A0A0D9SC33_CHLSB Loading...

G-protein coupled receptor 171

G-protein coupled receptor for Big LEN, a 16-amino acid neuropeptide produced from the precursor protein, proSAAS (encoded by PCSK1N). Acts through a G(i)-alpha-mediated pathway in response to Big LEN. Big LEN-GPR171 system plays an important role in regulating feeding and metabolism. Also plays a role in modulating fear and anxiety-like behaviors in the basolateral amygdala. Big LEN-GPR171 modulates the mu-type opioid receptor signaling and antinociception. Acts as a negative regulator T cell function.

AlphaFold DB , UniProt , Accession A0A0D9SC33, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene GPR171, Length 319 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.4Very low52.5Low247 Ų247109.9 Ų109.9100%1.21759%0.588SS**  01050-70.7169.8179.500107.4N3M1-N3 PolarHBondContact O-N 3.49Å
2T34.7Very low53.6Low133 Ų133110.2 Ų110.282%0.81658%0.58SS**  trans-74.5116.8-172.740.20000110.6S4T2-S4 PolarHBondContact O-N 2.79Å
3N35.5Very low54.7Low169 Ų169110.3 Ų110.390%0.90458%0.581SS**  trans-67.780.3167.1-101.5-18.8000109.4M1 S5M1-N3 PolarHBondContact O-N 3.49Å; N3-S5 PolarHBondContact O-N 3.4Å; N3-S5 VanDerWaalsContact O-N 3.14Å
4S38.1Very low56Low82 Ų82103.3 Ų103.357%0.57354%0.544SS*.  trans-72.598162.749.10000107.7T2 F6T2-S4 PolarHBondContact O-N 2.79Å; S4-F6 PolarHBondContact O-N 3.38Å
5S45.5Very low57.3Low114 Ų114104.5 Ų104.580%0.79755%0.546SS*.  trans-52.6108161.732.40000107.7N3 F7N3-S5 PolarHBondContact O-N 3.4Å; N3-S5 VanDerWaalsContact O-N 3.14Å; S5-F7 PolarHBondContact O-N 3.47Å
6F52.3Low58.7Low192 Ų192102.8 Ų102.884%0.84254%0.543SS*.  trans-61.799.5179.5-91.6-93.9000108.9S4 C8S4-F6 PolarHBondContact O-N 3.38Å; F6-C8 PolarHBondContact O-N 3.19Å; F6-C8 VanDerWaalsContact O-N 3.12Å
7F62.9Low60.2Low132 Ų13299.4 Ų99.458%0.57952%0.523SS*.  trans-64.7107.5171.5-179.8-96.9000108.4S5 P9 N162S5-F7 PolarHBondContact O-N 3.47Å; F7-P9 HydrophobicContact CD1-CB 4.45Å; F7-P9 HydrophobicContact CE1-CB 4.01Å; F7-P9 WeakPolarHBondContact O-CD 3.47Å; F7-N162 HydrophobicContact CE2-CB 4.12Å; F7-N162 HydrophobicContact CZ-CB 3.71Å
8C66.3Low61.7Low23 Ų2394.2 Ų94.216%0.15550%0.496CS..  trans-96.6106.1178.6-170.70000110F6 V10 N162 C257F6-C8 PolarHBondContact O-N 3.19Å; F6-C8 VanDerWaalsContact O-N 3.12Å; C8-V10 VanDerWaalsContact C-N 3.28Å; C8-V10 PolarHBondContact O-N 3.01Å; C8-N162 PolarHBondContact O-ND2 3.5Å; C8-C257 VanDerWaalsContact CA-SG 3.56Å; C8-C257 HydrophobicContact CB-CB 4.02Å; C8-C257 WeakPolarHBondContact CB-SG 3.41Å; C8-C257 VanDerWaalsContact SG-CA 3.56Å; C8-C257 WeakPolarHBondContact SG-CB 3.46Å; C8-C257 CovalentContact SG-SG 2.05Å; C8-C257 PolarHBondContact SG-SG 3.26Å
9P73.2Confident63.1Low37 Ų3798.1 Ų98.124%0.2450%0.504CS..  trans-82.469.2-174.134.8-36.2000111.7F7 Y11 K12F7-P9 HydrophobicContact CD1-CB 4.45Å; F7-P9 HydrophobicContact CE1-CB 4.01Å; F7-P9 WeakPolarHBondContact O-CD 3.47Å; P9-Y11 PolarHBondContact O-N 3.29Å; P9-K12 HydrophobicContact CB-CB 4.47Å; P9-K12 HydrophobicContact CB-CD 3.65Å; P9-K12 HydrophobicContact CB-CG 3.86Å; P9-K12 HydrophobicContact CG-CD 4.37Å
10V70.1Confident64.6Low13 Ų1399.3 Ų99.38%0.07951%0.506CS..THydrogen-bonded Turntrans-60.6-31.6-177.7-179.20000112.2C8 N162 I261 F264C8-V10 VanDerWaalsContact C-N 3.28Å; C8-V10 PolarHBondContact O-N 3.01Å; V10-N162 PolarHBondContact N-OD1 2.7Å; V10-I261 HydrophobicContact CG2-CG1 4.44Å; V10-F264 HydrophobicContact CG1-CB 3.48Å; V10-F264 VanDerWaalsContact CG1-CB 3.48Å; V10-F264 HydrophobicContact CG1-CD1 3.94Å; V10-F264 HydrophobicContact CG1-CD2 3.9Å; V10-F264 HydrophobicContact CG1-CG 3.48Å; V10-F264 VanDerWaalsContact CG1-CG 3.48Å; V10-F264 WeakPolarHBondContact O-CD1 3.41Å; V10-F264 VanDerWaalsContact O-CE1 3.3Å; V10-F264 WeakPolarHBondContact O-CE1 3.17Å
11Y67.1Low66Low67 Ų6794.6 Ų94.626%0.26348%0.482SS..THydrogen-bonded Turntrans-99.727.2-172.2-51.9-75.2000114P9 L14 N162 G164 F264P9-Y11 PolarHBondContact O-N 3.29Å; Y11-L14 VanDerWaalsContact O-CD1 3.31Å; Y11-L14 WeakPolarHBondContact O-CD1 3.46Å; Y11-N162 WeakPolarHBondContact CD2-OD1 3.09Å; Y11-N162 PolarHBondContact N-OD1 2.8Å; Y11-G164 VanDerWaalsContact OH-CA 3.31Å; Y11-G164 WeakPolarHBondContact OH-CA 3.2Å; Y11-F264 HydrophobicContact CD1-CD2 4.41Å; Y11-F264 HydrophobicContact CD1-CE1 4.15Å; Y11-F264 AromaticContact CD1-CE2 3.65Å; Y11-F264 HydrophobicContact CD1-CE2 3.65Å; Y11-F264 AromaticContact CD1-CZ 3.5Å; Y11-F264 HydrophobicContact CD1-CZ 3.5Å; Y11-F264 VanDerWaalsContact CD1-CZ 3.5Å; Y11-F264 HydrophobicContact CE1-CD2 4.1Å; Y11-F264 AromaticContact CE1-CE2 3.53Å; Y11-F264 HydrophobicContact CE1-CE2 3.53Å; Y11-F264 AromaticContact CE1-CZ 3.92Å; Y11-F264 HydrophobicContact CE1-CZ 3.92Å
12K64.6Low69Low113 Ų11388.6 Ų88.649%0.49145%0.446SS..  trans-98.1154.3174.9-72-168.8-175.4-177.70112.1P9P9-K12 HydrophobicContact CB-CB 4.47Å; P9-K12 HydrophobicContact CB-CD 3.65Å; P9-K12 HydrophobicContact CB-CG 3.86Å; P9-K12 HydrophobicContact CG-CD 4.37Å
13D68.6Low71.8Confident112 Ų11286.9 Ų86.960%0.59943%0.432SS*.  trans65.541.3174.4-38.2-40.8000115.4K265D13-K265 IonicContact OD2-NZ 3.38Å; D13-K265 PolarHBondContact OD2-NZ 3.03Å
14L73.4Confident74.7Confident12 Ų1279.2 Ų79.26%0.06339%0.391CS..  trans-85.4-5.8173.6-72.7113.6000114.2Y11 P16 F17 T18 D74 F264 E268Y11-L14 VanDerWaalsContact O-CD1 3.31Å; Y11-L14 WeakPolarHBondContact O-CD1 3.46Å; L14-P16 VanDerWaalsContact C-CD 3.49Å; L14-F17 PolarHBondContact O-N 3.48Å; L14-F17 VanDerWaalsContact O-N 3.13Å; L14-T18 PolarHBondContact O-N 3.38Å; L14-T18 VanDerWaalsContact O-N 3.08Å; L14-T18 PolarHBondContact O-OG1 3.16Å; L14-D74 HydrophobicContact CB-CB 4.24Å; L14-D74 HydrophobicContact CD2-CB 4.42Å; L14-F264 HydrophobicContact CD1-CE1 4.03Å; L14-F264 HydrophobicContact CD1-CZ 4.32Å; L14-F264 HydrophobicContact CD2-CE1 4Å; L14-F264 HydrophobicContact CD2-CZ 4.02Å; L14-F264 HydrophobicContact CG-CE1 4.23Å; L14-E268 HydrophobicContact CD2-CG 3.84Å
15E74.7Confident77.5Confident122 Ų12277 Ų7757%0.5737%0.371SS*.Hα-helixtrans-52.9-45.2-176.7-66.1-177.2171.100113.5F17 T18 Y19E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3.3Å; E15-T18 VanDerWaalsContact O-CB 3.32Å; E15-T18 WeakPolarHBondContact O-CB 3.46Å; E15-T18 PolarHBondContact O-N 3.47Å; E15-T18 VanDerWaalsContact O-N 3.11Å; E15-Y19 WeakPolarHBondContact O-CD2 3.42Å; E15-Y19 PolarHBondContact O-N 3.29Å
16P79.9Confident79.9Confident76 Ų7674.7 Ų74.749%0.49435%0.35SS..Hα-helixtrans-60.8-41.5179.2-23.435.1000112.8L14 T18 F20L14-P16 VanDerWaalsContact C-CD 3.49Å; P16-T18 VanDerWaalsContact C-N 3.27Å; P16-T18 PolarHBondContact O-N 3.11Å; P16-F20 WeakPolarHBondContact O-CD2 3.4Å
17F84.3Confident82Confident46 Ų4668.9 Ų68.920%0.20233%0.33CS..Hα-helixtrans-64.9-35.6177.7-63.6-65000111.7L14 E15 Y19 F20 F21 A269 L272L14-F17 PolarHBondContact O-N 3.48Å; L14-F17 VanDerWaalsContact O-N 3.13Å; E15-F17 VanDerWaalsContact C-N 3.34Å; E15-F17 PolarHBondContact O-N 3.3Å; F17-Y19 VanDerWaalsContact C-N 3.34Å; F17-Y19 PolarHBondContact O-N 2.86Å; F17-F20 PolarHBondContact O-N 3.34Å; F17-F20 VanDerWaalsContact O-N 3.15Å; F17-F21 HydrophobicContact CB-CD2 4.3Å; F17-F21 HydrophobicContact CB-CE2 4.19Å; F17-F21 WeakPolarHBondContact O-CD2 3.44Å; F17-F21 PolarHBondContact O-N 3.03Å; F17-A269 HydrophobicContact CD1-CB 4.47Å; F17-A269 HydrophobicContact CE1-CB 3.58Å; F17-A269 HydrophobicContact CZ-CB 4.04Å; F17-L272 HydrophobicContact CD1-CD2 4.47Å
