137%0.36530%0.302SS..  trans-91122.7179.739.80000111.6T109 C110 V111C107-T109 PolarHBondContact O-N 3.44Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 WeakPolarHBondContact CB-SG 3.13Å; C107-C110 WeakPolarHBondContact O-CB 3.26Å; C107-C110 PolarHBondContact O-N 3.14Å; C107-C110 VanDerWaalsContact O-N 3.13Å; C107-C110 WeakPolarHBondContact SG-CB 2.96Å; C107-C110 CovalentContact SG-SG 2.03Å; C107-C110 PolarHBondContact SG-SG 3.02Å; C107-V111 PolarHBondContact O-N 3.4Å; C107-V111 VanDerWaalsContact O-N 3.16Å
108P90.4Very high89.5Confident66 Ų6654.1 Ų54.143%0.42930%0.301SS..Hα-helixtrans-58.4-47.3-176.420.6-31.5000111.6C110 V111 L112 F187P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 PolarHBondContact O-N 3.3Å; P108-V111 PolarHBondContact O-N 3.41Å; P108-L112 VanDerWaalsContact O-CD1 3.23Å; P108-L112 WeakPolarHBondContact O-CD1 3.45Å; P108-L112 PolarHBondContact O-N 3.2Å; P108-F187 HydrophobicContact CB-CD1 4.18Å; P108-F187 HydrophobicContact CB-CE1 3.69Å; P108-F187 HydrophobicContact CB-CZ 4Å; P108-F187 HydrophobicContact CG-CE1 4.45Å; P108-F187 HydrophobicContact CG-CZ 4.48Å
109T92.9Very high89.9Confident96 Ų9647.5 Ų47.559%0.58927%0.272SS*.Hα-helixtrans-61.1-36.9179.8-44.10000112.3C107 L112 I113C107-T109 PolarHBondContact O-N 3.44Å; T109-L112 PolarHBondContact O-N 2.92Å; T109-I113 HydrophobicContact CG2-CD1 3.84Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CB 3.22Å; T109-I113 VanDerWaalsContact O-CG1 3.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 3.09Å
110C93.8Very high90.3Very high47 Ų4747.6 Ų47.632%0.31827%0.274SS..Hα-helixtrans-67-42.7178.6-50.60000111.7L105 C107 P108 L112 I113 R114L105-C110 HydrophobicContact CD1-CB 3.77Å; C107-C110 HydrophobicContact CB-CB 3.97Å; C107-C110 WeakPolarHBondContact CB-SG 3.13Å; C107-C110 WeakPolarHBondContact O-CB 3.26Å; C107-C110 PolarHBondContact O-N 3.14Å; C107-C110 VanDerWaalsContact O-N 3.13Å; C107-C110 WeakPolarHBondContact SG-CB 2.96Å; C107-C110 CovalentContact SG-SG 2.03Å; C107-C110 PolarHBondContact SG-SG 3.02Å; P108-C110 VanDerWaalsContact C-N 3.28Å; P108-C110 PolarHBondContact O-N 3.3Å; C110-L112 VanDerWaalsContact C-N 3.35Å; C110-I113 PolarHBondContact O-N 2.82Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 VanDerWaalsContact O-CG 3.26Å; C110-R114 WeakPolarHBondContact O-CG 3.37Å; C110-R114 PolarHBondContact O-N 2.94Å
111V94.3Very high90.8Very high0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-61.2-47.2177.1176.70000110V96 L100 L105 C107 P108 R114 G115 S183 F187V96-V111 HydrophobicContact CG1-CG1 4.18Å; L100-V111 HydrophobicContact CD1-CG2 4.11Å; L105-V111 HydrophobicContact CD2-CB 4.44Å; L105-V111 HydrophobicContact CD2-CG2 3.63Å; L105-V111 HydrophobicContact CG-CG2 3.59Å; C107-V111 PolarHBondContact O-N 3.4Å; C107-V111 VanDerWaalsContact O-N 3.16Å; P108-V111 PolarHBondContact O-N 3.41Å; V111-R114 PolarHBondContact O-N 3.1Å; V111-G115 PolarHBondContact O-N 2.83Å; V111-S183 WeakPolarHBondContact CG1-O 3.29Å; V111-S183 WeakPolarHBondContact O-CB 3.41Å; V111-S183 PolarHBondContact O-OG 3Å; V111-F187 HydrophobicContact CB-CD2 4.44Å; V111-F187 HydrophobicContact CG1-CB 4.15Å; V111-F187 HydrophobicContact CG2-CD2 3.84Å; V111-F187 HydrophobicContact CG2-CE2 4.41Å
112L95.8Very high91.3Very high60 Ų6048 Ų4831%0.31428%0.279SS..Hα-helixtrans-59.6-48.6177.7-91.467.7000112.2P108 T109 C110 R114 G115 A116 T180 S183P108-L112 VanDerWaalsContact O-CD1 3.23Å; P108-L112 WeakPolarHBondContact O-CD1 3.45Å; P108-L112 PolarHBondContact O-N 3.2Å; T109-L112 PolarHBondContact O-N 2.92Å; C110-L112 VanDerWaalsContact C-N 3.35Å; L112-R114 PolarHBondContact O-N 2.9Å; L112-G115 PolarHBondContact O-N 3.43Å; L112-A116 VanDerWaalsContact O-CB 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 3.07Å; L112-T180 HydrophobicContact CB-CG2 4.25Å; L112-T180 HydrophobicContact CD2-CG2 4.13Å; L112-T180 HydrophobicContact CG-CG2 3.95Å; L112-S183 WeakPolarHBondContact CA-OG 3.27Å
113I96.7Very high91.9Very high93 Ų9345.1 Ų45.148%0.47726%0.259SS..Hα-helixtrans-63.6-42.5178.9-69.3169.2000110.8T109 C110 A116 L117T109-I113 HydrophobicContact CG2-CD1 3.84Å; T109-I113 HydrophobicContact CG2-CG1 4.43Å; T109-I113 WeakPolarHBondContact O-CB 3.22Å; T109-I113 VanDerWaalsContact O-CG1 3.23Å; T109-I113 WeakPolarHBondContact O-CG1 3.31Å; T109-I113 PolarHBondContact O-N 3.09Å; C110-I113 PolarHBondContact O-N 2.82Å; I113-A116 PolarHBondContact O-N 3.42Å; I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.28Å
114R96.2Very high92.7Very high94 Ų9444.1 Ų44.136%0.35525%0.249SC..Hα-helixtrans-64.2-43177.4-73-174.2-173.2-170.83.3111.5A95 V96 C110 V111 L112 L117 V118A95-R114 WeakPolarHBondContact O-CD 3.31Å; A95-R114 PolarHBondContact O-NH1 3.33Å; V96-R114 HydrophobicContact CG2-CB 3.98Å; C110-R114 WeakPolarHBondContact O-CB 3.29Å; C110-R114 VanDerWaalsContact O-CG 3.26Å; C110-R114 WeakPolarHBondContact O-CG 3.37Å; C110-R114 PolarHBondContact O-N 2.94Å; V111-R114 PolarHBondContact O-N 3.1Å; L112-R114 PolarHBondContact O-N 2.9Å; R114-L117 PolarHBondContact O-N 3.45Å; R114-V118 VanDerWaalsContact O-CG2 3.28Å; R114-V118 WeakPolarHBondContact O-CG2 3.21Å; R114-V118 PolarHBondContact O-N 3.21Å
115G96.1Very high93.6Very high0 Ų041.4 Ų41.40%024%0.236CC..Hα-helixtrans-60.1-47.4174.200000112.6V111 L112 L117 V118 G119 G179V111-G115 PolarHBondContact O-N 2.83Å; L112-G115 PolarHBondContact O-N 3.43Å; G115-L117 PolarHBondContact O-N 3.48Å; G115-V118 PolarHBondContact O-N 2.87Å; G115-G119 PolarHBondContact O-N 2.86Å; G115-G179 CarbonylContact C-O 3.58Å; G115-G179 CarbonylContact O-C 3.59Å; G115-G179 WeakPolarHBondContact O-CA 3.4Å
116A97.3Very high94.3Very high19 Ų1944.3 Ų44.316%0.15725%0.247CC..Hα-helixtrans-57.5-46.4175.300000112.2L112 I113 G119 A120 V176 T180L112-A116 VanDerWaalsContact O-CB 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 3.07Å; I113-A116 PolarHBondContact O-N 3.42Å; A116-G119 PolarHBondContact O-N 3.08Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.49Å; A116-V176 HydrophobicContact CB-CG1 4.23Å; A116-T180 WeakPolarHBondContact CB-OG1 3.33Å
117L97.6Very high95Very high99 Ų9940 Ų4052%0.51823%0.225SC..Hα-helixtrans-64.7-41.9178.8-77.1171.6000112.1I113 R114 G115 G119 A120 V121I113-L117 HydrophobicContact CG2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CG 4.3Å; I113-L117 WeakPolarHBondContact O-CB 3.44Å; I113-L117 VanDerWaalsContact O-CG 3.27Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.28Å; R114-L117 PolarHBondContact O-N 3.45Å; G115-L117 PolarHBondContact O-N 3.48Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-A120 PolarHBondContact O-N 2.87Å; L117-V121 VanDerWaalsContact O-CB 3.32Å; L117-V121 WeakPolarHBondContact O-CB 3.45Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 2.87Å
118V96.8Very high95.3Very high5 Ų537.7 Ų37.73%0.0321%0.208CC..Hα-helixtrans-62.8-43.3175.6171.70000110.8L48 M91 Y92 A95 R114 G115 G122 A123L48-V118 HydrophobicContact CD2-CG1 4.15Å; M91-V118 HydrophobicContact CB-CG1 4.01Å; M91-V118 HydrophobicContact CB-CG2 4.41Å; Y92-V118 HydrophobicContact CD2-CB 4.45Å; Y92-V118 HydrophobicContact CD2-CG1 4.06Å; Y92-V118 HydrophobicContact CG-CG1 4.45Å; A95-V118 HydrophobicContact CB-CG2 3.84Å; R114-V118 VanDerWaalsContact O-CG2 3.28Å; R114-V118 WeakPolarHBondContact O-CG2 3.21Å; R114-V118 PolarHBondContact O-N 3.21Å; G115-V118 PolarHBondContact O-N 2.87Å; V118-G122 WeakPolarHBondContact O-CA 3.39Å; V118-G122 PolarHBondContact O-N 3.18Å; V118-A123 PolarHBondContact O-N 3.46Å
119G95.9Very high95.6Very high0 Ų040.1 Ų40.10%022%0.217CC..Iπ-helixtrans-60.3-51173.800000112.1G115 A116 L117 V121 A123 G124 Q175G115-G119 PolarHBondContact O-N 2.86Å; A116-G119 PolarHBondContact O-N 3.08Å; L117-G119 VanDerWaalsContact C-N 3.34Å; G119-V121 PolarHBondContact O-N 3.48Å; G119-A123 CarbonylContact O-C 3.59Å; G119-A123 WeakPolarHBondContact O-CB 3.31Å; G119-A123 PolarHBondContact O-N 3.45Å; G119-G124 PolarHBondContact O-N 3.13Å; G119-G124 VanDerWaalsContact O-N 3.1Å; G119-Q175 VanDerWaalsContact O-CB 3.26Å; G119-Q175 WeakPolarHBondContact O-CB 3.34Å
120A97.1Very high95.7Very high18 Ų1837 Ų3715%0.14920%0.197CC..Iπ-helixtrans-58.8-51.1179.700000112.4A116 L117 G124 V125 V176A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.49Å; L117-A120 PolarHBondContact O-N 2.87Å; A120-G124 CarbonylContact O-C 3.55Å; A120-G124 WeakPolarHBondContact O-CA 3.42Å; A120-G124 PolarHBondContact O-N 3.46Å; A120-V125 WeakPolarHBondContact O-CG2 3.25Å; A120-V125 PolarHBondContact O-N 3.3Å; A120-V176 HydrophobicContact CB-CG2 3.67Å
121V96.2Very high95.8Very high67 Ų6734.8 Ų34.841%0.40618%0.182SC..Iπ-helixtrans-83.7-56.2-171.4179.10000110.8M91 L117 G119 V125 Y126M91-V121 HydrophobicContact CE-CB 4.37Å; M91-V121 HydrophobicContact CE-CG1 4.1Å; L117-V121 VanDerWaalsContact O-CB 3.32Å; L117-V121 WeakPolarHBondContact O-CB 3.45Å; L117-V121 WeakPolarHBondContact O-CG2 3.35Å; L117-V121 PolarHBondContact O-N 2.87Å; G119-V121 PolarHBondContact O-N 3.48Å; V121-V125 PolarHBondContact O-N 2.99Å; V121-Y126 WeakPolarHBondContact O-CB 3Å; V121-Y126 PolarHBondContact O-N 2.69Å
122G93.8Very high95.8Very high0 Ų037 Ų370%019%0.193CC..Iπ-helixtrans-70-46.3-174.200000113T88 V118 P127T88-G122 PolarHBondContact OG1-O 3.22Å; T88-G122 VanDerWaalsContact OG1-O 3.13Å; V118-G122 WeakPolarHBondContact O-CA 3.39Å; V118-G122 PolarHBondContact O-N 3.18Å; G122-P127 WeakPolarHBondContact O-CD 3.32Å
123A93.4Very high95.7Very high0 Ų037.6 Ų37.60%020%0.201CC..Iπ-helixtrans-95.1-16-177.100000114A55 T88 V118 G119 P127 Q175A55-A123 WeakPolarHBondContact CB-O 3.28Å; T88-A123 HydrophobicContact CG2-CB 4.01Å; T88-A123 PolarHBondContact OG1-N 2.83Å; V118-A123 PolarHBondContact O-N 3.46Å; G119-A123 CarbonylContact O-C 3.59Å; G119-A123 WeakPolarHBondContact O-CB 3.31Å; G119-A123 PolarHBondContact O-N 3.45Å; A123-P127 WeakPolarHBondContact O-CG 3.37Å; A123-Q175 HydrophobicContact CB-CB 4.17Å; A123-Q175 HydrophobicContact CB-CG 3.79Å
124G94.2Very high95.6Very high0 Ų035 Ų350%019%0.189CC..Iπ-helixtrans-107.4-71.1-177.200000113.8G119 A120 P127 I128G119-G124 PolarHBondContact O-N 3.13Å; G119-G124 VanDerWaalsContact O-N 3.1Å; A120-G124 CarbonylContact O-C 3.55Å; A120-G124 WeakPolarHBondContact O-CA 3.42Å; A120-G124 PolarHBondContact O-N 3.46Å; G124-P127 WeakPolarHBondContact O-CD 3.37Å; G124-P127 WeakPolarHBondContact O-CG 3.28Å; G124-I128 WeakPolarHBondContact O-CG1 3.26Å
125V96.1Very high95.6Very high59 Ų5930.5 Ų30.536%0.35817%0.172SC..Iπ-helixtrans-73.4-44.6-171.5175.60000112.1A120 V121 I128 L129 I172A120-V125 WeakPolarHBondContact O-CG2 3.25Å; A120-V125 PolarHBondContact O-N 3.3Å; V121-V125 PolarHBondContact O-N 2.99Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.32Å; V125-I128 VanDerWaalsContact O-N 3.07Å; V125-L129 HydrophobicContact CG1-CD1 3.91Å; V125-L129 HydrophobicContact CG1-CG 4.15Å; V125-L129 PolarHBondContact O-N 3.32Å; V125-L129 VanDerWaalsContact O-N 3.09Å; V125-I172 HydrophobicContact CG2-CD1 4.36Å
126Y95.8Very high95.4Very high64 Ų6431.1 Ų31.125%0.25118%0.177SC..Hα-helixtrans-53.7-49.6-179.7172.7-106.7000113.1P84 T87 V121 I128 L129 L130P84-Y126 HydrophobicContact CB-CD1 4.25Å; P84-Y126 HydrophobicContact CB-CE1 4.33Å; P84-Y126 HydrophobicContact CG-CD1 4.28Å; P84-Y126 HydrophobicContact CG-CE1 4.11Å; T87-Y126 HydrophobicContact CG2-CD1 4.19Å; T87-Y126 HydrophobicContact CG2-CE1 4.03Å; V121-Y126 WeakPolarHBondContact O-CB 3Å; V121-Y126 PolarHBondContact O-N 2.69Å; Y126-I128 PolarHBondContact O-N 3.18Å; Y126-L129 PolarHBondContact O-N 3.43Å; Y126-L130 HydrophobicContact CE1-CD2 3.98Å; Y126-L130 VanDerWaalsContact O-CB 3.29Å; Y126-L130 WeakPolarHBondContact O-CB 3.35Å; Y126-L130 PolarHBondContact O-N 3.3Å
127P95.6Very high95.2Very high0 Ų032.1 Ų32.10%019%0.189CC..Hα-helixtrans-59.8-30.3177.33.2-11.5000114.4A55 P84 G122 A123 G124 A131A55-P127 HydrophobicContact CB-CG 3.96Å; P84-P127 HydrophobicContact CB-CB 4.27Å; P84-P127 HydrophobicContact CB-CG 4.28Å; P84-P127 HydrophobicContact CG-CB 4.02Å; G122-P127 WeakPolarHBondContact O-CD 3.32Å; A123-P127 WeakPolarHBondContact O-CG 3.37Å; G124-P127 WeakPolarHBondContact O-CD 3.37Å; G124-P127 WeakPolarHBondContact O-CG 3.28Å; P127-A131 VanDerWaalsContact O-CB 3.25Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.47Å
128I96Very high95Very high4 Ų428.1 Ų28.12%0.02117%0.168CC..Hα-helixtrans-70.6-46.3176.4-56.7170.6000110.6A59 Y63 G124 V125 Y126 L130 A131 L132 L165 M168 I172A59-I128 HydrophobicContact CB-CG1 4.43Å; Y63-I128 HydrophobicContact CE2-CG2 4.14Å; G124-I128 WeakPolarHBondContact O-CG1 3.26Å; V125-I128 WeakPolarHBondContact O-CB 3.48Å; V125-I128 PolarHBondContact O-N 3.32Å; V125-I128 VanDerWaalsContact O-N 3.07Å; Y126-I128 PolarHBondContact O-N 3.18Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.86Å; I128-A131 PolarHBondContact O-N 3.46Å; I128-L132 PolarHBondContact O-N 3Å; I128-L165 HydrophobicContact CD1-CD2 3.94Å; I128-L165 HydrophobicContact CG2-CD2 3.94Å; I128-M168 HydrophobicContact CD1-CB 3.53Å; I128-M168 HydrophobicContact CD1-CE 4.15Å; I128-M168 HydrophobicContact CD1-CG 3.89Å; I128-M168 HydrophobicContact CG1-CB 4.24Å; I128-M168 HydrophobicContact CG1-CE 3.87Å; I128-M168 HydrophobicContact CG1-CG 4.03Å; I128-I172 HydrophobicContact CD1-CD1 3.95Å
129L95.6Very high94.8Very high117 Ų11728 Ų2861%0.61317%0.167SC*.Hα-helixtrans-64.7-36.7178.1-67.3179.7000111.7V125 Y126 P133V125-L129 HydrophobicContact CG1-CD1 3.91Å; V125-L129 HydrophobicContact CG1-CG 4.15Å; V125-L129 PolarHBondContact O-N 3.32Å; V125-L129 VanDerWaalsContact O-N 3.09Å; Y126-L129 PolarHBondContact O-N 3.43Å; L129-P133 WeakPolarHBondContact O-CD 3.43Å
130L95.6Very high94.7Very high32 Ų3231.5 Ų31.517%0.16819%0.189CC..Hα-helixtrans-73.1-37.6179-174.768.3000112.2M80 L83 P84 Y126 I128 L132 P133 V134M80-L130 HydrophobicContact CE-CD1 4.27Å; M80-L130 HydrophobicContact CE-CD2 3.33Å; M80-L130 HydrophobicContact CE-CG 3.45Å; M80-L130 VanDerWaalsContact CE-CG 3.45Å; M80-L130 HydrophobicContact SD-CB 4.32Å; M80-L130 HydrophobicContact SD-CD2 3.86Å; M80-L130 HydrophobicContact SD-CG 3.76Å; L83-L130 HydrophobicContact CB-CD2 3.87Å; L83-L130 HydrophobicContact CD1-CD1 4.44Å; L83-L130 HydrophobicContact CD1-CD2 4.09Å; P84-L130 HydrophobicContact CG-CD2 4.03Å; Y126-L130 HydrophobicContact CE1-CD2 3.98Å; Y126-L130 VanDerWaalsContact O-CB 3.29Å; Y126-L130 WeakPolarHBondContact O-CB 3.35Å; Y126-L130 PolarHBondContact O-N 3.3Å; I128-L130 VanDerWaalsContact C-N 3.29Å; I128-L130 PolarHBondContact O-N 2.86Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.78Å; L130-P133 VanDerWaalsContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CD 3.3Å; L130-P133 WeakPolarHBondContact O-CG 3.15Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å