18T86.5Confident83.5Confident6 Ų662.6 Ų62.64%0.03730%0.302CS..Hα-helixtrans-60.8-41.8-177.3-55.30000112.2L14 E15 P16 F20 F21 Y22 I71 L75L14-T18 PolarHBondContact O-N 3.38Å; L14-T18 VanDerWaalsContact O-N 3.08Å; L14-T18 PolarHBondContact O-OG1 3.16Å; E15-T18 VanDerWaalsContact O-CB 3.32Å; E15-T18 WeakPolarHBondContact O-CB 3.46Å; E15-T18 PolarHBondContact O-N 3.47Å; E15-T18 VanDerWaalsContact O-N 3.11Å; P16-T18 VanDerWaalsContact C-N 3.27Å; P16-T18 PolarHBondContact O-N 3.11Å; T18-F20 VanDerWaalsContact C-N 3.29Å; T18-F20 PolarHBondContact O-N 3.28Å; T18-F21 PolarHBondContact O-N 3.39Å; T18-Y22 PolarHBondContact O-N 3.03Å; T18-I71 HydrophobicContact CG2-CB 4.38Å; T18-I71 HydrophobicContact CG2-CG2 3.72Å; T18-L75 HydrophobicContact CG2-CD1 4.35Å; T18-L75 HydrophobicContact CG2-CD2 3.7Å; T18-L75 HydrophobicContact CG2-CG 3.73Å
19Y89.3Confident84.8Confident168 Ų16864.2 Ų64.266%0.65931%0.308SS*.Hα-helixtrans-59.6-39.9176.3-69.9-73.2000112.3E15 F17 Y22 L23E15-Y19 WeakPolarHBondContact O-CD2 3.42Å; E15-Y19 PolarHBondContact O-N 3.29Å; F17-Y19 VanDerWaalsContact C-N 3.34Å; F17-Y19 PolarHBondContact O-N 2.86Å; Y19-Y22 PolarHBondContact O-N 3.28Å; Y19-L23 PolarHBondContact O-N 3.41Å
20F93.5Very high85.9Confident122 Ų12268.1 Ų68.154%0.53533%0.326SS..Hα-helixtrans-70.5-40.2176.1-65.1-73.1000112.3P16 F17 T18 Y22 L23 V24 L272P16-F20 WeakPolarHBondContact O-CD2 3.4Å; F17-F20 PolarHBondContact O-N 3.34Å; F17-F20 VanDerWaalsContact O-N 3.15Å; T18-F20 VanDerWaalsContact C-N 3.29Å; T18-F20 PolarHBondContact O-N 3.28Å; F20-Y22 VanDerWaalsContact C-N 3.25Å; F20-Y22 PolarHBondContact O-N 2.97Å; F20-L23 PolarHBondContact O-N 3.48Å; F20-V24 WeakPolarHBondContact O-CG2 2.92Å; F20-V24 PolarHBondContact O-N 3.31Å; F20-L272 HydrophobicContact CB-CD1 3.71Å; F20-L272 HydrophobicContact CB-CD2 3.42Å; F20-L272 VanDerWaalsContact CB-CD2 3.42Å; F20-L272 HydrophobicContact CB-CG 4.16Å; F20-L272 HydrophobicContact CD2-CD2 4.21Å; F20-L272 HydrophobicContact CG-CD2 3.97Å
21F93.8Very high87Confident0 Ų068 Ų680%033%0.328CS..Hα-helixtrans-58.5-39.8173.1-82.7-72.7000111.5F17 T18 F25 L67 K70 I71 L271 L272 V275F17-F21 HydrophobicContact CB-CD2 4.3Å; F17-F21 HydrophobicContact CB-CE2 4.19Å; F17-F21 WeakPolarHBondContact O-CD2 3.44Å; F17-F21 PolarHBondContact O-N 3.03Å; T18-F21 PolarHBondContact O-N 3.39Å; F21-F25 WeakPolarHBondContact O-CB 3.3Å; F21-F25 PolarHBondContact O-N 3.11Å; F21-L67 HydrophobicContact CD1-CD2 3.96Å; F21-K70 HydrophobicContact CD1-CD 4.07Å; F21-K70 HydrophobicContact CE1-CD 3.85Å; F21-K70 HydrophobicContact CZ-CD 4.17Å; F21-K70 VanDerWaalsContact CZ-CE 3.46Å; F21-I71 HydrophobicContact CB-CD1 4.31Å; F21-I71 HydrophobicContact CB-CG1 3.95Å; F21-L271 HydrophobicContact CZ-CG 4.39Å; F21-L272 HydrophobicContact CB-CD1 4.49Å; F21-L272 HydrophobicContact CD1-CD1 3.92Å; F21-L272 HydrophobicContact CD2-CD1 4.06Å; F21-L272 HydrophobicContact CE1-CB 4.3Å; F21-L272 HydrophobicContact CE1-CD1 4.08Å; F21-L272 HydrophobicContact CE2-CB 4.06Å; F21-L272 HydrophobicContact CE2-CD1 4.18Å; F21-L272 HydrophobicContact CG-CD1 3.89Å; F21-L272 HydrophobicContact CZ-CB 3.8Å; F21-L272 HydrophobicContact CZ-CD1 4.19Å; F21-V275 HydrophobicContact CD1-CG2 3.7Å; F21-V275 HydrophobicContact CE1-CB 4.47Å; F21-V275 HydrophobicContact CE1-CG1 4.23Å; F21-V275 HydrophobicContact CE1-CG2 3.44Å; F21-V275 VanDerWaalsContact CE1-CG2 3.44Å
22Y94.4Very high88.2Confident121 Ų12164.9 Ų64.948%0.47532%0.316SS..Hα-helixtrans-65-44.4175.2179.3-102.4000112.4T18 Y19 F20 F25 L26T18-Y22 PolarHBondContact O-N 3.03Å; Y19-Y22 PolarHBondContact O-N 3.28Å; F20-Y22 VanDerWaalsContact C-N 3.25Å; F20-Y22 PolarHBondContact O-N 2.97Å; Y22-F25 WeakPolarHBondContact O-CB 3.16Å; Y22-F25 PolarHBondContact O-N 2.82Å; Y22-L26 HydrophobicContact CD1-CD1 4.05Å; Y22-L26 HydrophobicContact CD1-CG 4.46Å; Y22-L26 HydrophobicContact CE1-CD1 3.39Å; Y22-L26 HydrophobicContact CE1-CG 4.03Å; Y22-L26 HydrophobicContact CE2-CD2 4.45Å; Y22-L26 HydrophobicContact CE2-CG 4.38Å; Y22-L26 PolarHBondContact O-N 3.38Å
23L95Very high89.6Confident97 Ų9762.6 Ų62.651%0.50831%0.313SS..Hα-helixtrans-60.7-46.7175.6-174153.8000111.4Y19 F20 F25 L26 V27Y19-L23 PolarHBondContact O-N 3.41Å; F20-L23 PolarHBondContact O-N 3.48Å; L23-F25 VanDerWaalsContact C-N 3.29Å; L23-F25 PolarHBondContact O-N 2.7Å; L23-L26 PolarHBondContact O-N 3.21Å; L23-V27 HydrophobicContact CD2-CG2 4.04Å; L23-V27 WeakPolarHBondContact O-CG2 3Å; L23-V27 PolarHBondContact O-N 2.95Å
24V96Very high90.8Very high8 Ų858.8 Ų58.85%0.04829%0.292CS..Hα-helixtrans-60.1-41176.3170.20000111F20 G28 L272 V275 L278F20-V24 WeakPolarHBondContact O-CG2 2.92Å; F20-V24 PolarHBondContact O-N 3.31Å; V24-G28 WeakPolarHBondContact O-CA 3.34Å; V24-G28 PolarHBondContact O-N 2.87Å; V24-L272 HydrophobicContact CG2-CD1 4.24Å; V24-V275 HydrophobicContact CG1-CG2 4.15Å; V24-V275 VanDerWaalsContact CG1-O 3.28Å; V24-V275 WeakPolarHBondContact CG1-O 3.38Å; V24-L278 HydrophobicContact CG1-CB 4.47Å; V24-L278 HydrophobicContact CG1-CD1 4.34Å
25F96.6Very high91.7Very high37 Ų3758.2 Ų58.216%0.16229%0.289CS..Hα-helixtrans-59.9-47.2175.1167.9-105000112.1F21 Y22 L23 G28 I29 T64 L67 P68 I71F21-F25 WeakPolarHBondContact O-CB 3.3Å; F21-F25 PolarHBondContact O-N 3.11Å; Y22-F25 WeakPolarHBondContact O-CB 3.16Å; Y22-F25 PolarHBondContact O-N 2.82Å; L23-F25 VanDerWaalsContact C-N 3.29Å; L23-F25 PolarHBondContact O-N 2.7Å; F25-G28 PolarHBondContact O-N 3.38Å; F25-I29 HydrophobicContact CE2-CD1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 4.02Å; F25-I29 WeakPolarHBondContact O-CB 3.34Å; F25-I29 WeakPolarHBondContact O-CG2 3.44Å; F25-I29 PolarHBondContact O-N 2.9Å; F25-T64 VanDerWaalsContact CE2-O 3.3Å; F25-T64 WeakPolarHBondContact CE2-O 3.04Å; F25-L67 HydrophobicContact CB-CB 4.27Å; F25-L67 HydrophobicContact CB-CD1 3.93Å; F25-L67 HydrophobicContact CD2-CB 4.02Å; F25-L67 HydrophobicContact CD2-CD1 4.36Å; F25-L67 HydrophobicContact CG-CB 4.47Å; F25-P68 HydrophobicContact CD2-CG 4.29Å; F25-P68 HydrophobicContact CE2-CG 3.77Å; F25-P68 HydrophobicContact CZ-CG 3.95Å; F25-I71 HydrophobicContact CB-CD1 4.48Å
26L96.2Very high92.5Very high65 Ų6554.3 Ų54.334%0.3427%0.273SS..Hα-helixtrans-63.8-48.4179.6-71.7-178.1000112.4Y22 L23 G28 I29 I30Y22-L26 HydrophobicContact CD1-CD1 4.05Å; Y22-L26 HydrophobicContact CD1-CG 4.46Å; Y22-L26 HydrophobicContact CE1-CD1 3.39Å; Y22-L26 HydrophobicContact CE1-CG 4.03Å; Y22-L26 HydrophobicContact CE2-CD2 4.45Å; Y22-L26 HydrophobicContact CE2-CG 4.38Å; Y22-L26 PolarHBondContact O-N 3.38Å; L23-L26 PolarHBondContact O-N 3.21Å; L26-G28 VanDerWaalsContact C-N 3.34Å; L26-I29 WeakPolarHBondContact O-CG2 3.4Å; L26-I30 WeakPolarHBondContact O-CD1 3.11Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.08Å
27V95.3Very high93Very high70 Ų7057.3 Ų57.342%0.42428%0.275SS..Hα-helixtrans-64.8-43.8178.8175.90000110.2L23 G31 C279L23-V27 HydrophobicContact CD2-CG2 4.04Å; L23-V27 WeakPolarHBondContact O-CG2 3Å; L23-V27 PolarHBondContact O-N 2.95Å; V27-G31 PolarHBondContact O-N 3.15Å; V27-C279 HydrophobicContact CG1-CB 4.08Å; V27-C279 VanDerWaalsContact CG1-SG 3.59Å