131A95.6Very high94.5Very high0 Ų039.4 Ų39.40%022%0.215CC..Hα-helixtrans-66.8-28.9179.800000113.1A59 Y63 M80 P127 I128 N135A59-A131 HydrophobicContact CB-CB 4.01Å; Y63-A131 HydrophobicContact CD2-CB 3.55Å; Y63-A131 HydrophobicContact CE2-CB 3.96Å; Y63-A131 HydrophobicContact CG-CB 4.47Å; M80-A131 HydrophobicContact SD-CB 4.25Å; P127-A131 VanDerWaalsContact O-CB 3.25Å; P127-A131 WeakPolarHBondContact O-CB 3.37Å; P127-A131 PolarHBondContact O-N 3.47Å; I128-A131 PolarHBondContact O-N 3.46Å; A131-N135 WeakPolarHBondContact O-CB 3.5Å; A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.11Å
132L94.7Very high94.3Very high45 Ų4540.6 Ų40.624%0.23621%0.213CC..Hα-helixtrans-60.8-60.1-179.4-174.2144.4000113.1Y63 I128 L130 V134 N135 A136 W157 T161Y63-L132 HydrophobicContact CE1-CB 4.2Å; Y63-L132 HydrophobicContact CE1-CD1 4.12Å; Y63-L132 HydrophobicContact CE1-CG 4.29Å; I128-L132 PolarHBondContact O-N 3Å; L130-L132 VanDerWaalsContact C-N 3.29Å; L130-L132 PolarHBondContact O-N 2.78Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; L132-N135 PolarHBondContact O-N 2.94Å; L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 2.84Å; L132-W157 HydrophobicContact CD1-CE3 3.95Å; L132-W157 HydrophobicContact CD2-CD2 4.33Å; L132-W157 HydrophobicContact CD2-CE3 4.14Å; L132-W157 HydrophobicContact CG-CE3 3.87Å; L132-W157 HydrophobicContact CG-CZ3 4.19Å; L132-T161 VanDerWaalsContact CD1-OG1 3.3Å; L132-T161 WeakPolarHBondContact CD1-OG1 3.22Å
133P93.8Very high94.2Very high73 Ų7347.6 Ų47.647%0.47425%0.25SS..Hα-helixtrans-65.1-33.7179.726-34.5000112.6L129 L130 A136 G137L129-P133 WeakPolarHBondContact O-CD 3.43Å; L130-P133 VanDerWaalsContact O-CD 3.31Å; L130-P133 WeakPolarHBondContact O-CD 3.3Å; L130-P133 WeakPolarHBondContact O-CG 3.15Å; P133-A136 PolarHBondContact O-N 2.96Å; P133-G137 PolarHBondContact O-N 2.92Å
134V94.9Very high94.1Very high38 Ų3849.3 Ų49.323%0.2326%0.261CS..Hα-helixtrans-62.2-47.3177.4170.20000111.1M80 L130 L132 L138M80-V134 HydrophobicContact CE-CB 4.47Å; M80-V134 HydrophobicContact CE-CG2 3.68Å; M80-V134 HydrophobicContact SD-CB 4.42Å; M80-V134 HydrophobicContact SD-CG2 4.15Å; L130-V134 WeakPolarHBondContact O-CG2 3.46Å; L132-V134 VanDerWaalsContact C-N 3.32Å; L132-V134 PolarHBondContact O-N 3.26Å; V134-L138 HydrophobicContact CG1-CD1 4.5Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 2.98Å; V134-L138 VanDerWaalsContact O-N 3.14Å
135N94.7Very high93.8Very high0 Ų050.6 Ų50.60%027%0.269CS..Hα-helixtrans-77.5-30.4-179.5-71.3-70000112.6N60 Y63 R64 L67 A131 L132 L138 A139N60-N135 PolarHBondContact OD1-ND2 2.63Å; N60-N135 PolarHBondContact OD1-OD1 3.47Å; Y63-N135 WeakPolarHBondContact CB-ND2 3.38Å; R64-N135 WeakPolarHBondContact CG-OD1 3.44Å; L67-N135 HydrophobicContact CD1-CB 3.85Å; A131-N135 WeakPolarHBondContact O-CB 3.5Å; A131-N135 PolarHBondContact O-N 3.06Å; A131-N135 PolarHBondContact O-ND2 3.11Å; L132-N135 PolarHBondContact O-N 2.94Å; N135-L138 PolarHBondContact O-N 2.99Å; N135-A139 WeakPolarHBondContact O-CB 3.49Å; N135-A139 PolarHBondContact O-N 3.49Å
136A92.7Very high93.2Very high14 Ų1453.4 Ų53.412%0.11629%0.288CS..Hα-helixtrans-59.4-47169.500000111.9L132 P133 L138 A139 T140 W157L132-A136 VanDerWaalsContact O-CB 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.46Å; L132-A136 PolarHBondContact O-N 2.84Å; P133-A136 PolarHBondContact O-N 2.96Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.37Å; A136-A139 PolarHBondContact O-N 3.08Å; A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.49Å; A136-W157 HydrophobicContact CB-CH2 3.22Å; A136-W157 HydrophobicContact CB-CZ2 3.57Å; A136-W157 HydrophobicContact CB-CZ3 4.1Å
137G93Very high92.6Very high39 Ų3953.7 Ų53.740%0.40229%0.294SS..Hα-helixtrans-62.3-41.5177.800000112.1P133 T140 R141P133-G137 PolarHBondContact O-N 2.92Å; G137-T140 PolarHBondContact O-N 2.9Å; G137-R141 VanDerWaalsContact O-CB 3.3Å; G137-R141 WeakPolarHBondContact O-CB 3.33Å; G137-R141 PolarHBondContact O-N 3.31Å
138L93.5Very high92Very high16 Ų1655.3 Ų55.38%0.08430%0.304CS..Hα-helixtrans-67-42.2175.4-70.1173.3000112.5V69 V134 N135 A136 T140 R141 Y142V69-L138 HydrophobicContact CG1-CB 3.76Å; V69-L138 HydrophobicContact CG1-CD1 4.13Å; V69-L138 HydrophobicContact CG2-CB 4.38Å; V134-L138 HydrophobicContact CG1-CD1 4.5Å; V134-L138 WeakPolarHBondContact O-CG 3.26Å; V134-L138 PolarHBondContact O-N 2.98Å; V134-L138 VanDerWaalsContact O-N 3.14Å; N135-L138 PolarHBondContact O-N 2.99Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.37Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.25Å; L138-R141 PolarHBondContact O-N 3.02Å; L138-Y142 HydrophobicContact CB-CD2 4.48Å; L138-Y142 HydrophobicContact CD2-CD2 4.21Å; L138-Y142 HydrophobicContact CD2-CE2 3.74Å; L138-Y142 WeakPolarHBondContact O-CD2 3.35Å; L138-Y142 PolarHBondContact O-N 3.42Å
139A93.3Very high91.1Very high1 Ų163.5 Ų63.51%0.00834%0.342CS..Hα-helixtrans-61.6-39.8177.600000111.7L67 V69 N135 A136 N143 T144L67-A139 HydrophobicContact CB-CB 4.19Å; L67-A139 HydrophobicContact CD1-CB 4.26Å; V69-A139 HydrophobicContact CG2-CB 4.02Å; N135-A139 WeakPolarHBondContact O-CB 3.49Å; N135-A139 PolarHBondContact O-N 3.49Å; A136-A139 PolarHBondContact O-N 3.08Å; A139-N143 WeakPolarHBondContact O-CA 3.47Å; A139-N143 PolarHBondContact O-N 3.46Å; A139-T144 WeakPolarHBondContact CA-OG1 3.41Å; A139-T144 PolarHBondContact O-N 3.42Å; A139-T144 VanDerWaalsContact O-N 3.1Å
140T92.6Very high90Very high74 Ų7468.2 Ų68.245%0.45436%0.358SS..Hα-helixtrans-65.8-48.9174.3-49.40000111.1A136 G137 L138 Y142 N143 L147A136-T140 PolarHBondContact O-N 3.36Å; A136-T140 PolarHBondContact O-OG1 3.49Å; G137-T140 PolarHBondContact O-N 2.9Å; L138-T140 VanDerWaalsContact C-N 3.28Å; L138-T140 PolarHBondContact O-N 3.25Å; T140-Y142 VanDerWaalsContact C-N 3.32Å; T140-Y142 PolarHBondContact O-N 3.37Å; T140-N143 PolarHBondContact O-N 2.87Å; T140-N143 PolarHBondContact O-OD1 3.42Å; T140-L147 HydrophobicContact CG2-CD1 4.11Å; T140-L147 WeakPolarHBondContact OG1-CD1 3.26Å
141R93.3Very high89Confident184 Ų18470.6 Ų70.669%0.69439%0.39SS*.Hα-helixtrans-62.9-37.3-176.7-177.4176.6-176.8176.81.9113.1G137 L138G137-R141 VanDerWaalsContact O-CB 3.3Å; G137-R141 WeakPolarHBondContact O-CB 3.33Å; G137-R141 PolarHBondContact O-N 3.31Å; L138-R141 PolarHBondContact O-N 3.02Å
142Y93.5Very high88.5Confident93 Ų9374.7 Ų74.737%0.36541%0.412SS..THydrogen-bonded Turntrans-104.47.6-176.2-66-68.7000113.3Q71 L138 T140 T144Q71-Y142 HydrophobicContact CB-CD1 4.01Å; Q71-Y142 HydrophobicContact CB-CD2 3.84Å; Q71-Y142 HydrophobicContact CB-CE1 3.92Å; Q71-Y142 HydrophobicContact CB-CE2 3.74Å; Q71-Y142 HydrophobicContact CB-CG 3.97Å; Q71-Y142 HydrophobicContact CG-CD1 4.03Å; Q71-Y142 HydrophobicContact CG-CD2 4.49Å; Q71-Y142 HydrophobicContact CG-CE1 4.27Å; Q71-Y142 HydrophobicContact CG-CG 4.14Å; L138-Y142 HydrophobicContact CB-CD2 4.48Å; L138-Y142 HydrophobicContact CD2-CD2 4.21Å; L138-Y142 HydrophobicContact CD2-CE2 3.74Å; L138-Y142 WeakPolarHBondContact O-CD2 3.35Å; L138-Y142 PolarHBondContact O-N 3.42Å; T140-Y142 VanDerWaalsContact C-N 3.32Å; T140-Y142 PolarHBondContact O-N 3.37Å; Y142-T144 PolarHBondContact O-N 3.01Å
143N90.7Very high88.2Confident146 Ų14675.2 Ų75.278%0.78142%0.417SS*.THydrogen-bonded Turntrans47.441.8-178.6-67-49.7000113.6A139 T140A139-N143 WeakPolarHBondContact O-CA 3.47Å; A139-N143 PolarHBondContact O-N 3.46Å; T140-N143 PolarHBondContact O-N 2.87Å; T140-N143 PolarHBondContact O-OD1 3.42Å
144T90.9Very high87.9Confident36 Ų3678.8 Ų78.822%0.22143%0.431CS..  trans-83.6-17.9-172.862.20000113.7L67 N68 A139 Y142L67-T144 PolarHBondContact O-OG1 3.19Å; N68-T144 WeakPolarHBondContact O-CB 3.46Å; A139-T144 WeakPolarHBondContact CA-OG1 3.41Å; A139-T144 PolarHBondContact O-N 3.42Å; A139-T144 VanDerWaalsContact O-N 3.1Å; Y142-T144 PolarHBondContact O-N 3.01Å
145T87.9Confident87.6Confident28 Ų2885 Ų8517%0.17245%0.45CS..SBendtrans-150.2135.3179.2-65.80000109.1L67 L147 F156L67-T145 VanDerWaalsContact C-OG1 3.3Å; L67-T145 HydrophobicContact CD2-CG2 4.44Å; L67-T145 PolarHBondContact O-OG1 3.37Å; T145-L147 PolarHBondContact O-N 3.45Å; T145-L147 VanDerWaalsContact O-N 3.15Å; T145-F156 HydrophobicContact CG2-CZ 4.26Å
146P84Confident87.4Confident118 Ų11887 Ų8777%0.76646%0.459SS*.PPolyproline II helixtrans-63.3116.5174.726.1-33.2000109.5
147L83.1Confident87.3Confident70 Ų7088.3 Ų88.337%0.36646%0.461SS..PPolyproline II helixtrans-79.7144.1177.2-73.5140.5000109.8T140 T145 W157T140-L147 HydrophobicContact CG2-CD1 4.11Å; T140-L147 WeakPolarHBondContact OG1-CD1 3.26Å; T145-L147 PolarHBondContact O-N 3.45Å; T145-L147 VanDerWaalsContact O-N 3.15Å; L147-W157 HydrophobicContact CD2-CH2 4.37Å; L147-W157 HydrophobicContact CD2-CZ2 3.91Å
148P83.8Confident87.2Confident33 Ų3392.3 Ų92.321%0.21447%0.471CS..PPolyproline II helixtrans-64.5141.6-177.627.3-37.2000112.3V153 F156P148-V153 HydrophobicContact CB-CG2 4.44Å; P148-V153 HydrophobicContact CG-CB 4.22Å; P148-V153 HydrophobicContact CG-CG1 4.37Å; P148-V153 HydrophobicContact CG-CG2 4.08Å; P148-F156 HydrophobicContact CB-CB 4.14Å; P148-F156 HydrophobicContact CB-CG 4.35Å; P148-F156 HydrophobicContact CG-CB 3.68Å; P148-F156 HydrophobicContact CG-CD1 3.74Å; P148-F156 HydrophobicContact CG-CD2 4.34Å; P148-F156 HydrophobicContact CG-CE1 4.44Å; P148-F156 HydrophobicContact CG-CG 3.68Å
149E76.8Confident87.2Confident177 Ų17796.4 Ų96.483%0.82749%0.493SS*.PPolyproline II helixtrans-66.5162.5167.5-76.2-175.2136.600111.7G151 N152E149-G151 PolarHBondContact O-N 3.13Å; E149-N152 PolarHBondContact O-N 2.9Å; E149-N152 VanDerWaalsContact O-N 3.09Å
150K71.2Confident87.1Confident216 Ų21697.5 Ų97.594%0.93950%0.498SS*.THydrogen-bonded Turntrans-52.1-8.8-162.7-66.2-179.5178.3175.90116.9
151G76.4Confident87.2Confident81 Ų8195 Ų9584%0.83548%0.483SS*.THydrogen-bonded Turntrans-96-22.2178.100000116.7E149E149-G151 PolarHBondContact O-N 3.13Å
152N85.1Confident87.2Confident86 Ų8692 Ų9246%0.4648%0.477SS..SBendtrans-123.315.9-169.1-150.629.3000114.6E149 L154 R155 F156E149-N152 PolarHBondContact O-N 2.9Å; E149-N152 VanDerWaalsContact O-N 3.09Å; N152-L154 PolarHBondContact O-N 3.33Å; N152-R155 PolarHBondContact O-N 3.09Å; N152-R155 WeakPolarHBondContact OD1-CB 3.31Å; N152-F156 WeakPolarHBondContact O-CB 3.27Å; N152-F156 PolarHBondContact O-N 2.68Å; N152-F156 VanDerWaalsContact O-N 3.08Å
153V87.1Confident87.3Confident57 Ų5790.7 Ų90.735%0.34548%0.48SS..Hα-helixtrans-61.5-47-173.5-175.30000112.1P148 R155 F156 W157P148-V153 HydrophobicContact CB-CG2 4.44Å; P148-V153 HydrophobicContact CG-CB 4.22Å; P148-V153 HydrophobicContact CG-CG1 4.37Å; P148-V153 HydrophobicContact CG-CG2 4.08Å; V153-R155 PolarHBondContact O-N 3.08Å; V153-F156 PolarHBondContact O-N 3.22Å; V153-W157 PolarHBondContact O-N 2.89Å; V153-W157 VanDerWaalsContact O-N 3.08Å
154L87Confident87.5Confident148 Ų14884 Ų8478%0.77544%0.444SS*.Hα-helixtrans-63.6-45.1-178.1-173.369.1000111.9N152 F156 W157 M158N152-L154 PolarHBondContact O-N 3.33Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.88Å; L154-W157 PolarHBondContact O-N 2.72Å; L154-M158 WeakPolarHBondContact O-CB 3.25Å; L154-M158 PolarHBondContact O-N 3.49Å
155R89.4Confident87.6Confident168 Ų16886.3 Ų86.363%0.63445%0.454SS*.Hα-helixtrans-64.2-40.2179.4-176.3177.2-77.3-171.8-3.5111.5N152 V153 M158 N159N152-R155 PolarHBondContact O-N 3.09Å; N152-R155 WeakPolarHBondContact OD1-CB 3.31Å; V153-R155 PolarHBondContact O-N 3.08Å; R155-M158 PolarHBondContact O-N 2.86Å; R155-N159 WeakPolarHBondContact O-CB 3.35Å; R155-N159 PolarHBondContact O-N 3.38Å
156F90.4Very high88Confident43 Ų4395.5 Ų95.519%0.18949%0.486CS..Hα-helixtrans-59.5-51.2174.8174.2-96.6000111.9L67 T145 P148 N152 V153 L154 M158 N159 I160L67-F156 HydrophobicContact CD2-CE1 4.42Å; L67-F156 HydrophobicContact CD2-CZ 4.23Å; T145-F156 HydrophobicContact CG2-CZ 4.26Å; P148-F156 HydrophobicContact CB-CB 4.14Å; P148-F156 HydrophobicContact CB-CG 4.35Å; P148-F156 HydrophobicContact CG-CB 3.68Å; P148-F156 HydrophobicContact CG-CD1 3.74Å; P148-F156 HydrophobicContact CG-CD2 4.34Å; P148-F156 HydrophobicContact CG-CE1 4.44Å; P148-F156 HydrophobicContact CG-CG 3.68Å; N152-F156 WeakPolarHBondContact O-CB 3.27Å; N152-F156 PolarHBondContact O-N 2.68Å; N152-F156 VanDerWaalsContact O-N 3.08Å; V153-F156 PolarHBondContact O-N 3.22Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.88Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.38Å; F156-N159 PolarHBondContact O-N 3.21Å; F156-I160 HydrophobicContact CD1-CD1 3.98Å; F156-I160 HydrophobicContact CD2-CD1 4.31Å; F156-I160 HydrophobicContact CE1-CD1 3.42Å; F156-I160 VanDerWaalsContact CE1-CD1 3.42Å; F156-I160 HydrophobicContact CE2-CD1 3.79Å; F156-I160 HydrophobicContact CG-CD1 4.41Å; F156-I160 HydrophobicContact CZ-CD1 3.32Å; F156-I160 WeakPolarHBondContact O-CG1 3.04Å; F156-I160 PolarHBondContact O-N 2.89Å; F156-I160 VanDerWaalsContact O-N 3.08Å
157W90.9Very high88.5Confident40 Ų4096 Ų9615%0.15248%0.476CS..Hα-helixtrans-64.2-37.9178.6-71.4116.7000112.4L67 L132 A136 L147 V153 L154 I160 T161L67-W157 HydrophobicContact CD1-CH2 4.17Å; L67-W157 HydrophobicContact CD1-CZ3 4.06Å; L67-W157 HydrophobicContact CD2-CZ3 4.45Å; L132-W157 HydrophobicContact CD1-CE3 3.95Å; L132-W157 HydrophobicContact CD2-CD2 4.33Å; L132-W157 HydrophobicContact CD2-CE3 4.14Å; L132-W157 HydrophobicContact CG-CE3 3.87Å; L132-W157 HydrophobicContact CG-CZ3 4.19Å; A136-W157 HydrophobicContact CB-CH2 3.22Å; A136-W157 HydrophobicContact CB-CZ2 3.57Å; A136-W157 HydrophobicContact CB-CZ3 4.1Å; L147-W157 HydrophobicContact CD2-CH2 4.37Å; L147-W157 HydrophobicContact CD2-CZ2 3.91Å; V153-W157 PolarHBondContact O-N 2.89Å; V153-W157 VanDerWaalsContact O-N 3.08Å; L154-W157 PolarHBondContact O-N 2.72Å; W157-I160 PolarHBondContact O-N 3.36Å; W157-T161 WeakPolarHBondContact O-CB 3.45Å; W157-T161 PolarHBondContact O-N 3.39Å; W157-T161 PolarHBondContact O-OG1 3.41Å
158M90.8Very high89.1Confident124 Ų12492.7 Ų92.761%0.61146%0.459SS*.Hα-helixtrans-63.3-45.3175.9-167.8171.1-178.200111.5L154 R155 F156 I160 T161 Q162L154-M158 WeakPolarHBondContact O-CB 3.25Å; L154-M158 PolarHBondContact O-N 3.49Å; R155-M158 PolarHBondContact O-N 2.86Å; F156-M158 VanDerWaalsContact C-N 3.32Å; F156-M158 PolarHBondContact O-N 3.38Å; M158-I160 VanDerWaalsContact C-N 3.3Å; M158-I160 PolarHBondContact O-N 3.44Å; M158-T161 PolarHBondContact O-N 3Å; M158-Q162 VanDerWaalsContact O-CB 3.26Å; M158-Q162 WeakPolarHBondContact O-CB 3.39Å; M158-Q162 PolarHBondContact O-N 3.38Å
159N92.3Very high89.6Confident101 Ų10192.4 Ų92.454%0.5446%0.462SS..Hα-helixtrans-62.1-35.8177.5-74.2-10000112.8R155 F156 P163R155-N159 WeakPolarHBondContact O-CB 3.35Å; R155-N159 PolarHBondContact O-N 3.38Å; F156-N159 PolarHBondContact O-N 3.21Å; N159-P163 WeakPolarHBondContact O-CD 3.36Å