28G94.4Very high93.2Very high0 Ų055.1 Ų55.10%027%0.265CS..Hα-helixtrans-60.5-51.6179.500000112.7V24 F25 L26 I30 G31 S32V24-G28 WeakPolarHBondContact O-CA 3.34Å; V24-G28 PolarHBondContact O-N 2.87Å; F25-G28 PolarHBondContact O-N 3.38Å; L26-G28 VanDerWaalsContact C-N 3.34Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 2.94Å; G28-G31 PolarHBondContact O-N 3.29Å; G28-S32 WeakPolarHBondContact O-CB 2.98Å; G28-S32 PolarHBondContact O-N 2.93Å; G28-S32 PolarHBondContact O-OG 3.37Å; G28-S32 VanDerWaalsContact O-OG 3.05Å
29I94.9Very high93.3Very high56 Ų5655.5 Ų55.529%0.28727%0.266SS..Hα-helixtrans-63.6-40.8-178.1-160173.7000111.6F25 L26 C33 T64F25-I29 HydrophobicContact CE2-CD1 4.16Å; F25-I29 HydrophobicContact CZ-CD1 4.02Å; F25-I29 WeakPolarHBondContact O-CB 3.34Å; F25-I29 WeakPolarHBondContact O-CG2 3.44Å; F25-I29 PolarHBondContact O-N 2.9Å; L26-I29 WeakPolarHBondContact O-CG2 3.4Å; I29-C33 VanDerWaalsContact O-CB 3.23Å; I29-C33 WeakPolarHBondContact O-CB 3.28Å; I29-C33 PolarHBondContact O-N 3.34Å; I29-C33 PolarHBondContact O-SG 3.36Å; I29-T64 HydrophobicContact CB-CG2 4.39Å
30I95.1Very high93.2Very high119 Ų11953.8 Ų53.861%0.6127%0.267SS*.Hα-helixtrans-61.8-48.5176.3-66.8167.9000110L26 G28 F34L26-I30 WeakPolarHBondContact O-CD1 3.11Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.08Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 2.94Å; I30-F34 WeakPolarHBondContact O-CB 3.46Å; I30-F34 PolarHBondContact O-N 2.96Å
31G92.7Very high92.7Very high12 Ų1252.7 Ų52.712%0.12426%0.264CS..Hα-helixtrans-61.6-47.5179.300000113.2V27 G28 F34 A35V27-G31 PolarHBondContact O-N 3.15Å; G28-G31 PolarHBondContact O-N 3.29Å; G31-F34 PolarHBondContact O-N 3.33Å; G31-A35 WeakPolarHBondContact O-CB 3.4Å; G31-A35 PolarHBondContact O-N 3.24Å
32S93.8Very high92Very high0 Ų056.9 Ų56.90%028%0.282CS..Hα-helixtrans-66.7-42.7179.2-59.90000112G28 F34 A35 T36G28-S32 WeakPolarHBondContact O-CB 2.98Å; G28-S32 PolarHBondContact O-N 2.93Å; G28-S32 PolarHBondContact O-OG 3.37Å; G28-S32 VanDerWaalsContact O-OG 3.05Å; S32-F34 VanDerWaalsContact C-N 3.35Å; S32-F34 PolarHBondContact O-N 3.43Å; S32-A35 WeakPolarHBondContact O-CB 3.41Å; S32-A35 PolarHBondContact O-N 2.88Å; S32-T36 PolarHBondContact O-N 3.03Å; S32-T36 PolarHBondContact O-OG1 2.93Å
33C94Very high90.8Very high65 Ų6555.9 Ų55.944%0.43929%0.285SS..Hα-helixtrans-60.9-43.9175.1-75.60000111.9I29 A35 T36 W37I29-C33 VanDerWaalsContact O-CB 3.23Å; I29-C33 WeakPolarHBondContact O-CB 3.28Å; I29-C33 PolarHBondContact O-N 3.34Å; I29-C33 PolarHBondContact O-SG 3.36Å; C33-A35 VanDerWaalsContact C-N 3.34Å; C33-A35 PolarHBondContact O-N 3.42Å; C33-T36 PolarHBondContact O-N 3.45Å; C33-W37 PolarHBondContact O-N 3.26Å; C33-W37 VanDerWaalsContact O-N 3.07Å
34F93.3Very high89.6Confident33 Ų3352 Ų5215%0.14527%0.265CS..Hα-helixtrans-63.1-40.5175.7-175.5-88.6000111.8I30 G31 S32 W37 A38 F292 K295 V296 T299 F300I30-F34 WeakPolarHBondContact O-CB 3.46Å; I30-F34 PolarHBondContact O-N 2.96Å; G31-F34 PolarHBondContact O-N 3.33Å; S32-F34 VanDerWaalsContact C-N 3.35Å; S32-F34 PolarHBondContact O-N 3.43Å; F34-W37 HydrophobicContact CD2-CE3 4.47Å; F34-W37 PolarHBondContact O-N 2.9Å; F34-A38 PolarHBondContact O-N 3.15Å; F34-F292 HydrophobicContact CD1-CD2 4.41Å; F34-F292 AromaticContact CD1-CE2 3.6Å; F34-F292 HydrophobicContact CD1-CE2 3.6Å; F34-F292 AromaticContact CD1-CZ 3.67Å; F34-F292 HydrophobicContact CD1-CZ 3.67Å; F34-F292 HydrophobicContact CE1-CE1 4.38Å; F34-F292 HydrophobicContact CE1-CE2 4.01Å; F34-F292 AromaticContact CE1-CZ 3.95Å; F34-F292 HydrophobicContact CE1-CZ 3.95Å; F34-K295 HydrophobicContact CZ-CB 4.45Å; F34-K295 HydrophobicContact CZ-CG 3.98Å; F34-V296 HydrophobicContact CD1-CG2 4.45Å; F34-V296 HydrophobicContact CE1-CB 4.48Å; F34-V296 HydrophobicContact CE1-CG2 3.42Å; F34-V296 VanDerWaalsContact CE1-CG2 3.42Å; F34-V296 HydrophobicContact CZ-CG2 3.87Å; F34-T299 HydrophobicContact CE2-CG2 4.33Å; F34-F300 AromaticContact CE2-CE2 3.85Å; F34-F300 HydrophobicContact CE2-CE2 3.85Å; F34-F300 HydrophobicContact CE2-CZ 4.44Å; F34-F300 AromaticContact CZ-CE2 3.97Å; F34-F300 HydrophobicContact CZ-CE2 3.97Å
35A91.9Very high88.2Confident0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-61.2-44.617600000112.9G31 S32 C33 W37 A38 F39 L57 Y285 F292G31-A35 WeakPolarHBondContact O-CB 3.4Å; G31-A35 PolarHBondContact O-N 3.24Å; S32-A35 WeakPolarHBondContact O-CB 3.41Å; S32-A35 PolarHBondContact O-N 2.88Å; C33-A35 VanDerWaalsContact C-N 3.34Å; C33-A35 PolarHBondContact O-N 3.42Å; A35-W37 VanDerWaalsContact C-N 3.34Å; A35-W37 PolarHBondContact O-N 3.04Å; A35-A38 PolarHBondContact O-N 3.38Å; A35-F39 WeakPolarHBondContact O-CG 3.42Å; A35-F39 PolarHBondContact O-N 3.46Å; A35-L57 HydrophobicContact CB-CD1 3.83Å; A35-L57 HydrophobicContact CB-CD2 3.92Å; A35-Y285 HydrophobicContact CB-CD2 3.67Å; A35-Y285 HydrophobicContact CB-CE2 3.94Å; A35-F292 VanDerWaalsContact CA-CE2 3.42Å; A35-F292 HydrophobicContact CB-CD2 3.94Å; A35-F292 HydrophobicContact CB-CE2 3.56Å
36T91.2Very high87.1Confident39 Ų3960.1 Ų60.124%0.23931%0.305CS..Hα-helixtrans-58.2-47.6175.4-64.70000111.2S32 C33 A38 F39 I40 F61S32-T36 PolarHBondContact O-N 3.03Å; S32-T36 PolarHBondContact O-OG1 2.93Å; C33-T36 PolarHBondContact O-N 3.45Å; T36-A38 VanDerWaalsContact C-N 3.31Å; T36-A38 PolarHBondContact O-N 3.24Å; T36-F39 PolarHBondContact O-N 3.32Å; T36-I40 HydrophobicContact CG2-CD1 3.52Å; T36-I40 HydrophobicContact CG2-CG1 4.24Å; T36-I40 WeakPolarHBondContact O-CB 3.45Å; T36-I40 VanDerWaalsContact O-CG1 3.28Å; T36-I40 WeakPolarHBondContact O-CG1 3.25Å; T36-I40 PolarHBondContact O-N 3.42Å; T36-F61 WeakPolarHBondContact OG1-CE2 3.39Å; T36-F61 WeakPolarHBondContact OG1-CZ 3.25Å
37W90.7Very high86.5Confident140 Ų14061.4 Ų61.453%0.5331%0.305SS..Hα-helixtrans-58.4-45.2178.2-175.916.6000111.6C33 F34 A35 Q41C33-W37 PolarHBondContact O-N 3.26Å; C33-W37 VanDerWaalsContact O-N 3.07Å; F34-W37 HydrophobicContact CD2-CE3 4.47Å; F34-W37 PolarHBondContact O-N 2.9Å; A35-W37 VanDerWaalsContact C-N 3.34Å; A35-W37 PolarHBondContact O-N 3.04Å; W37-Q41 WeakPolarHBondContact O-CB 3.25Å; W37-Q41 PolarHBondContact O-N 2.95Å; W37-Q41 VanDerWaalsContact O-N 3.15Å
38A89.4Confident86.1Confident0 Ų058.3 Ų58.30%029%0.287CS..Hα-helixtrans-64.8-41179.100000113.3F34 A35 T36 K42 F292 K295F34-A38 PolarHBondContact O-N 3.15Å; A35-A38 PolarHBondContact O-N 3.38Å; T36-A38 VanDerWaalsContact C-N 3.31Å; T36-A38 PolarHBondContact O-N 3.24Å; A38-K42 PolarHBondContact O-N 3.03Å; A38-F292 HydrophobicContact CB-CD2 4.07Å; A38-K295 HydrophobicContact CB-CB 3.69Å; A38-K295 HydrophobicContact CB-CG 3.89Å
39F88.6Confident85.8Confident13 Ų1358.4 Ų58.46%0.05729%0.287CS..Hα-helixtrans-73.4-37.5-179-68.1-18.3000113A35 T36 T44 L53 I54 L57 Y285 S289 F292A35-F39 WeakPolarHBondContact O-CG 3.42Å; A35-F39 PolarHBondContact O-N 3.46Å; T36-F39 PolarHBondContact O-N 3.32Å; F39-T44 HydrophobicContact CD1-CG2 4.05Å; F39-L53 HydrophobicContact CE2-CB 4.36Å; F39-L53 HydrophobicContact CZ-CB 4.26Å; F39-I54 HydrophobicContact CD2-CG1 3.93Å; F39-I54 HydrophobicContact CE2-CG1 4.43Å; F39-I54 HydrophobicContact CG-CG1 4.49Å; F39-L57 HydrophobicContact CD2-CD2 3.59Å; F39-L57 HydrophobicContact CE2-CD2 3.87Å; F39-Y285 HydrophobicContact CE2-CD1 4.47Å; F39-Y285 HydrophobicContact CZ-CD1 4.07Å; F39-Y285 HydrophobicContact CZ-CG 4.06Å; F39-S289 WeakPolarHBondContact CE1-OG 3.42Å; F39-F292 HydrophobicContact CE1-CB 3.92Å; F39-F292 HydrophobicContact CE1-CD2 4.48Å
40I87Confident85.6Confident132 Ų13255.9 Ų55.968%0.67727%0.274SS*.Hα-helixtrans-64.1-46.1175.1-68.4173000110.3T36 K42T36-I40 HydrophobicContact CG2-CD1 3.52Å; T36-I40 HydrophobicContact CG2-CG1 4.24Å; T36-I40 WeakPolarHBondContact O-CB 3.45Å; T36-I40 VanDerWaalsContact O-CG1 3.28Å; T36-I40 WeakPolarHBondContact O-CG1 3.25Å; T36-I40 PolarHBondContact O-N 3.42Å; I40-K42 PolarHBondContact O-N 3.07Å
41Q83.4Confident85.6Confident100 Ų10050.6 Ų50.647%0.46725%0.247SC..Hα-helixtrans-69.4-31.5-173.5-167.8178.413.400113.8W37 K295W37-Q41 WeakPolarHBondContact O-CB 3.25Å; W37-Q41 PolarHBondContact O-N 2.95Å; W37-Q41 VanDerWaalsContact O-N 3.15Å; Q41-K295 VanDerWaalsContact OE1-CE 3.26Å
42K78.4Confident85.7Confident88 Ų8850.4 Ų50.438%0.38324%0.243SC..THydrogen-bonded Turntrans-105.611.4-170.6-65.2-73.7-174.6-178.40114.3A38 I40 T44 A291 E298A38-K42 PolarHBondContact O-N 3.03Å; I40-K42 PolarHBondContact O-N 3.07Å; K42-T44 HydrophobicContact CB-CG2 4.39Å; K42-T44 PolarHBondContact O-N 3.38Å; K42-A291 HydrophobicContact CB-CB 3.48Å; K42-A291 VanDerWaalsContact CB-CB 3.48Å; K42-A291 HydrophobicContact CG-CB 3.95Å; K42-E298 IonicContact NZ-OE2 3.74Å
43N70.1Confident85.7Confident100 Ų10050.4 Ų50.454%0.53524%0.243SC..THydrogen-bonded Turntrans36.274.4-178-167.610.7000113.8N45 H46N43-N45 VanDerWaalsContact C-N 3.33Å; N43-N45 PolarHBondContact O-N 3.49Å; N43-H46 PolarHBondContact O-CD2 2.93Å; N43-H46 VanDerWaalsContact O-CD2 3.31Å
44T68.9Low85.7Confident15 Ų1549.5 Ų49.59%0.09223%0.233CC..  trans-83.93.4-168.150.30000115.7F39 K42 H46 S50 A291F39-T44 HydrophobicContact CD1-CG2 4.05Å; K42-T44 HydrophobicContact CB-CG2 4.39Å; K42-T44 PolarHBondContact O-N 3.38Å; T44-H46 PolarHBondContact O-N 3.22Å; T44-S50 WeakPolarHBondContact O-CB 3.36Å; T44-S50 PolarHBondContact O-OG 2.94Å; T44-A291 HydrophobicContact CG2-CB 3.16Å
45N66.3Low85.9Confident72 Ų7249.2 Ų49.239%0.38523%0.233SC..THydrogen-bonded Turntrans-747.6-166.6-73.8-13.2000115.8N43 I54N43-N45 VanDerWaalsContact C-N 3.33Å; N43-N45 PolarHBondContact O-N 3.49Å; N45-I54 WeakPolarHBondContact OD1-CD1 3.41Å
46H72.8Confident86Confident143 Ų14349.2 Ų49.266%0.66223%0.233SC*.THydrogen-bonded Turntrans-85.5-10.8-176.6-60.4-75.5000114.3N43 T44N43-H46 PolarHBondContact O-CD2 2.93Å; N43-H46 VanDerWaalsContact O-CD2 3.31Å; T44-H46 PolarHBondContact O-N 3.22Å
47R83.5Confident86.3Confident93 Ų9347.8 Ų47.835%0.35122%0.224SC..SBendtrans-123.7139.6-178.8-61.4-173.5-62.3161.98.1111.8V49 S50 I51R47-V49 HydrophobicContact CB-CG1 4.29Å; R47-V49 PolarHBondContact O-N 3.06Å; R47-S50 WeakPolarHBondContact O-CB 3.31Å; R47-S50 PolarHBondContact O-N 3.42Å; R47-I51 PolarHBondContact O-N 3.47Å
48C87.5Confident86.5Confident5 Ų544.1 Ų44.13%0.03422%0.217CC..Hα-helixtrans-48.4-52.2175.8176.20000112.5S50 I51 Y52 Q126 A131C48-S50 PolarHBondContact O-N 3.32Å; C48-S50 VanDerWaalsContact O-N 3.14Å; C48-I51 WeakPolarHBondContact O-CB 3.21Å; C48-I51 PolarHBondContact O-N 3.04Å; C48-Y52 PolarHBondContact O-N 3.38Å; C48-Y52 WeakPolarHBondContact SG-CE2 3.49Å; C48-Y52 PolarHBondContact SG-OH 2.86Å; C48-Y52 VanDerWaalsContact SG-OH 3.36Å; C48-Q126 VanDerWaalsContact CB-O 3.25Å; C48-Q126 WeakPolarHBondContact CB-O 3.47Å; C48-A131 HydrophobicContact CB-CB 4.15Å; C48-A131 VanDerWaalsContact SG-CB 3.58Å
49V88.8Confident86.9Confident2 Ų244.1 Ų44.11%0.01222%0.217CC..Hα-helixtrans-56.1-34.4176.774.60000113.9R47 I51 Y52 L53 V108 D111 L288R47-V49 HydrophobicContact CB-CG1 4.29Å; R47-V49 PolarHBondContact O-N 3.06Å; V49-I51 VanDerWaalsContact C-N 3.31Å; V49-I51 PolarHBondContact O-N 3.35Å; V49-Y52 PolarHBondContact O-N 3.41Å; V49-L53 HydrophobicContact CG2-CD1 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.44Å; V49-L53 PolarHBondContact O-N 2.93Å; V49-V108 HydrophobicContact CG2-CG1 4.39Å; V49-V108 HydrophobicContact CG2-CG2 4.25Å; V49-D111 WeakPolarHBondContact CB-OD2 3.49Å; V49-L288 HydrophobicContact CG2-CD1 4.44Å
50S91Very high87.3Confident2 Ų243.5 Ų43.51%0.01421%0.214CC..Hα-helixtrans-71-31.3-178.5-55.70000111.3T44 R47 C48 L53 I54T44-S50 WeakPolarHBondContact O-CB 3.36Å; T44-S50 PolarHBondContact O-OG 2.94Å; R47-S50 WeakPolarHBondContact O-CB 3.31Å; R47-S50 PolarHBondContact O-N 3.42Å; C48-S50 PolarHBondContact O-N 3.32Å; C48-S50 VanDerWaalsContact O-N 3.14Å; S50-L53 PolarHBondContact O-N 3.08Å; S50-I54 WeakPolarHBondContact O-CD1 3.17Å; S50-I54 VanDerWaalsContact O-CG1 3.25Å; S50-I54 WeakPolarHBondContact O-CG1 3.47Å; S50-I54 PolarHBondContact O-N 3.42Å
51I93.7Very high87.7Confident9 Ų940.1 Ų40.15%0.04620%0.195CC..Hα-helixtrans-66.8-44.5173.2-66.4157.1000110.4R47 C48 V49 L53 I54 N55 P128 A131 K132R47-I51 PolarHBondContact O-N 3.47Å; C48-I51 WeakPolarHBondContact O-CB 3.21Å; C48-I51 PolarHBondContact O-N 3.04Å; V49-I51 VanDerWaalsContact C-N 3.31Å; V49-I51 PolarHBondContact O-N 3.35Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.47Å; I51-I54 PolarHBondContact O-N 3.14Å; I51-N55 PolarHBondContact O-N 3.33Å; I51-N55 PolarHBondContact O-ND2 3.01Å; I51-P128 HydrophobicContact CD1-CB 3.5Å; I51-P128 VanDerWaalsContact CD1-O 3.25Å; I51-P128 WeakPolarHBondContact CD1-O 3.23Å; I51-A131 HydrophobicContact CB-CB 4.08Å; I51-A131 HydrophobicContact CD1-CB 3.81Å; I51-A131 HydrophobicContact CG2-CB 4.08Å; I51-K132 HydrophobicContact CD1-CG 3.98Å; I51-K132 HydrophobicContact CG2-CG 4.26Å
52Y94.7Very high88.3Confident8 Ų837.7 Ų37.73%0.03119%0.185CC..Hα-helixtrans-61.8-41.1176.2-58.3-36.7000112.4C48 V49 I54 N55 L56 F104 F107 V108 A131 I134C48-Y52 PolarHBondContact O-N 3.38Å; C48-Y52 WeakPolarHBondContact SG-CE2 3.49Å; C48-Y52 PolarHBondContact SG-OH 2.86Å; C48-Y52 VanDerWaalsContact SG-OH 3.36Å; V49-Y52 PolarHBondContact O-N 3.41Å; Y52-I54 PolarHBondContact O-N 3.27Å; Y52-N55 PolarHBondContact O-N 2.83Å; Y52-L56 WeakPolarHBondContact O-CB 3.38Å; Y52-L56 PolarHBondContact O-N 3.07Å; Y52-F104 AromaticContact CD1-CD1 3.92Å; Y52-F104 HydrophobicContact CD1-CD1 3.92Å; Y52-F104 HydrophobicContact CD1-CE1 4.21Å; Y52-F104 HydrophobicContact CG-CD1 4.42Å; Y52-F107 HydrophobicContact CD1-CB 4.3Å; Y52-F107 HydrophobicContact CD1-CD2 4.23Å; Y52-F107 HydrophobicContact CD2-CB 3.85Å; Y52-F107 HydrophobicContact CE1-CB 4.19Å; Y52-F107 AromaticContact CE1-CD2 3.91Å; Y52-F107 HydrophobicContact CE1-CD2 3.91Å; Y52-F107 HydrophobicContact CE1-CG 4.41Å; Y52-F107 HydrophobicContact CE2-CB 3.72Å; Y52-F107 HydrophobicContact CG-CB 4.16Å; Y52-V108 HydrophobicContact CD2-CG2 4.4Å; Y52-A131 HydrophobicContact CE1-CB 3.87Å; Y52-I134 HydrophobicContact CE1-CG2 3.89Å
53L94.2Very high89.2Confident0 Ų033.5 Ų33.50%017%0.166CC..Hα-helixtrans-67.3-34.2176.8-61.6174000112.8F39 V49 S50 I51 L56 L57 V108 L284 Y285 L288F39-L53 HydrophobicContact CE2-CB 4.36Å; F39-L53 HydrophobicContact CZ-CB 4.26Å; V49-L53 HydrophobicContact CG2-CD1 4.42Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.44Å; V49-L53 PolarHBondContact O-N 2.93Å; S50-L53 PolarHBondContact O-N 3.08Å; I51-L53 VanDerWaalsContact C-N 3.34Å; I51-L53 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 3.02Å; L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 PolarHBondContact O-N 3.3Å; L53-V108 HydrophobicContact CD2-CG2 4.1Å; L53-L284 HydrophobicContact CD2-CD2 4.01Å; L53-L284 HydrophobicContact CD2-CG 4.28Å; L53-Y285 HydrophobicContact CB-CD1 4Å; L53-Y285 HydrophobicContact CB-CE1 3.88Å; L53-Y285 HydrophobicContact CD1-CD1 4.24Å; L53-Y285 HydrophobicContact CD2-CD1 3.81Å; L53-Y285 HydrophobicContact CD2-CE1 3.82Å; L53-Y285 HydrophobicContact CG-CD1 4.18Å; L53-Y285 HydrophobicContact CG-CE1 4.32Å; L53-L288 HydrophobicContact CD1-CB 3.83Å; L53-L288 HydrophobicContact CD2-CD1 4.04Å