160I92.4Very high90.5Very high24 Ų2488.8 Ų88.812%0.12345%0.452CS..Hα-helixtrans-75-41.3176-69.4178.1000111.3Y63 A66 L67 F156 W157 M158 P163 I164Y63-I160 HydrophobicContact CD1-CG2 4.05Å; Y63-I160 HydrophobicContact CE1-CG2 4.02Å; A66-I160 HydrophobicContact CB-CG2 3.93Å; L67-I160 HydrophobicContact CD2-CD1 3.64Å; F156-I160 HydrophobicContact CD1-CD1 3.98Å; F156-I160 HydrophobicContact CD2-CD1 4.31Å; F156-I160 HydrophobicContact CE1-CD1 3.42Å; F156-I160 VanDerWaalsContact CE1-CD1 3.42Å; F156-I160 HydrophobicContact CE2-CD1 3.79Å; F156-I160 HydrophobicContact CG-CD1 4.41Å; F156-I160 HydrophobicContact CZ-CD1 3.32Å; F156-I160 WeakPolarHBondContact O-CG1 3.04Å; F156-I160 PolarHBondContact O-N 2.89Å; F156-I160 VanDerWaalsContact O-N 3.08Å; W157-I160 PolarHBondContact O-N 3.36Å; M158-I160 VanDerWaalsContact C-N 3.3Å; M158-I160 PolarHBondContact O-N 3.44Å; I160-P163 WeakPolarHBondContact O-CD 3.28Å; I160-P163 WeakPolarHBondContact O-CG 3.46Å; I160-I164 HydrophobicContact CG2-CD1 4.13Å; I160-I164 WeakPolarHBondContact O-CD1 3.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å
161T93.6Very high91.7Very high21 Ų2179.7 Ų79.713%0.12941%0.414CS..Hα-helixtrans-77.1-35.9-172.7-57.90000112.2Y63 L132 W157 M158 I164 L165Y63-T161 VanDerWaalsContact OH-CG2 3.26Å; Y63-T161 WeakPolarHBondContact OH-CG2 3.32Å; Y63-T161 PolarHBondContact OH-OG1 3.32Å; L132-T161 VanDerWaalsContact CD1-OG1 3.3Å; L132-T161 WeakPolarHBondContact CD1-OG1 3.22Å; W157-T161 WeakPolarHBondContact O-CB 3.45Å; W157-T161 PolarHBondContact O-N 3.39Å; W157-T161 PolarHBondContact O-OG1 3.41Å; M158-T161 PolarHBondContact O-N 3Å; T161-I164 CarbonylContact O-C 3.56Å; T161-I164 WeakPolarHBondContact O-CA 3.4Å; T161-I164 WeakPolarHBondContact O-CB 3.12Å; T161-I164 PolarHBondContact O-N 2.92Å; T161-L165 HydrophobicContact CG2-CD1 3.75Å; T161-L165 HydrophobicContact CG2-CG 3.79Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.93Å
162Q94.3Very high92.6Very high121 Ų12177.6 Ų77.657%0.56538%0.383SS*.Hα-helixtrans-53.6-51-179.2-177.8179.1-6.500114.3M158 I164 L165 R166M158-Q162 VanDerWaalsContact O-CB 3.26Å; M158-Q162 WeakPolarHBondContact O-CB 3.39Å; M158-Q162 PolarHBondContact O-N 3.38Å; Q162-I164 VanDerWaalsContact C-N 3.27Å; Q162-I164 PolarHBondContact O-N 3.37Å; Q162-L165 PolarHBondContact O-N 3.43Å; Q162-R166 PolarHBondContact O-N 3.04Å; Q162-R166 VanDerWaalsContact O-N 3.07Å
163P94.4Very high93.2Very high66 Ų6678.2 Ų78.243%0.42939%0.39SS..Hα-helixtrans-67.6-28.6176.926.8-35.5000112.6N159 I160 K167N159-P163 WeakPolarHBondContact O-CD 3.36Å; I160-P163 WeakPolarHBondContact O-CD 3.28Å; I160-P163 WeakPolarHBondContact O-CG 3.46Å; P163-K167 WeakPolarHBondContact O-CG 3.35Å; P163-K167 PolarHBondContact O-N 3.02Å
164I95.1Very high93.7Very high7 Ų779.8 Ų79.84%0.03640%0.396CS..Hα-helixtrans-70.6-45.4176.6-62.8175000110L62 Y63 A66 I160 T161 Q162 R166 K167 M168L62-I164 HydrophobicContact CB-CD1 4.37Å; L62-I164 HydrophobicContact CB-CG1 4.17Å; L62-I164 HydrophobicContact CB-CG2 4.09Å; L62-I164 HydrophobicContact CD1-CG2 4.02Å; Y63-I164 HydrophobicContact CD1-CD1 3.38Å; Y63-I164 HydrophobicContact CD2-CD1 3.92Å; Y63-I164 HydrophobicContact CD2-CG2 4.31Å; Y63-I164 HydrophobicContact CE1-CD1 3.46Å; Y63-I164 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I164 HydrophobicContact CE2-CD1 4.01Å; Y63-I164 HydrophobicContact CE2-CG2 3.92Å; Y63-I164 HydrophobicContact CG-CD1 3.62Å; A66-I164 HydrophobicContact CB-CD1 4.35Å; I160-I164 HydrophobicContact CG2-CD1 4.13Å; I160-I164 WeakPolarHBondContact O-CD1 3.45Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å; T161-I164 CarbonylContact O-C 3.56Å; T161-I164 WeakPolarHBondContact O-CA 3.4Å; T161-I164 WeakPolarHBondContact O-CB 3.12Å; T161-I164 PolarHBondContact O-N 2.92Å; Q162-I164 VanDerWaalsContact C-N 3.27Å; Q162-I164 PolarHBondContact O-N 3.37Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.8Å; I164-K167 PolarHBondContact O-N 2.96Å; I164-K167 VanDerWaalsContact O-N 3.15Å; I164-M168 HydrophobicContact CG2-CG 4.18Å; I164-M168 WeakPolarHBondContact O-CB 3.33Å; I164-M168 WeakPolarHBondContact O-CG 3.16Å; I164-M168 PolarHBondContact O-N 3.12Å
165L94.3Very high94.1Very high83 Ų8373.3 Ų73.344%0.43536%0.362SS..Hα-helixtrans-57.3-41.8173.6-74172.8000111.4I128 T161 Q162 K167 M168 G169I128-L165 HydrophobicContact CD1-CD2 3.94Å; I128-L165 HydrophobicContact CG2-CD2 3.94Å; T161-L165 HydrophobicContact CG2-CD1 3.75Å; T161-L165 HydrophobicContact CG2-CG 3.79Å; T161-L165 WeakPolarHBondContact O-CG 3.28Å; T161-L165 PolarHBondContact O-N 2.93Å; Q162-L165 PolarHBondContact O-N 3.43Å; L165-K167 PolarHBondContact O-N 2.98Å; L165-M168 CarbonylContact O-C 3.58Å; L165-M168 PolarHBondContact O-N 2.91Å; L165-G169 PolarHBondContact O-N 3.47Å
166R95Very high94.5Very high222 Ų22267.7 Ų67.784%0.83835%0.346SS*.Hα-helixtrans-62.2-40.9176.9-169.3173.7-179.9164.80.4112.4Q162 I164Q162-R166 PolarHBondContact O-N 3.04Å; Q162-R166 VanDerWaalsContact O-N 3.07Å; I164-R166 VanDerWaalsContact C-N 3.28Å; I164-R166 PolarHBondContact O-N 2.8Å
167K94.9Very high94.8Very high128 Ų12872 Ų7256%0.55737%0.365SS*.Hα-helixtrans-70.3-40.5176.1-70.6175-177.8-179.40112.1L62 P163 I164 L165 G169L62-K167 HydrophobicContact CD1-CB 4.07Å; L62-K167 HydrophobicContact CD1-CD 4.35Å; L62-K167 HydrophobicContact CD2-CD 3.78Å; P163-K167 WeakPolarHBondContact O-CG 3.35Å; P163-K167 PolarHBondContact O-N 3.02Å; I164-K167 PolarHBondContact O-N 2.96Å; I164-K167 VanDerWaalsContact O-N 3.15Å; L165-K167 PolarHBondContact O-N 2.98Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.41Å
168M95.9Very high95.1Very high0 Ų074.6 Ų74.60%038%0.378CS..Hα-helixtrans-74.4-15.4178.8-70.6-66.2-66.300113A55 I58 A59 L62 I128 I164 L165 V170 V171 I172A55-M168 HydrophobicContact CB-CE 4.25Å; I58-M168 HydrophobicContact CB-SD 4.32Å; I58-M168 HydrophobicContact CG2-SD 3.68Å; A59-M168 HydrophobicContact CB-CE 4.13Å; A59-M168 HydrophobicContact CB-SD 4.37Å; L62-M168 HydrophobicContact CD1-CG 4.09Å; L62-M168 HydrophobicContact CD1-SD 4.16Å; I128-M168 HydrophobicContact CD1-CB 3.53Å; I128-M168 HydrophobicContact CD1-CE 4.15Å; I128-M168 HydrophobicContact CD1-CG 3.89Å; I128-M168 HydrophobicContact CG1-CB 4.24Å; I128-M168 HydrophobicContact CG1-CE 3.87Å; I128-M168 HydrophobicContact CG1-CG 4.03Å; I164-M168 HydrophobicContact CG2-CG 4.18Å; I164-M168 WeakPolarHBondContact O-CB 3.33Å; I164-M168 WeakPolarHBondContact O-CG 3.16Å; I164-M168 PolarHBondContact O-N 3.12Å; L165-M168 CarbonylContact O-C 3.58Å; L165-M168 PolarHBondContact O-N 2.91Å; M168-V170 VanDerWaalsContact C-N 3.26Å; M168-V170 PolarHBondContact O-N 3.32Å; M168-V171 HydrophobicContact CE-CB 4.18Å; M168-V171 HydrophobicContact CE-CG1 4.14Å; M168-V171 HydrophobicContact CE-CG2 4.47Å; M168-V171 CarbonylContact O-C 3.48Å; M168-V171 WeakPolarHBondContact O-CA 3.17Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 3.45Å; M168-V171 HydrophobicContact SD-CB 4.45Å; M168-V171 HydrophobicContact SD-CG2 4.17Å; M168-I172 WeakPolarHBondContact O-CG1 3.06Å; M168-I172 PolarHBondContact O-N 2.87Å
169G95.3Very high95.3Very high28 Ų2868.7 Ų68.729%0.28935%0.349SS..Hα-helixtrans-53.5-42.1178.600000112.9L165 K167 V171 I172 V173L165-G169 PolarHBondContact O-N 3.47Å; K167-G169 VanDerWaalsContact C-N 3.26Å; K167-G169 PolarHBondContact O-N 3.41Å; G169-V171 PolarHBondContact O-N 2.98Å; G169-I172 PolarHBondContact O-N 3.19Å; G169-V173 WeakPolarHBondContact O-CG2 3.44Å; G169-V173 PolarHBondContact O-N 3.11Å
170V95.1Very high95.5Very high100 Ų10065.8 Ų65.861%0.60634%0.335SS*.Hα-helixtrans-63.6-42175.4-178.80000111.3M168 I172 V173 L174M168-V170 VanDerWaalsContact C-N 3.26Å; M168-V170 PolarHBondContact O-N 3.32Å; V170-I172 PolarHBondContact O-N 3.33Å; V170-V173 PolarHBondContact O-N 2.9Å; V170-L174 HydrophobicContact CG1-CD1 4.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.06Å