54I94.3Very high90.4Very high46 Ų4629 Ų2924%0.23614%0.143CC..Hα-helixtrans-67.7-39.5174-71.2163.7000111F39 N45 S50 I51 Y52 L57 T58F39-I54 HydrophobicContact CD2-CG1 3.93Å; F39-I54 HydrophobicContact CE2-CG1 4.43Å; F39-I54 HydrophobicContact CG-CG1 4.49Å; N45-I54 WeakPolarHBondContact OD1-CD1 3.41Å; S50-I54 WeakPolarHBondContact O-CD1 3.17Å; S50-I54 VanDerWaalsContact O-CG1 3.25Å; S50-I54 WeakPolarHBondContact O-CG1 3.47Å; S50-I54 PolarHBondContact O-N 3.42Å; I51-I54 PolarHBondContact O-N 3.14Å; Y52-I54 PolarHBondContact O-N 3.27Å; I54-L57 PolarHBondContact O-N 3.05Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 3.11Å; I54-T58 PolarHBondContact O-OG1 3.2Å
55N96.5Very high91.6Very high27 Ų2734.1 Ų34.114%0.14417%0.169CC..Hα-helixtrans-67.2-39.5175.8-77.7-86.3000111.8I51 Y52 T58 A59 F104 S135 W139I51-N55 PolarHBondContact O-N 3.33Å; I51-N55 PolarHBondContact O-ND2 3.01Å; Y52-N55 PolarHBondContact O-N 2.83Å; N55-T58 WeakPolarHBondContact O-CB 3.49Å; N55-T58 PolarHBondContact O-N 2.88Å; N55-A59 PolarHBondContact O-N 3.21Å; N55-F104 HydrophobicContact CB-CD1 4.13Å; N55-F104 HydrophobicContact CB-CD2 3.92Å; N55-F104 HydrophobicContact CB-CE1 3.68Å; N55-F104 HydrophobicContact CB-CE2 3.46Å; N55-F104 VanDerWaalsContact CB-CE2 3.46Å; N55-F104 HydrophobicContact CB-CG 4.26Å; N55-F104 HydrophobicContact CB-CZ 3.34Å; N55-S135 PolarHBondContact ND2-OG 3.38Å; N55-W139 PolarHBondContact OD1-NE1 3.19Å
56L95.8Very high93Very high0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-58.1-51.2172.1-171.463.9000110.5Y52 L53 T58 A59 D60 S101 L105 D281 L284 Y285Y52-L56 WeakPolarHBondContact O-CB 3.38Å; Y52-L56 PolarHBondContact O-N 3.07Å; L53-L56 PolarHBondContact O-N 3.02Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.46Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 WeakPolarHBondContact O-CA 3.42Å; L56-A59 WeakPolarHBondContact O-CB 3.25Å; L56-A59 PolarHBondContact O-N 3.36Å; L56-D60 PolarHBondContact O-N 3.35Å; L56-S101 VanDerWaalsContact CD1-CA 3.46Å; L56-S101 WeakPolarHBondContact CD1-OG 3.45Å; L56-L105 HydrophobicContact CD2-CD2 4.02Å; L56-D281 HydrophobicContact CD2-CB 4.41Å; L56-D281 WeakPolarHBondContact CD2-OD1 3.35Å; L56-L284 HydrophobicContact CD2-CD2 3.92Å; L56-Y285 HydrophobicContact CD2-CE1 4.06Å; L56-Y285 WeakPolarHBondContact CG-OH 3.18Å
57L96.1Very high94.1Very high8 Ų824 Ų244%0.04212%0.12CC..Hα-helixtrans-58.5-37.6176.3178.961.1000112.9A35 F39 L53 I54 D60 F61 Y285A35-L57 HydrophobicContact CB-CD1 3.83Å; A35-L57 HydrophobicContact CB-CD2 3.92Å; F39-L57 HydrophobicContact CD2-CD2 3.59Å; F39-L57 HydrophobicContact CE2-CD2 3.87Å; L53-L57 VanDerWaalsContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.12Å; L53-L57 PolarHBondContact O-N 3.3Å; I54-L57 PolarHBondContact O-N 3.05Å; L57-D60 WeakPolarHBondContact O-CB 3.39Å; L57-D60 PolarHBondContact O-N 3.48Å; L57-F61 HydrophobicContact CD1-CD2 4.3Å; L57-F61 HydrophobicContact CD1-CE2 3.69Å; L57-F61 HydrophobicContact CD1-CZ 4.38Å; L57-F61 HydrophobicContact CD2-CE2 4.44Å; L57-F61 HydrophobicContact CG-CD2 4.27Å; L57-F61 HydrophobicContact CG-CE2 3.8Å; L57-F61 WeakPolarHBondContact O-CD2 3.37Å; L57-F61 PolarHBondContact O-N 3.47Å; L57-F61 VanDerWaalsContact O-N 3.09Å; L57-Y285 WeakPolarHBondContact CA-OH 3.33Å; L57-Y285 HydrophobicContact CD1-CE2 4.23Å; L57-Y285 PolarHBondContact N-OH 3.32Å; L57-Y285 VanDerWaalsContact N-OH 3.16Å
58T96.3Very high94.7Very high64 Ų6421.9 Ų21.939%0.39312%0.118SC..Hα-helixtrans-65.3-42.2175.8-56.20000110.9I54 N55 L56 D60 F61 L62 W139I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 3.11Å; I54-T58 PolarHBondContact O-OG1 3.2Å; N55-T58 WeakPolarHBondContact O-CB 3.49Å; N55-T58 PolarHBondContact O-N 2.88Å; L56-T58 VanDerWaalsContact C-N 3.27Å; L56-T58 PolarHBondContact O-N 3.46Å; T58-D60 VanDerWaalsContact C-N 3.3Å; T58-D60 PolarHBondContact O-N 3.04Å; T58-F61 PolarHBondContact O-N 3.01Å; T58-L62 PolarHBondContact O-N 3.25Å; T58-W139 HydrophobicContact CG2-CH2 4.21Å; T58-W139 HydrophobicContact CG2-CZ2 3.97Å
59A97.4Very high95.1Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-64.1-37173.700000111.4N55 L56 F61 L62 L63 N97 L100 W139N55-A59 PolarHBondContact O-N 3.21Å; L56-A59 CarbonylContact O-C 3.59Å; L56-A59 WeakPolarHBondContact O-CA 3.42Å; L56-A59 WeakPolarHBondContact O-CB 3.25Å; L56-A59 PolarHBondContact O-N 3.36Å; A59-F61 VanDerWaalsContact C-N 3.33Å; A59-F61 PolarHBondContact O-N 2.87Å; A59-L62 WeakPolarHBondContact O-CB 3.3Å; A59-L62 PolarHBondContact O-N 3.26Å; A59-L63 PolarHBondContact O-N 2.97Å; A59-L63 VanDerWaalsContact O-N 3.07Å; A59-N97 PolarHBondContact O-ND2 3.44Å; A59-L100 HydrophobicContact CB-CB 3.94Å; A59-L100 HydrophobicContact CB-CD1 3.83Å; A59-W139 HydrophobicContact CB-CH2 4.34Å; A59-W139 HydrophobicContact CB-CZ2 4.43Å
60D96.7Very high95.3Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-60.7-42.5176.7-63.7-18.4000111.2L56 L57 T58 L62 L63 T64 N97 L278 Y285L56-D60 PolarHBondContact O-N 3.35Å; L57-D60 WeakPolarHBondContact O-CB 3.39Å; L57-D60 PolarHBondContact O-N 3.48Å; T58-D60 VanDerWaalsContact C-N 3.3Å; T58-D60 PolarHBondContact O-N 3.04Å; D60-L62 VanDerWaalsContact C-N 3.35Å; D60-L62 PolarHBondContact O-N 3.4Å; D60-L63 WeakPolarHBondContact O-CB 3.4Å; D60-L63 PolarHBondContact O-N 3.24Å; D60-L63 VanDerWaalsContact O-N 3.13Å; D60-T64 WeakPolarHBondContact O-CG2 3.47Å; D60-T64 PolarHBondContact O-N 3.37Å; D60-N97 WeakPolarHBondContact CA-ND2 3.37Å; D60-N97 PolarHBondContact N-ND2 3.29Å; D60-N97 PolarHBondContact OD1-ND2 2.99Å; D60-L278 HydrophobicContact CB-CD2 3.45Å; D60-L278 VanDerWaalsContact CB-CD2 3.45Å; D60-Y285 PolarHBondContact OD2-OH 2.89Å
61F95.9Very high95.5Very high61 Ų6123.7 Ų23.727%0.26813%0.128SC..Hα-helixtrans-60-44174.1-79.7-67.5000112.5T36 L57 T58 A59 L63 T64 L65T36-F61 WeakPolarHBondContact OG1-CE2 3.39Å; T36-F61 WeakPolarHBondContact OG1-CZ 3.25Å; L57-F61 HydrophobicContact CD1-CD2 4.3Å; L57-F61 HydrophobicContact CD1-CE2 3.69Å; L57-F61 HydrophobicContact CD1-CZ 4.38Å; L57-F61 HydrophobicContact CD2-CE2 4.44Å; L57-F61 HydrophobicContact CG-CD2 4.27Å; L57-F61 HydrophobicContact CG-CE2 3.8Å; L57-F61 WeakPolarHBondContact O-CD2 3.37Å; L57-F61 PolarHBondContact O-N 3.47Å; L57-F61 VanDerWaalsContact O-N 3.09Å; T58-F61 PolarHBondContact O-N 3.01Å; A59-F61 VanDerWaalsContact C-N 3.33Å; A59-F61 PolarHBondContact O-N 2.87Å; F61-L63 PolarHBondContact O-N 2.82Å; F61-T64 WeakPolarHBondContact CA-OG1 3.45Å; F61-T64 PolarHBondContact O-N 3.09Å; F61-T64 VanDerWaalsContact O-N 3.17Å; F61-T64 PolarHBondContact O-OG1 3.47Å; F61-L65 WeakPolarHBondContact O-CG 3.26Å; F61-L65 PolarHBondContact O-N 3.25Å
62L95.6Very high95.4Very high48 Ų4825.7 Ų25.725%0.25114%0.14SC..Hα-helixtrans-59.3-38.1176.2-64-178.7000112T58 A59 D60 A66 W139T58-L62 PolarHBondContact O-N 3.25Å; A59-L62 WeakPolarHBondContact O-CB 3.3Å; A59-L62 PolarHBondContact O-N 3.26Å; D60-L62 VanDerWaalsContact C-N 3.35Å; D60-L62 PolarHBondContact O-N 3.4Å; L62-A66 PolarHBondContact O-N 2.9Å; L62-W139 HydrophobicContact CD1-CH2 3.62Å; L62-W139 HydrophobicContact CD1-CZ3 3.7Å
63L97.2Very high95.2Very high0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-68.3-44.6174.6178.358.9000111.9A59 D60 F61 L65 A66 L67 I94 N97 V275 L278A59-L63 PolarHBondContact O-N 2.97Å; A59-L63 VanDerWaalsContact O-N 3.07Å; D60-L63 WeakPolarHBondContact O-CB 3.4Å; D60-L63 PolarHBondContact O-N 3.24Å; D60-L63 VanDerWaalsContact O-N 3.13Å; F61-L63 PolarHBondContact O-N 2.82Å; L63-L65 PolarHBondContact O-N 3.21Å; L63-A66 WeakPolarHBondContact O-CA 3.48Å; L63-A66 WeakPolarHBondContact O-CB 3.45Å; L63-A66 PolarHBondContact O-N 3.23Å; L63-L67 HydrophobicContact CD1-CD2 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.11Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 HydrophobicContact CG-CG 4.29Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.86Å; L63-I94 HydrophobicContact CD1-CB 4.14Å; L63-I94 HydrophobicContact CD1-CG1 3.71Å; L63-I94 HydrophobicContact CD1-CG2 4.12Å; L63-N97 HydrophobicContact CB-CB 3.73Å; L63-N97 HydrophobicContact CD2-CB 4.31Å; L63-N97 VanDerWaalsContact CD2-OD1 3.28Å; L63-N97 WeakPolarHBondContact CD2-OD1 3.25Å; L63-N97 HydrophobicContact CG-CB 4.43Å; L63-V275 HydrophobicContact CD1-CG1 3.95Å; L63-V275 HydrophobicContact CD2-CB 4.03Å; L63-V275 HydrophobicContact CD2-CG1 4.17Å; L63-L278 HydrophobicContact CB-CD2 4.34Å; L63-L278 HydrophobicContact CD2-CD1 3.72Å; L63-L278 HydrophobicContact CD2-CD2 3.93Å; L63-L278 HydrophobicContact CD2-CG 3.58Å; L63-L278 HydrophobicContact CG-CD1 3.89Å; L63-L278 HydrophobicContact CG-CD2 4.36Å; L63-L278 HydrophobicContact CG-CG 4.22Å
64T95.8Very high94.9Very high6 Ų627.8 Ų27.84%0.03715%0.153CC..Hα-helixtrans-60.4-34.1177.161.50000112.3F25 I29 D60 F61 A66 P68 L278F25-T64 VanDerWaalsContact CE2-O 3.3Å; F25-T64 WeakPolarHBondContact CE2-O 3.04Å; I29-T64 HydrophobicContact CB-CG2 4.39Å; D60-T64 WeakPolarHBondContact O-CG2 3.47Å; D60-T64 PolarHBondContact O-N 3.37Å; F61-T64 WeakPolarHBondContact CA-OG1 3.45Å; F61-T64 PolarHBondContact O-N 3.09Å; F61-T64 VanDerWaalsContact O-N 3.17Å; F61-T64 PolarHBondContact O-OG1 3.47Å; T64-A66 VanDerWaalsContact C-N 3.31Å; T64-P68 WeakPolarHBondContact O-CD 3.14Å; T64-L278 HydrophobicContact CG2-CD1 3.98Å; T64-L278 HydrophobicContact CG2-CD2 4.13Å
65L94.5Very high94.6Very high123 Ų12329.1 Ų29.164%0.64416%0.16SC*.Hα-helixtrans-69.1-30.2172.9-67.6173.5000112.5F61 L63F61-L65 WeakPolarHBondContact O-CG 3.26Å; F61-L65 PolarHBondContact O-N 3.25Å; L63-L65 PolarHBondContact O-N 3.21Å
66A95.9Very high94.1Very high1 Ų130.3 Ų30.31%0.00818%0.178CC..Hα-helixtrans-79.8-35.5-179.400000113.2L62 L63 T64 V69 K70 T90 L93 I94L62-A66 PolarHBondContact O-N 2.9Å; L63-A66 WeakPolarHBondContact O-CA 3.48Å; L63-A66 WeakPolarHBondContact O-CB 3.45Å; L63-A66 PolarHBondContact O-N 3.23Å; T64-A66 VanDerWaalsContact C-N 3.31Å; A66-V69 PolarHBondContact O-N 2.87Å; A66-K70 PolarHBondContact O-N 3.37Å; A66-T90 HydrophobicContact CB-CG2 3.69Å; A66-T90 WeakPolarHBondContact O-CG2 3.46Å; A66-L93 HydrophobicContact CB-CB 3.91Å; A66-L93 HydrophobicContact CB-CD1 4.36Å; A66-I94 HydrophobicContact CB-CG1 3.95Å
67L95.9Very high93.7Very high0 Ų035.3 Ų35.30%021%0.209CC..Hα-helixtrans-57.9-43.4-173.5-74.2178.9000114.9F21 F25 L63 V69 K70 I71 V275 L278F21-L67 HydrophobicContact CD1-CD2 3.96Å; F25-L67 HydrophobicContact CB-CB 4.27Å; F25-L67 HydrophobicContact CB-CD1 3.93Å; F25-L67 HydrophobicContact CD2-CB 4.02Å; F25-L67 HydrophobicContact CD2-CD1 4.36Å; F25-L67 HydrophobicContact CG-CB 4.47Å; L63-L67 HydrophobicContact CD1-CD2 4.13Å; L63-L67 HydrophobicContact CD1-CG 4.11Å; L63-L67 HydrophobicContact CG-CD1 4.39Å; L63-L67 HydrophobicContact CG-CG 4.29Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 2.86Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.42Å; L67-K70 WeakPolarHBondContact O-CB 3.2Å; L67-K70 PolarHBondContact O-N 3.49Å; L67-K70 VanDerWaalsContact O-N 3.15Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.09Å; L67-V275 HydrophobicContact CD2-CB 4.43Å; L67-V275 HydrophobicContact CD2-CG1 4.3Å; L67-L278 HydrophobicContact CD1-CD1 3.6Å
68P95.4Very high93.4Very high50 Ų5035.2 Ų35.233%0.32521%0.21SC..Hα-helixtrans-57.3-42.4178.1-27.434.8000113.1F25 T64 I71 V72F25-P68 HydrophobicContact CD2-CG 4.29Å; F25-P68 HydrophobicContact CE2-CG 3.77Å; F25-P68 HydrophobicContact CZ-CG 3.95Å; T64-P68 WeakPolarHBondContact O-CD 3.14Å; P68-I71 PolarHBondContact O-N 3.27Å; P68-V72 VanDerWaalsContact O-CG2 3.3Å; P68-V72 WeakPolarHBondContact O-CG2 3.39Å; P68-V72 PolarHBondContact O-N 3.16Å
69V95.3Very high93.1Very high25 Ų2536.1 Ų36.115%0.15222%0.217CC..Hα-helixtrans-66.8-41.3178.41760000110.8A66 L67 V72 V73 L82 F85 H86 T90A66-V69 PolarHBondContact O-N 2.87Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.42Å; V69-V72 PolarHBondContact O-N 2.75Å; V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 2.87Å; V69-V73 VanDerWaalsContact O-N 3.1Å; V69-L82 HydrophobicContact CG1-CD1 3.85Å; V69-L82 HydrophobicContact CG1-CG 4.15Å; V69-L82 HydrophobicContact CG2-CD1 4.35Å; V69-F85 HydrophobicContact CG1-CD1 4.16Å; V69-F85 HydrophobicContact CG2-CE1 4.35Å; V69-H86 HydrophobicContact CG1-CB 3.95Å; V69-T90 HydrophobicContact CB-CG2 3.82Å; V69-T90 HydrophobicContact CG1-CG2 4.05Å; V69-T90 VanDerWaalsContact CG1-OG1 3.3Å; V69-T90 WeakPolarHBondContact CG1-OG1 3.24Å
70K93.8Very high92.6Very high4 Ų438.1 Ų38.12%0.01722%0.224CC..Hα-helixtrans-57.9-49.6173.8-174.6-167.7-167.9-66.30110.9F21 A66 L67 V72 V73 D74 I94 E268F21-K70 HydrophobicContact CD1-CD 4.07Å; F21-K70 HydrophobicContact CE1-CD 3.85Å; F21-K70 HydrophobicContact CZ-CD 4.17Å; F21-K70 VanDerWaalsContact CZ-CE 3.46Å; A66-K70 PolarHBondContact O-N 3.37Å; L67-K70 WeakPolarHBondContact O-CB 3.2Å; L67-K70 PolarHBondContact O-N 3.49Å; L67-K70 VanDerWaalsContact O-N 3.15Å; K70-V72 PolarHBondContact O-N 3.26Å; K70-V73 PolarHBondContact O-N 3.47Å; K70-V73 VanDerWaalsContact O-N 3.15Å; K70-D74 IonicContact NZ-OD2 2.61Å; K70-D74 PolarHBondContact NZ-OD2 2.92Å; K70-D74 PolarHBondContact O-N 2.92Å; K70-I94 HydrophobicContact CB-CD1 4.27Å; K70-I94 HydrophobicContact CD-CD1 3.88Å; K70-I94 HydrophobicContact CG-CD1 4.35Å; K70-E268 IonicContact NZ-OE2 2.81Å; K70-E268 PolarHBondContact NZ-OE2 2.95Å
71I93.9Very high92.3Very high17 Ų1746.8 Ų46.89%0.08726%0.262CS..Hα-helixtrans-56.9-48.8-179.4-71.9163.7000110.9T18 F21 F25 L67 P68 V73 D74 L75T18-I71 HydrophobicContact CG2-CB 4.38Å; T18-I71 HydrophobicContact CG2-CG2 3.72Å; F21-I71 HydrophobicContact CB-CD1 4.31Å; F21-I71 HydrophobicContact CB-CG1 3.95Å; F25-I71 HydrophobicContact CB-CD1 4.48Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.09Å; P68-I71 PolarHBondContact O-N 3.27Å; I71-V73 VanDerWaalsContact C-N 3.28Å; I71-V73 PolarHBondContact O-N 3.25Å; I71-D74 PolarHBondContact O-N 2.97Å; I71-L75 HydrophobicContact CG2-CD1 4.14Å; I71-L75 WeakPolarHBondContact O-CG 3.24Å; I71-L75 PolarHBondContact O-N 2.99Å
72V92.6Very high92Very high51 Ų5146 Ų4631%0.30926%0.26SS..Hα-helixtrans-63.8-34.8179.8175.70000111.9P68 V69 K70 V77 A78 L82P68-V72 VanDerWaalsContact O-CG2 3.3Å; P68-V72 WeakPolarHBondContact O-CG2 3.39Å; P68-V72 PolarHBondContact O-N 3.16Å; V69-V72 PolarHBondContact O-N 2.75Å; K70-V72 PolarHBondContact O-N 3.26Å; V72-V77 HydrophobicContact CG1-CG2 4Å; V72-A78 HydrophobicContact CG1-CB 3.99Å; V72-A78 PolarHBondContact O-N 3.5Å; V72-L82 HydrophobicContact CB-CD2 4.29Å; V72-L82 HydrophobicContact CG1-CD2 3.68Å