171V95.3Very high95.7Very high25 Ų2569.5 Ų69.515%0.15235%0.348CS..Hα-helixtrans-61.5-45.8176.7-176.60000110.3A55 M168 G169 V173 L174 Q175A55-V171 HydrophobicContact CB-CG1 3.88Å; M168-V171 HydrophobicContact CE-CB 4.18Å; M168-V171 HydrophobicContact CE-CG1 4.14Å; M168-V171 HydrophobicContact CE-CG2 4.47Å; M168-V171 CarbonylContact O-C 3.48Å; M168-V171 WeakPolarHBondContact O-CA 3.17Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 3.45Å; M168-V171 HydrophobicContact SD-CB 4.45Å; M168-V171 HydrophobicContact SD-CG2 4.17Å; G169-V171 PolarHBondContact O-N 2.98Å; V171-V173 PolarHBondContact O-N 3.29Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.07Å; V171-Q175 HydrophobicContact CG1-CG 4.42Å; V171-Q175 WeakPolarHBondContact O-CG 3.33Å; V171-Q175 PolarHBondContact O-N 2.8Å
172I96.7Very high95.8Very high37 Ų3769.2 Ų69.219%0.1935%0.346CS..Hα-helixtrans-60.3-45.5178.9-65167.8000110.9V125 I128 M168 G169 V170 L174 Q175 V176V125-I172 HydrophobicContact CG2-CD1 4.36Å; I128-I172 HydrophobicContact CD1-CD1 3.95Å; M168-I172 WeakPolarHBondContact O-CG1 3.06Å; M168-I172 PolarHBondContact O-N 2.87Å; G169-I172 PolarHBondContact O-N 3.19Å; V170-I172 PolarHBondContact O-N 3.33Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.41Å; I172-Q175 PolarHBondContact O-N 2.93Å; I172-Q175 VanDerWaalsContact O-N 3.13Å; I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.21Å
173V97.4Very high95.8Very high100 Ų10063.5 Ų63.561%0.60632%0.319SS*.Hα-helixtrans-60.4-42.1177.3171.90000110.9G169 V170 V171 V176 F177G169-V173 WeakPolarHBondContact O-CG2 3.44Å; G169-V173 PolarHBondContact O-N 3.11Å; V170-V173 PolarHBondContact O-N 2.9Å; V171-V173 PolarHBondContact O-N 3.29Å; V173-V176 WeakPolarHBondContact O-CB 3.44Å; V173-V176 PolarHBondContact O-N 3.4Å; V173-F177 PolarHBondContact O-N 2.84Å
174L96.2Very high95.8Very high90 Ų9062 Ų6247%0.47131%0.31SS..Hα-helixtrans-62.5-42.3174.2-70.5170.6000111.7V170 V171 I172 V176 F177 F178V170-L174 HydrophobicContact CG1-CD1 4.29Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 3.06Å; V171-L174 WeakPolarHBondContact O-CB 3.31Å; V171-L174 PolarHBondContact O-N 3.07Å; I172-L174 VanDerWaalsContact C-N 3.3Å; I172-L174 PolarHBondContact O-N 3.41Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.17Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.32Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.47Å; L174-F178 PolarHBondContact O-N 3.25Å
175Q96.4Very high95.7Very high11 Ų1166.3 Ų66.35%0.05133%0.326CS..Hα-helixtrans-64.4-37.6176.9-60.4-52.7-19.400112.6N51 G119 A123 V171 I172 F177 F178 G179N51-Q175 VanDerWaalsContact CB-OE1 3.23Å; N51-Q175 PolarHBondContact O-NE2 3.44Å; G119-Q175 VanDerWaalsContact O-CB 3.26Å; G119-Q175 WeakPolarHBondContact O-CB 3.34Å; A123-Q175 HydrophobicContact CB-CB 4.17Å; A123-Q175 HydrophobicContact CB-CG 3.79Å; V171-Q175 HydrophobicContact CG1-CG 4.42Å; V171-Q175 WeakPolarHBondContact O-CG 3.33Å; V171-Q175 PolarHBondContact O-N 2.8Å; I172-Q175 PolarHBondContact O-N 2.93Å; I172-Q175 VanDerWaalsContact O-N 3.13Å; Q175-F177 VanDerWaalsContact C-N 3.34Å; Q175-F178 PolarHBondContact O-N 3.43Å; Q175-G179 PolarHBondContact O-N 2.83Å
176V97.6Very high95.6Very high51 Ų5162.4 Ų62.431%0.30931%0.305SS..Hα-helixtrans-59.4-48172.6167.60000110.1A116 A120 I172 V173 L174 G179 T180A116-V176 HydrophobicContact CB-CG1 4.23Å; A120-V176 HydrophobicContact CB-CG2 3.67Å; I172-V176 WeakPolarHBondContact O-CG2 3.49Å; I172-V176 PolarHBondContact O-N 3.21Å; V173-V176 WeakPolarHBondContact O-CB 3.44Å; V173-V176 PolarHBondContact O-N 3.4Å; L174-V176 VanDerWaalsContact C-N 3.33Å; L174-V176 PolarHBondContact O-N 3.17Å; V176-G179 PolarHBondContact O-N 3.15Å; V176-T180 WeakPolarHBondContact O-CB 3.39Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.03Å
177F97.3Very high95.4Very high133 Ų13352.8 Ų52.858%0.58327%0.269SS*.Hα-helixtrans-61.4-49178.7179.9-98000111.8V173 L174 Q175 G179 T180 Y181V173-F177 PolarHBondContact O-N 2.84Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.32Å; Q175-F177 VanDerWaalsContact C-N 3.34Å; F177-G179 PolarHBondContact O-N 2.95Å; F177-T180 PolarHBondContact O-N 3.15Å; F177-Y181 WeakPolarHBondContact O-CB 3.38Å; F177-Y181 PolarHBondContact O-N 3.39Å
178F95.9Very high95.2Very high94 Ų9449.9 Ų49.941%0.41226%0.26SS..Hα-helixtrans-62.2-43.1177.6-87-72.8000112.6L48 L174 Q175 Y181 L182L48-F178 HydrophobicContact CD1-CB 4.21Å; L174-F178 VanDerWaalsContact O-CD2 3.26Å; L174-F178 WeakPolarHBondContact O-CD2 3.47Å; L174-F178 PolarHBondContact O-N 3.25Å; Q175-F178 PolarHBondContact O-N 3.43Å; F178-Y181 PolarHBondContact O-N 2.86Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.37Å; F178-L182 PolarHBondContact O-N 3.27Å
179G96.5Very high94.8Very high0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-63.1-42.1176.800000112.3G115 Q175 V176 F177 S183G115-G179 CarbonylContact C-O 3.58Å; G115-G179 CarbonylContact O-C 3.59Å; G115-G179 WeakPolarHBondContact O-CA 3.4Å; Q175-G179 PolarHBondContact O-N 2.83Å; V176-G179 PolarHBondContact O-N 3.15Å; F177-G179 PolarHBondContact O-N 2.95Å; G179-S183 WeakPolarHBondContact O-CB 3.41Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.08Å; G179-S183 VanDerWaalsContact O-OG 3.13Å
180T96.9Very high94.3Very high40 Ų4049 Ų4925%0.24525%0.248CC..Hα-helixtrans-63.8-51.4175.5-510000110.8L112 A116 V176 F177 L182 S183 S184L112-T180 HydrophobicContact CB-CG2 4.25Å; L112-T180 HydrophobicContact CD2-CG2 4.13Å; L112-T180 HydrophobicContact CG-CG2 3.95Å; A116-T180 WeakPolarHBondContact CB-OG1 3.33Å; V176-T180 WeakPolarHBondContact O-CB 3.39Å; V176-T180 PolarHBondContact O-N 3.37Å; V176-T180 PolarHBondContact O-OG1 3.03Å; F177-T180 PolarHBondContact O-N 3.15Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.31Å; T180-S183 PolarHBondContact O-N 2.87Å; T180-S183 PolarHBondContact O-OG 3.4Å; T180-S184 PolarHBondContact O-N 2.91Å
181Y95.6Very high94Very high102 Ų10247.8 Ų47.840%0.424%0.238SC..Hα-helixtrans-59.2-43.9179.4173.2-102.1000112.4F177 F178 S183 S184 R185F177-Y181 WeakPolarHBondContact O-CB 3.38Å; F177-Y181 PolarHBondContact O-N 3.39Å; F178-Y181 PolarHBondContact O-N 2.86Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.01Å; Y181-S184 PolarHBondContact O-N 3.2Å; Y181-S184 PolarHBondContact O-OG 2.8Å; Y181-R185 HydrophobicContact CE1-CG 4.14Å; Y181-R185 HydrophobicContact CE2-CG 4.11Å; Y181-R185 WeakPolarHBondContact O-CG 3.32Å; Y181-R185 PolarHBondContact O-N 2.96Å; Y181-R185 VanDerWaalsContact O-N 3.09Å; Y181-R185 PolarHBondContact OH-NE 3.47Å; Y181-R185 VanDerWaalsContact OH-NE 3.08Å; Y181-R185 PolarHBondContact OH-NH2 3.45Å
182L95.2Very high93.5Very high16 Ų1650.5 Ų50.58%0.08425%0.247CC..Hα-helixtrans-64.1-43.4178.9-178.464.1000111I40 G44 L48 Y92 F178 T180 S184 R185 H186I40-L182 HydrophobicContact CG2-CD1 4.08Å; G44-L182 VanDerWaalsContact O-CD2 3.29Å; G44-L182 WeakPolarHBondContact O-CD2 3.32Å; L48-L182 HydrophobicContact CB-CD2 4.07Å; L48-L182 HydrophobicContact CD2-CD2 4.37Å; Y92-L182 HydrophobicContact CD2-CD2 4.27Å; Y92-L182 HydrophobicContact CE1-CD2 4.14Å; Y92-L182 HydrophobicContact CE2-CD2 3.68Å; Y92-L182 HydrophobicContact CE2-CG 4.14Å; Y92-L182 WeakPolarHBondContact OH-CG 3.46Å; F178-L182 VanDerWaalsContact O-CB 3.26Å; F178-L182 WeakPolarHBondContact O-CB 3.37Å; F178-L182 PolarHBondContact O-N 3.27Å; T180-L182 VanDerWaalsContact C-N 3.34Å; T180-L182 PolarHBondContact O-N 3.31Å; L182-S184 PolarHBondContact O-N 3.5Å; L182-R185 PolarHBondContact O-N 3.42Å; L182-H186 PolarHBondContact O-CD2 3.4Å; L182-H186 VanDerWaalsContact O-CD2 3.29Å; L182-H186 PolarHBondContact O-N 3.46Å