73V89.4Confident91.7Very high27 Ų2745.6 Ų45.616%0.16426%0.256CS..Hα-helixtrans-69.3-44.8175169.60000111.7V69 K70 I71 L75 G76 A78 K83 H86V69-V73 WeakPolarHBondContact O-CG2 3.34Å; V69-V73 PolarHBondContact O-N 2.87Å; V69-V73 VanDerWaalsContact O-N 3.1Å; K70-V73 PolarHBondContact O-N 3.47Å; K70-V73 VanDerWaalsContact O-N 3.15Å; I71-V73 VanDerWaalsContact C-N 3.28Å; I71-V73 PolarHBondContact O-N 3.25Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.97Å; V73-G76 PolarHBondContact O-N 3.02Å; V73-A78 HydrophobicContact CB-CB 4.25Å; V73-A78 HydrophobicContact CG2-CB 3.63Å; V73-K83 HydrophobicContact CG1-CG 4.47Å; V73-K83 HydrophobicContact CG2-CG 4.32Å; V73-H86 HydrophobicContact CG2-CB 3.79Å
74D88.6Confident91.3Very high26 Ų2647.1 Ų47.114%0.13926%0.264CS..Hα-helixtrans-69.6-29.1-178.5-67.7-16.4000112.9L14 K70 I71 G76L14-D74 HydrophobicContact CB-CB 4.24Å; L14-D74 HydrophobicContact CD2-CB 4.42Å; K70-D74 IonicContact NZ-OD2 2.61Å; K70-D74 PolarHBondContact NZ-OD2 2.92Å; K70-D74 PolarHBondContact O-N 2.92Å; I71-D74 PolarHBondContact O-N 2.97Å; D74-G76 PolarHBondContact O-N 3.3Å
75L88.4Confident91.1Very high74 Ų7451.4 Ų51.439%0.38728%0.283SS..THydrogen-bonded Turntrans-68.2-10.2170-73.7174.9000113.5T18 I71 V73 V77T18-L75 HydrophobicContact CG2-CD1 4.35Å; T18-L75 HydrophobicContact CG2-CD2 3.7Å; T18-L75 HydrophobicContact CG2-CG 3.73Å; I71-L75 HydrophobicContact CG2-CD1 4.14Å; I71-L75 WeakPolarHBondContact O-CG 3.24Å; I71-L75 PolarHBondContact O-N 2.99Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.97Å; L75-V77 HydrophobicContact CB-CG1 4.5Å; L75-V77 HydrophobicContact CB-CG2 3.96Å; L75-V77 PolarHBondContact O-N 3.27Å
76G86.1Confident90.9Very high51 Ų5146.5 Ų46.553%0.52626%0.256SS..THydrogen-bonded Turntrans74.11.1-178.400000114.9V73 D74V73-G76 PolarHBondContact O-N 3.02Å; D74-G76 PolarHBondContact O-N 3.3Å
77V88.1Confident90.6Very high105 Ų10547.2 Ų47.264%0.63626%0.261SS*.  trans-89.8-5.7-179.8-580000113.5V72 L75V72-V77 HydrophobicContact CG1-CG2 4Å; L75-V77 HydrophobicContact CB-CG1 4.5Å; L75-V77 HydrophobicContact CB-CG2 3.96Å; L75-V77 PolarHBondContact O-N 3.27Å
78A87.9Confident90.3Very high7 Ų749.9 Ų49.96%0.05827%0.274CS..  trans-64.9132.6178.100000112.6V72 V73 L82 K83V72-A78 HydrophobicContact CG1-CB 3.99Å; V72-A78 PolarHBondContact O-N 3.5Å; V73-A78 HydrophobicContact CB-CB 4.25Å; V73-A78 HydrophobicContact CG2-CB 3.63Å; A78-L82 HydrophobicContact CB-CB 4.31Å; A78-L82 HydrophobicContact CB-CD2 4.02Å; A78-L82 HydrophobicContact CB-CG 4.39Å; A78-K83 HydrophobicContact CB-CG 3.93Å; A78-K83 VanDerWaalsContact O-CE 3.31Å; A78-K83 WeakPolarHBondContact O-CE 3.43Å
79P90.6Very high90.2Very high83 Ų8349.5 Ų49.554%0.53927%0.27SS..  trans-65.5157.417028.6-34.4000110.8K81 L82 K83P79-K81 VanDerWaalsContact C-N 3.28Å; P79-K81 PolarHBondContact O-N 2.79Å; P79-K81 VanDerWaalsContact O-N 3.16Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CA 3.35Å; P79-L82 WeakPolarHBondContact O-CB 3.47Å; P79-L82 PolarHBondContact O-N 3.04Å; P79-K83 PolarHBondContact O-N 3.44Å; P79-K83 VanDerWaalsContact O-N 3.09Å
80W87.9Confident90.1Very high42 Ų4248.4 Ų48.416%0.15926%0.263CS..Hα-helixtrans-51.7-42.9-177.1-168.9-114.5000113.8L82 K83 I84 I157 E159 K160 V163 F168W80-L82 VanDerWaalsContact C-N 3.32Å; W80-L82 PolarHBondContact O-N 3.35Å; W80-K83 HydrophobicContact CE3-CD 4.24Å; W80-K83 WeakPolarHBondContact O-CB 3.42Å; W80-K83 PolarHBondContact O-N 3.05Å; W80-I84 WeakPolarHBondContact O-CG1 3.41Å; W80-I84 PolarHBondContact O-N 3.35Å; W80-I157 HydrophobicContact CZ2-CB 4.4Å; W80-E159 HydrophobicContact CD2-CB 4.2Å; W80-E159 HydrophobicContact CD2-CG 4.02Å; W80-E159 HydrophobicContact CE3-CB 4.29Å; W80-E159 HydrophobicContact CE3-CG 3.76Å; W80-E159 HydrophobicContact CG-CG 4.37Å; W80-E159 HydrophobicContact CZ3-CG 4.28Å; W80-K160 WeakPolarHBondContact CZ3-O 3.39Å; W80-V163 HydrophobicContact CH2-CB 4.08Å; W80-V163 HydrophobicContact CH2-CG1 4.18Å; W80-V163 HydrophobicContact CH2-CG2 4.12Å; W80-V163 HydrophobicContact CZ3-CB 4.45Å; W80-F168 AromaticContact CH2-CE1 3.96Å; W80-F168 HydrophobicContact CH2-CE1 3.96Å; W80-F168 AromaticContact CH2-CZ 3.53Å; W80-F168 HydrophobicContact CH2-CZ 3.53Å; W80-F168 AromaticContact CZ2-CE1 3.44Å; W80-F168 HydrophobicContact CZ2-CE1 3.44Å; W80-F168 VanDerWaalsContact CZ2-CE1 3.44Å; W80-F168 AromaticContact CZ2-CZ 3.48Å; W80-F168 HydrophobicContact CZ2-CZ 3.48Å; W80-F168 VanDerWaalsContact CZ2-CZ 3.48Å; W80-F168 HydrophobicContact CZ3-CZ 4.16Å
81K89.2Confident90.1Very high181 Ų18148.9 Ų48.979%0.78727%0.268SS*.Hα-helixtrans-61.2-37.5176.7-66.2-174.3180-178.90112.9P79 I84 F85P79-K81 VanDerWaalsContact C-N 3.28Å; P79-K81 PolarHBondContact O-N 2.79Å; P79-K81 VanDerWaalsContact O-N 3.16Å; K81-I84 PolarHBondContact O-N 2.91Å; K81-F85 WeakPolarHBondContact O-CB 3.34Å; K81-F85 PolarHBondContact O-N 3.09Å
82L90.4Very high90.1Very high46 Ų4648.5 Ų48.524%0.24127%0.267CS..Hα-helixtrans-72.9-34.1178.3-171.665.8000111.4V69 V72 A78 P79 W80 F85 H86V69-L82 HydrophobicContact CG1-CD1 3.85Å; V69-L82 HydrophobicContact CG1-CG 4.15Å; V69-L82 HydrophobicContact CG2-CD1 4.35Å; V72-L82 HydrophobicContact CB-CD2 4.29Å; V72-L82 HydrophobicContact CG1-CD2 3.68Å; A78-L82 HydrophobicContact CB-CB 4.31Å; A78-L82 HydrophobicContact CB-CD2 4.02Å; A78-L82 HydrophobicContact CB-CG 4.39Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CA 3.35Å; P79-L82 WeakPolarHBondContact O-CB 3.47Å; P79-L82 PolarHBondContact O-N 3.04Å; W80-L82 VanDerWaalsContact C-N 3.32Å; W80-L82 PolarHBondContact O-N 3.35Å; L82-F85 HydrophobicContact CD1-CD1 4.25Å; L82-F85 PolarHBondContact O-N 3.04Å; L82-H86 WeakPolarHBondContact O-CB 3.3Å; L82-H86 PolarHBondContact O-N 3.36Å
83K88.5Confident90.3Very high39 Ų3947.8 Ų47.817%0.1726%0.261CS..Hα-helixtrans-61.5-43.6171.1-66.2-178.4179.2175.60111.6V73 A78 P79 W80 H86 C87V73-K83 HydrophobicContact CG1-CG 4.47Å; V73-K83 HydrophobicContact CG2-CG 4.32Å; A78-K83 HydrophobicContact CB-CG 3.93Å; A78-K83 VanDerWaalsContact O-CE 3.31Å; A78-K83 WeakPolarHBondContact O-CE 3.43Å; P79-K83 PolarHBondContact O-N 3.44Å; P79-K83 VanDerWaalsContact O-N 3.09Å; W80-K83 HydrophobicContact CE3-CD 4.24Å; W80-K83 WeakPolarHBondContact O-CB 3.42Å; W80-K83 PolarHBondContact O-N 3.05Å; K83-H86 WeakPolarHBondContact O-CB 3.43Å; K83-H86 PolarHBondContact O-N 2.74Å; K83-C87 PolarHBondContact O-N 3.48Å; K83-C87 VanDerWaalsContact O-N 3.08Å; K83-C87 PolarHBondContact O-SG 3.07Å
84I88.9Confident90.6Very high32 Ų3246.7 Ų46.716%0.16426%0.255CS..Hα-helixtrans-62-48.3174.8-66.7167.3000110.6W80 K81 H86 C87 Q88 I154 F168W80-I84 WeakPolarHBondContact O-CG1 3.41Å; W80-I84 PolarHBondContact O-N 3.35Å; K81-I84 PolarHBondContact O-N 2.91Å; I84-H86 VanDerWaalsContact C-N 3.27Å; I84-H86 PolarHBondContact O-N 3.44Å; I84-C87 PolarHBondContact O-N 3.29Å; I84-C87 VanDerWaalsContact O-N 3.11Å; I84-Q88 PolarHBondContact O-N 3.32Å; I84-I154 HydrophobicContact CD1-CD1 4.37Å; I84-I154 HydrophobicContact CG1-CD1 4.41Å; I84-I154 HydrophobicContact CG2-CD1 3.65Å; I84-F168 HydrophobicContact CD1-CE1 4.38Å; I84-F168 HydrophobicContact CG1-CD1 4.4Å; I84-F168 HydrophobicContact CG1-CE1 3.84Å; I84-F168 HydrophobicContact CG1-CZ 4.04Å