183S94.5Very high92.9Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-66.8-34.617969.70000113.1Y92 V111 L112 G179 T180 Y181 H186 F187Y92-S183 WeakPolarHBondContact OH-CA 3.28Å; Y92-S183 PolarHBondContact OH-N 3.47Å; V111-S183 WeakPolarHBondContact CG1-O 3.29Å; V111-S183 WeakPolarHBondContact O-CB 3.41Å; V111-S183 PolarHBondContact O-OG 3Å; L112-S183 WeakPolarHBondContact CA-OG 3.27Å; G179-S183 WeakPolarHBondContact O-CB 3.41Å; G179-S183 PolarHBondContact O-N 3.49Å; G179-S183 PolarHBondContact O-OG 3.08Å; G179-S183 VanDerWaalsContact O-OG 3.13Å; T180-S183 PolarHBondContact O-N 2.87Å; T180-S183 PolarHBondContact O-OG 3.4Å; Y181-S183 VanDerWaalsContact C-N 3.33Å; Y181-S183 PolarHBondContact O-N 3.01Å; S183-H186 PolarHBondContact O-N 3.21Å; S183-F187 PolarHBondContact O-N 2.82Å
184S94.7Very high92.2Very high34 Ų3446.9 Ų46.924%0.23822%0.224CC..Hα-helixtrans-65.9-43173.971.80000111T180 Y181 L182 H186 F187 D188T180-S184 PolarHBondContact O-N 2.91Å; Y181-S184 PolarHBondContact O-N 3.2Å; Y181-S184 PolarHBondContact O-OG 2.8Å; L182-S184 PolarHBondContact O-N 3.5Å; S184-H186 VanDerWaalsContact C-N 3.33Å; S184-H186 PolarHBondContact O-N 3.35Å; S184-F187 WeakPolarHBondContact O-CB 3.4Å; S184-F187 PolarHBondContact O-N 2.77Å; S184-D188 PolarHBondContact O-N 2.91Å
185R93Very high91.6Very high99 Ų9949 Ų4937%0.37423%0.232SC..Hα-helixtrans-62.1-40.8174.7-69.5-59.9-169.4-175.12.6112.3I40 Y181 L182 F187 D188 S189I40-R185 HydrophobicContact CG2-CB 3.95Å; Y181-R185 HydrophobicContact CE1-CG 4.14Å; Y181-R185 HydrophobicContact CE2-CG 4.11Å; Y181-R185 WeakPolarHBondContact O-CG 3.32Å; Y181-R185 PolarHBondContact O-N 2.96Å; Y181-R185 VanDerWaalsContact O-N 3.09Å; Y181-R185 PolarHBondContact OH-NE 3.47Å; Y181-R185 VanDerWaalsContact OH-NE 3.08Å; Y181-R185 PolarHBondContact OH-NH2 3.45Å; L182-R185 PolarHBondContact O-N 3.42Å; R185-F187 VanDerWaalsContact C-N 3.31Å; R185-F187 PolarHBondContact O-N 3.22Å; R185-D188 PolarHBondContact O-N 3.4Å; R185-S189 PolarHBondContact O-N 2.96Å; R185-S189 PolarHBondContact O-OG 3.47Å; R185-S189 VanDerWaalsContact O-OG 3.08Å
186H91.3Very high90.9Very high0 Ų051.3 Ų51.30%025%0.245CC..Hα-helixtrans-62.4-40.7175.8-78.9-151.4000111.5I40 F41 Y92 L100 L182 S183 S184 S189 Y190I40-H186 PolarHBondContact O-NE2 3.35Å; F41-H186 WeakPolarHBondContact CA-NE2 3.32Å; F41-H186 HydrophobicContact CD2-CB 4.47Å; F41-H186 HydrophobicContact CE2-CB 4.43Å; Y92-H186 AromaticContact CE1-CE1 3.46Å; Y92-H186 VanDerWaalsContact CE1-CE1 3.46Å; Y92-H186 WeakPolarHBondContact CE1-CE1 3.36Å; Y92-H186 AromaticContact CE1-ND1 3.38Å; Y92-H186 WeakPolarHBondContact CE1-ND1 3.15Å; Y92-H186 AromaticContact CZ-CE1 3.93Å; Y92-H186 AromaticContact CZ-ND1 3.66Å; Y92-H186 PolarHBondContact OH-ND1 3.14Å; L100-H186 HydrophobicContact CD2-CB 3.84Å; L100-H186 WeakPolarHBondContact CD2-O 3.26Å; L182-H186 PolarHBondContact O-CD2 3.4Å; L182-H186 VanDerWaalsContact O-CD2 3.29Å; L182-H186 PolarHBondContact O-N 3.46Å; S183-H186 PolarHBondContact O-N 3.21Å; S184-H186 VanDerWaalsContact C-N 3.33Å; S184-H186 PolarHBondContact O-N 3.35Å; H186-S189 PolarHBondContact O-N 3.32Å; H186-Y190 WeakPolarHBondContact O-CB 3.37Å; H186-Y190 PolarHBondContact O-N 2.87Å
187F91.8Very high89.9Confident20 Ų2050.2 Ų50.29%0.08824%0.239CC..Hα-helixtrans-65-42.6175.4-170.6-107.5000112.5L100 P108 V111 S183 S184 R185 S189 Y190 L191L100-F187 HydrophobicContact CD1-CD2 3.94Å; P108-F187 HydrophobicContact CB-CD1 4.18Å; P108-F187 HydrophobicContact CB-CE1 3.69Å; P108-F187 HydrophobicContact CB-CZ 4Å; P108-F187 HydrophobicContact CG-CE1 4.45Å; P108-F187 HydrophobicContact CG-CZ 4.48Å; V111-F187 HydrophobicContact CB-CD2 4.44Å; V111-F187 HydrophobicContact CG1-CB 4.15Å; V111-F187 HydrophobicContact CG2-CD2 3.84Å; V111-F187 HydrophobicContact CG2-CE2 4.41Å; S183-F187 PolarHBondContact O-N 2.82Å; S184-F187 WeakPolarHBondContact O-CB 3.4Å; S184-F187 PolarHBondContact O-N 2.77Å; R185-F187 VanDerWaalsContact C-N 3.31Å; R185-F187 PolarHBondContact O-N 3.22Å; F187-S189 PolarHBondContact O-N 2.93Å; F187-Y190 HydrophobicContact CD2-CD1 4.42Å; F187-Y190 HydrophobicContact CE2-CD1 4.42Å; F187-Y190 WeakPolarHBondContact O-CB 2.96Å; F187-Y190 PolarHBondContact O-N 3.28Å; F187-Y190 VanDerWaalsContact O-N 3.15Å; F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CD1-CG 4.32Å; F187-L191 HydrophobicContact CE1-CD1 3.62Å; F187-L191 HydrophobicContact CE1-CD2 4.28Å; F187-L191 HydrophobicContact CE1-CG 3.99Å; F187-L191 HydrophobicContact CZ-CD1 4.26Å; F187-L191 HydrophobicContact CZ-CD2 4.08Å; F187-L191 HydrophobicContact CZ-CG 4.24Å; F187-L191 PolarHBondContact O-N 2.87Å
188D90.6Very high89Confident68 Ų6847.7 Ų47.736%0.36424%0.235SC..Hα-helixtrans-60.8-45.1176.1-66.8-21.4000111.5S184 R185 Y190 L191 K192S184-D188 PolarHBondContact O-N 2.91Å; R185-D188 PolarHBondContact O-N 3.4Å; D188-Y190 VanDerWaalsContact C-N 3.28Å; D188-Y190 PolarHBondContact O-N 3.36Å; D188-L191 PolarHBondContact O-N 3.37Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.43Å
189S86.7Confident88Confident1 Ų146 Ų461%0.00724%0.235CC..Hα-helixtrans-62.2-37.7175.1-55.30000111.6R185 H186 F187 K192 L193R185-S189 PolarHBondContact O-N 2.96Å; R185-S189 PolarHBondContact O-OG 3.47Å; R185-S189 VanDerWaalsContact O-OG 3.08Å; H186-S189 PolarHBondContact O-N 3.32Å; F187-S189 PolarHBondContact O-N 2.93Å; S189-K192 PolarHBondContact O-N 3.44Å; S189-L193 WeakPolarHBondContact O-CG 3.18Å; S189-L193 PolarHBondContact O-N 3.29Å
190Y86.1Confident86.4Confident9 Ų948 Ų484%0.03525%0.245CC..Hα-helixtrans-63.9-42.6176.1175.5-106.4000113M26 L100 G103 N106 H186 F187 D188 K192 L193 I194M26-Y190 HydrophobicContact CE-CE2 3.85Å; M26-Y190 HydrophobicContact SD-CD2 4.36Å; M26-Y190 HydrophobicContact SD-CE2 3.7Å; L100-Y190 HydrophobicContact CD1-CD1 3.62Å; L100-Y190 HydrophobicContact CD1-CD2 4.2Å; L100-Y190 HydrophobicContact CD1-CE1 4.17Å; L100-Y190 HydrophobicContact CD1-CG 3.63Å; L100-Y190 HydrophobicContact CD2-CG 4.45Å; L100-Y190 HydrophobicContact CG-CD1 4.28Å; L100-Y190 HydrophobicContact CG-CD2 3.98Å; L100-Y190 HydrophobicContact CG-CG 3.76Å; L100-Y190 WeakPolarHBondContact O-CD2 3.26Å; L100-Y190 WeakPolarHBondContact O-CE2 3.4Å; G103-Y190 WeakPolarHBondContact CA-OH 3.3Å; N106-Y190 WeakPolarHBondContact OD1-CE1 3.34Å; N106-Y190 PolarHBondContact OD1-OH 3.09Å; H186-Y190 WeakPolarHBondContact O-CB 3.37Å; H186-Y190 PolarHBondContact O-N 2.87Å; F187-Y190 HydrophobicContact CD2-CD1 4.42Å; F187-Y190 HydrophobicContact CE2-CD1 4.42Å; F187-Y190 WeakPolarHBondContact O-CB 2.96Å; F187-Y190 PolarHBondContact O-N 3.28Å; F187-Y190 VanDerWaalsContact O-N 3.15Å; D188-Y190 VanDerWaalsContact C-N 3.28Å; D188-Y190 PolarHBondContact O-N 3.36Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.84Å; Y190-L193 WeakPolarHBondContact O-CB 3.11Å; Y190-L193 PolarHBondContact O-N 3.04Å; Y190-I194 HydrophobicContact CD1-CD1 3.81Å; Y190-I194 HydrophobicContact CE1-CD1 3.2Å; Y190-I194 HydrophobicContact CE1-CG1 4.18Å; Y190-I194 HydrophobicContact CE2-CD1 4.14Å; Y190-I194 HydrophobicContact CE2-CG1 4.26Å; Y190-I194 HydrophobicContact CG-CD1 4.49Å; Y190-I194 PolarHBondContact O-N 3.5Å
191L87.8Confident84.7Confident74 Ų7447.7 Ų47.739%0.38725%0.25SC..Hα-helixtrans-62-40.5175.7-69.5179.4000112.1F187 D188 L193 I194 Q195F187-L191 HydrophobicContact CD1-CD1 4.03Å; F187-L191 HydrophobicContact CD1-CG 4.32Å; F187-L191 HydrophobicContact CE1-CD1 3.62Å; F187-L191 HydrophobicContact CE1-CD2 4.28Å; F187-L191 HydrophobicContact CE1-CG 3.99Å; F187-L191 HydrophobicContact CZ-CD1 4.26Å; F187-L191 HydrophobicContact CZ-CD2 4.08Å; F187-L191 HydrophobicContact CZ-CG 4.24Å; F187-L191 PolarHBondContact O-N 2.87Å; D188-L191 PolarHBondContact O-N 3.37Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.36Å; L191-I194 PolarHBondContact O-N 3.03Å; L191-Q195 WeakPolarHBondContact O-CG 3.33Å; L191-Q195 PolarHBondContact O-N 2.88Å
192K86.3Confident83Confident81 Ų8148.9 Ų48.935%0.35226%0.259SS..Hα-helixtrans-62.5-38.6174.5-65.7177.3-168.4176.60112L33 D37 D188 S189 Y190 Q195 L196L33-K192 HydrophobicContact CD2-CB 3.9Å; D37-K192 IonicContact OD1-NZ 3.62Å; D37-K192 WeakPolarHBondContact OD2-CD 3.14Å; D37-K192 IonicContact OD2-NZ 2.7Å; D37-K192 PolarHBondContact OD2-NZ 3.36Å; D188-K192 WeakPolarHBondContact O-CG 3.45Å; D188-K192 PolarHBondContact O-N 3.43Å; S189-K192 PolarHBondContact O-N 3.44Å; Y190-K192 VanDerWaalsContact C-N 3.32Å; Y190-K192 PolarHBondContact O-N 2.84Å; K192-Q195 PolarHBondContact O-N 3.16Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.01Å
193L83.3Confident81.1Confident0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-61.5-43.9175.3-74.5167.6000112.3N29 F30 L33 S189 Y190 L191 L196 S197N29-L193 HydrophobicContact CB-CD2 4.25Å; F30-L193 HydrophobicContact CB-CD2 4.21Å; F30-L193 HydrophobicContact CD2-CD1 4.17Å; F30-L193 HydrophobicContact CD2-CD2 4.46Å; L33-L193 HydrophobicContact CD1-CD1 3.95Å; L33-L193 HydrophobicContact CD1-CD2 3.54Å; L33-L193 HydrophobicContact CD1-CG 3.68Å; L33-L193 HydrophobicContact CD2-CD2 4.08Å; L33-L193 HydrophobicContact CD2-CG 4.09Å; L33-L193 HydrophobicContact CG-CD2 3.56Å; L33-L193 HydrophobicContact CG-CG 3.99Å; S189-L193 WeakPolarHBondContact O-CG 3.18Å; S189-L193 PolarHBondContact O-N 3.29Å; Y190-L193 WeakPolarHBondContact O-CB 3.11Å; Y190-L193 PolarHBondContact O-N 3.04Å; L191-L193 VanDerWaalsContact C-N 3.32Å; L191-L193 PolarHBondContact O-N 3.36Å; L193-L196 PolarHBondContact O-N 2.94Å; L193-S197 WeakPolarHBondContact O-CB 3.3Å; L193-S197 PolarHBondContact O-N 3.05Å; L193-S197 PolarHBondContact O-OG 3.07Å
194I82.5Confident79.2Confident61 Ų6160.3 Ų60.331%0.31332%0.319SS..Hα-helixtrans-62.3-46.9176.9-66.9163.7000109.9Y190 L191 L196 S197 T198Y190-I194 HydrophobicContact CD1-CD1 3.81Å; Y190-I194 HydrophobicContact CE1-CD1 3.2Å; Y190-I194 HydrophobicContact CE1-CG1 4.18Å; Y190-I194 HydrophobicContact CE2-CD1 4.14Å; Y190-I194 HydrophobicContact CE2-CG1 4.26Å; Y190-I194 HydrophobicContact CG-CD1 4.49Å; Y190-I194 PolarHBondContact O-N 3.5Å; L191-I194 PolarHBondContact O-N 3.03Å; I194-L196 PolarHBondContact O-N 2.93Å; I194-S197 WeakPolarHBondContact O-CB 3.38Å; I194-S197 PolarHBondContact O-N 2.88Å; I194-S197 VanDerWaalsContact O-N 3.09Å; I194-T198 PolarHBondContact O-N 3.36Å; I194-T198 PolarHBondContact O-OG1 2.83Å
195Q83.9Confident77.1Confident135 Ų13566.6 Ų66.663%0.63135%0.345SS*.Hα-helixtrans-58.1-45.4179.5-73.1174.6-19.900112.4L191 K192 S197 T198 S199L191-Q195 WeakPolarHBondContact O-CG 3.33Å; L191-Q195 PolarHBondContact O-N 2.88Å; K192-Q195 PolarHBondContact O-N 3.16Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.86Å; Q195-T198 PolarHBondContact O-N 3.1Å; Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 VanDerWaalsContact O-N 3.08Å
196L82.1Confident74.5Confident60 Ų6071.7 Ų71.731%0.31438%0.38SS..Hα-helixtrans-63.6-37.2175.5-71169.8000112.3L33 K192 L193 I194 N200L33-L196 HydrophobicContact CD2-CD1 4.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 2.94Å; I194-L196 PolarHBondContact O-N 2.93Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 3.4Å; L196-N200 PolarHBondContact O-ND2 3.39Å; L196-N200 VanDerWaalsContact O-ND2 3.09Å
197S77.1Confident73.6Confident28 Ų2875.3 Ų75.320%0.19640%0.399CS..Hα-helixtrans-68.1-39.7178.6-550000112.1N29 L193 I194 Q195 G201N29-S197 VanDerWaalsContact ND2-CA 3.32Å; N29-S197 WeakPolarHBondContact ND2-CA 3.41Å; N29-S197 WeakPolarHBondContact ND2-CB 3.45Å; N29-S197 PolarHBondContact ND2-OG 3.5Å; L193-S197 WeakPolarHBondContact O-CB 3.3Å; L193-S197 PolarHBondContact O-N 3.05Å; L193-S197 PolarHBondContact O-OG 3.07Å; I194-S197 WeakPolarHBondContact O-CB 3.38Å; I194-S197 PolarHBondContact O-N 2.88Å; I194-S197 VanDerWaalsContact O-N 3.09Å; Q195-S197 VanDerWaalsContact C-N 3.31Å; Q195-S197 PolarHBondContact O-N 2.86Å; S197-G201 PolarHBondContact O-N 2.96Å
198T76.9Confident72.7Confident80 Ų8078.2 Ų78.249%0.49142%0.415SS..Hα-helixtrans-66.9-46.7176.6-56.70000111.4I194 Q195 N200 G201 E202I194-T198 PolarHBondContact O-N 3.36Å; I194-T198 PolarHBondContact O-OG1 2.83Å; Q195-T198 PolarHBondContact O-N 3.1Å; T198-N200 VanDerWaalsContact C-N 3.34Å; T198-N200 PolarHBondContact O-N 3.17Å; T198-G201 PolarHBondContact O-N 2.99Å; T198-E202 PolarHBondContact O-N 3.42Å
199S74.3Confident71.7Confident59 Ų5978.8 Ų78.841%0.41342%0.418SS..Hα-helixtrans-55.7-46.5178-171.60000112.1Q195 G201 E202 D203Q195-S199 PolarHBondContact O-N 3.05Å; Q195-S199 VanDerWaalsContact O-N 3.08Å; S199-G201 VanDerWaalsContact C-N 3.26Å; S199-G201 PolarHBondContact O-N 3.39Å; S199-E202 PolarHBondContact O-N 2.82Å; S199-D203 PolarHBondContact O-N 2.78Å
200N64.6Low70.8Confident42 Ų4283.4 Ų83.423%0.22544%0.442CS..Hα-helixtrans-67.7-26179.4-64.8-28.8000113.1N29 R32 L196 T198 E202 L204N29-N200 PolarHBondContact OD1-ND2 3.41Å; R32-N200 PolarHBondContact NH1-ND2 3.23Å; L196-N200 VanDerWaalsContact O-CG 3.27Å; L196-N200 PolarHBondContact O-N 3.4Å; L196-N200 PolarHBondContact O-ND2 3.39Å; L196-N200 VanDerWaalsContact O-ND2 3.09Å; T198-N200 VanDerWaalsContact C-N 3.34Å; T198-N200 PolarHBondContact O-N 3.17Å; N200-E202 VanDerWaalsContact C-N 3.33Å; N200-L204 WeakPolarHBondContact O-CD1 3.32Å; N200-L204 PolarHBondContact O-N 2.91Å
201G60.3Low69.9Low32 Ų3288 Ų8833%0.3347%0.467SS..Hα-helixtrans-75.5-22.6177.900000113.6S197 T198 S199 Q205S197-G201 PolarHBondContact O-N 2.96Å; T198-G201 PolarHBondContact O-N 2.99Å; S199-G201 VanDerWaalsContact C-N 3.26Å; S199-G201 PolarHBondContact O-N 3.39Å; G201-Q205 PolarHBondContact O-NE2 3.31Å; G201-Q205 VanDerWaalsContact O-NE2 3.14Å
202E60.4Low68.7Low128 Ų12888.9 Ų88.960%0.59847%0.473SS*.Hα-helixtrans-79.7-43.3172.6-66.4-179.6140.700110.4T198 S199 N200 L204 Q205T198-E202 PolarHBondContact O-N 3.42Å; S199-E202 PolarHBondContact O-N 2.82Å; N200-E202 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.01Å; E202-L204 VanDerWaalsContact O-N 3.12Å; E202-Q205 PolarHBondContact O-N 3.27Å
203D55.3Low67.4Low109 Ų10989.5 Ų89.558%0.58348%0.481SS*.Hα-helixtrans-63.2-18.4177-67.5-32.7000114.3S199S199-D203 PolarHBondContact O-N 2.78Å
204L53.8Low66.2Low147 Ų14796.4 Ų96.477%0.7752%0.518SS*.THydrogen-bonded Turntrans-90.3-1.8176.9-80.5161.6000113.6N200 E202N200-L204 WeakPolarHBondContact O-CD1 3.32Å; N200-L204 PolarHBondContact O-N 2.91Å; E202-L204 PolarHBondContact O-N 3.01Å; E202-L204 VanDerWaalsContact O-N 3.12Å
205Q50.7Low64.8Low166 Ų16699.3 Ų99.378%0.77654%0.536SS*.  trans-103.8-6.9178.4-85174.377.200114.2G201 E202G201-Q205 PolarHBondContact O-NE2 3.31Å; G201-Q205 VanDerWaalsContact O-NE2 3.14Å; E202-Q205 PolarHBondContact O-N 3.27Å
206D38.5Very low63.1Low206 Ų20696.1 Ų96.1100%1.10253%0.527SS*.  trans-960170.4-70-28.1000111.9

Retrieved 206 of 206 residues in 1578.3 ms (Link to these results)