85F91.3Very high90.9Very high96 Ų9646.9 Ų46.942%0.42125%0.253SS..Hα-helixtrans-57.5-41176.9179.8-99.2000111.9V69 K81 L82 C87 Q88 V89 T90V69-F85 HydrophobicContact CG1-CD1 4.16Å; V69-F85 HydrophobicContact CG2-CE1 4.35Å; K81-F85 WeakPolarHBondContact O-CB 3.34Å; K81-F85 PolarHBondContact O-N 3.09Å; L82-F85 HydrophobicContact CD1-CD1 4.25Å; L82-F85 PolarHBondContact O-N 3.04Å; F85-C87 PolarHBondContact O-N 2.82Å; F85-Q88 PolarHBondContact O-N 3.39Å; F85-V89 HydrophobicContact CD2-CB 4.28Å; F85-V89 HydrophobicContact CD2-CG2 4.01Å; F85-V89 HydrophobicContact CE1-CB 4.41Å; F85-V89 HydrophobicContact CE2-CB 3.9Å; F85-V89 HydrophobicContact CE2-CG1 4.17Å; F85-V89 HydrophobicContact CE2-CG2 3.76Å; F85-V89 HydrophobicContact CZ-CB 3.97Å; F85-V89 HydrophobicContact CZ-CG1 3.95Å; F85-V89 HydrophobicContact CZ-CG2 4.33Å; F85-V89 PolarHBondContact O-N 2.62Å; F85-T90 PolarHBondContact O-N 3.23Å
86H91.8Very high91.4Very high19 Ų1943.4 Ų43.49%0.08824%0.235CC..Iπ-helixtrans-59.2-48.2175.2174.777.2000111.8V69 V73 L82 K83 I84 Q88 T90 A91V69-H86 HydrophobicContact CG1-CB 3.95Å; V73-H86 HydrophobicContact CG2-CB 3.79Å; L82-H86 WeakPolarHBondContact O-CB 3.3Å; L82-H86 PolarHBondContact O-N 3.36Å; K83-H86 WeakPolarHBondContact O-CB 3.43Å; K83-H86 PolarHBondContact O-N 2.74Å; I84-H86 VanDerWaalsContact C-N 3.27Å; I84-H86 PolarHBondContact O-N 3.44Å; H86-Q88 VanDerWaalsContact C-N 3.3Å; H86-Q88 PolarHBondContact O-N 3.46Å; H86-T90 WeakPolarHBondContact ND1-CB 3.45Å; H86-T90 WeakPolarHBondContact ND1-CG2 3.47Å; H86-T90 PolarHBondContact O-N 3.04Å; H86-A91 WeakPolarHBondContact O-CB 3.36Å; H86-A91 PolarHBondContact O-N 3.24Å
87C89.7Confident91.9Very high17 Ų1741 Ų4112%0.11521%0.211CC..Iπ-helixtrans-67.3-28.3-178-67.90000114.3K83 I84 F85 C165K83-C87 PolarHBondContact O-N 3.48Å; K83-C87 VanDerWaalsContact O-N 3.08Å; K83-C87 PolarHBondContact O-SG 3.07Å; I84-C87 PolarHBondContact O-N 3.29Å; I84-C87 VanDerWaalsContact O-N 3.11Å; F85-C87 PolarHBondContact O-N 2.82Å; C87-C165 WeakPolarHBondContact CA-SG 3.42Å; C87-C165 HydrophobicContact CB-CB 3.54Å; C87-C165 WeakPolarHBondContact CB-SG 3.5Å; C87-C165 WeakPolarHBondContact SG-CA 3.4Å; C87-C165 WeakPolarHBondContact SG-CB 3.37Å; C87-C165 CovalentContact SG-SG 2.04Å; C87-C165 PolarHBondContact SG-SG 3.41Å
88Q89.6Confident92.4Very high56 Ų5636.3 Ų36.326%0.26218%0.182SC..Iπ-helixtrans-89.7-42.4179.1-69.8-178.7-50.200112.4I84 F85 H86 M150I84-Q88 PolarHBondContact O-N 3.32Å; F85-Q88 PolarHBondContact O-N 3.39Å; H86-Q88 VanDerWaalsContact C-N 3.3Å; H86-Q88 PolarHBondContact O-N 3.46Å; Q88-M150 VanDerWaalsContact O-CA 3.23Å; Q88-M150 WeakPolarHBondContact O-CA 3.03Å; Q88-M150 WeakPolarHBondContact O-CB 3.39Å; Q88-M150 WeakPolarHBondContact O-CG 3.1Å
89V92.4Very high92.8Very high41 Ų4136.1 Ų36.125%0.24818%0.179CC..Iπ-helixtrans-114.5-61.3-167.5-177.20000111F85 A91 C92 L93F85-V89 HydrophobicContact CD2-CB 4.28Å; F85-V89 HydrophobicContact CD2-CG2 4.01Å; F85-V89 HydrophobicContact CE1-CB 4.41Å; F85-V89 HydrophobicContact CE2-CB 3.9Å; F85-V89 HydrophobicContact CE2-CG1 4.17Å; F85-V89 HydrophobicContact CE2-CG2 3.76Å; F85-V89 HydrophobicContact CZ-CB 3.97Å; F85-V89 HydrophobicContact CZ-CG1 3.95Å; F85-V89 HydrophobicContact CZ-CG2 4.33Å; F85-V89 PolarHBondContact O-N 2.62Å; V89-A91 PolarHBondContact O-N 3.47Å; V89-C92 WeakPolarHBondContact O-CB 3.31Å; V89-C92 PolarHBondContact O-N 3.28Å; V89-C92 VanDerWaalsContact O-N 3.1Å; V89-L93 HydrophobicContact CG1-CD1 4.13Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 PolarHBondContact O-N 3.05Å
90T94.1Very high93.2Very high2 Ų232.2 Ų32.21%0.01215%0.154CC..Iπ-helixtrans-59.9-47-171.6-54.20000112.9A66 V69 F85 H86 C92 L93 I94A66-T90 HydrophobicContact CB-CG2 3.69Å; A66-T90 WeakPolarHBondContact O-CG2 3.46Å; V69-T90 HydrophobicContact CB-CG2 3.82Å; V69-T90 HydrophobicContact CG1-CG2 4.05Å; V69-T90 VanDerWaalsContact CG1-OG1 3.3Å; V69-T90 WeakPolarHBondContact CG1-OG1 3.24Å; F85-T90 PolarHBondContact O-N 3.23Å; H86-T90 WeakPolarHBondContact ND1-CB 3.45Å; H86-T90 WeakPolarHBondContact ND1-CG2 3.47Å; H86-T90 PolarHBondContact O-N 3.04Å; T90-C92 VanDerWaalsContact C-N 3.26Å; T90-C92 PolarHBondContact O-N 3Å; T90-L93 PolarHBondContact O-N 3.35Å; T90-I94 HydrophobicContact CG2-CD1 4.44Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 3.46Å; T90-I94 VanDerWaalsContact O-N 3.09Å
91A92.9Very high93.7Very high15 Ų1530.2 Ų30.212%0.12415%0.146CC..Hα-helixtrans-60.1-39.6177.900000111.1H86 V89 I94 Y95H86-A91 WeakPolarHBondContact O-CB 3.36Å; H86-A91 PolarHBondContact O-N 3.24Å; V89-A91 PolarHBondContact O-N 3.47Å; A91-I94 PolarHBondContact O-N 3.17Å; A91-Y95 WeakPolarHBondContact O-CD2 3.48Å; A91-Y95 WeakPolarHBondContact O-CE2 3.48Å; A91-Y95 PolarHBondContact O-N 3.02Å
92C93.8Very high94.1Very high9 Ų921.6 Ų21.66%0.06111%0.109CC..Hα-helixtrans-67.7-39.7176.3-72.20000112.3V89 T90 I94 Y95 I96 M150V89-C92 WeakPolarHBondContact O-CB 3.31Å; V89-C92 PolarHBondContact O-N 3.28Å; V89-C92 VanDerWaalsContact O-N 3.1Å; T90-C92 VanDerWaalsContact C-N 3.26Å; T90-C92 PolarHBondContact O-N 3Å; C92-I94 VanDerWaalsContact C-N 3.3Å; C92-I94 PolarHBondContact O-N 3.4Å; C92-Y95 PolarHBondContact O-N 2.96Å; C92-I96 VanDerWaalsContact O-CG1 3.25Å; C92-I96 WeakPolarHBondContact O-CG1 3.41Å; C92-I96 PolarHBondContact O-N 2.92Å; C92-M150 HydrophobicContact CB-CE 3.33Å; C92-M150 HydrophobicContact CB-CG 3.79Å; C92-M150 HydrophobicContact CB-SD 4.36Å
93L96.2Very high94.4Very high35 Ų3519.4 Ų19.418%0.18310%0.097CC..Hα-helixtrans-60.3-39.1174.3-69.7176.7000112.3A66 V89 T90 Y95 I96 N97A66-L93 HydrophobicContact CB-CB 3.91Å; A66-L93 HydrophobicContact CB-CD1 4.36Å; V89-L93 HydrophobicContact CG1-CD1 4.13Å; V89-L93 HydrophobicContact CG1-CG 4.4Å; V89-L93 PolarHBondContact O-N 3.05Å; T90-L93 PolarHBondContact O-N 3.35Å; L93-Y95 PolarHBondContact O-N 3.26Å; L93-I96 HydrophobicContact CD2-CD1 4.29Å; L93-I96 PolarHBondContact O-N 2.96Å; L93-N97 PolarHBondContact O-N 3.45Å
94I96.5Very high94.8Very high5 Ų517.5 Ų17.53%0.0269%0.089CC..Hα-helixtrans-60.6-45.8175.2-65.3163.8000110.7L63 A66 K70 T90 A91 C92 N97 M98 L271 V275L63-I94 HydrophobicContact CD1-CB 4.14Å; L63-I94 HydrophobicContact CD1-CG1 3.71Å; L63-I94 HydrophobicContact CD1-CG2 4.12Å; A66-I94 HydrophobicContact CB-CG1 3.95Å; K70-I94 HydrophobicContact CB-CD1 4.27Å; K70-I94 HydrophobicContact CD-CD1 3.88Å; K70-I94 HydrophobicContact CG-CD1 4.35Å; T90-I94 HydrophobicContact CG2-CD1 4.44Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 3.46Å; T90-I94 VanDerWaalsContact O-N 3.09Å; A91-I94 PolarHBondContact O-N 3.17Å; C92-I94 VanDerWaalsContact C-N 3.3Å; C92-I94 PolarHBondContact O-N 3.4Å; I94-N97 PolarHBondContact O-N 3.45Å; I94-M98 PolarHBondContact O-N 2.98Å; I94-L271 HydrophobicContact CG2-CD1 3.89Å; I94-V275 HydrophobicContact CG2-CG1 4.04Å
95Y95.7Very high95.2Very high29 Ų2916.3 Ų16.311%0.1148%0.083CC..Hα-helixtrans-69.6-37.6177.1-63.2-57000112.7A91 C92 L93 N97 M98 Y99 Y239 R243A91-Y95 WeakPolarHBondContact O-CD2 3.48Å; A91-Y95 WeakPolarHBondContact O-CE2 3.48Å; A91-Y95 PolarHBondContact O-N 3.02Å; C92-Y95 PolarHBondContact O-N 2.96Å; L93-Y95 PolarHBondContact O-N 3.26Å; Y95-N97 VanDerWaalsContact C-N 3.33Å; Y95-N97 PolarHBondContact O-N 3.17Å; Y95-M98 HydrophobicContact CD1-SD 4.48Å; Y95-M98 PolarHBondContact O-N 3.29Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.37Å; Y95-Y99 PolarHBondContact O-N 2.74Å; Y95-Y239 HydrophobicContact CE1-CE2 4.4Å; Y95-Y239 AromaticContact CE1-CZ 3.83Å; Y95-Y239 WeakPolarHBondContact CE1-OH 3.47Å; Y95-R243 PolarHBondContact OH-NH1 3.35Å
96I97.1Very high95.3Very high1 Ų111.7 Ų11.71%0.0056%0.063CC..Hα-helixtrans-56-50173.7-72.3164.1000109.6C92 L93 M98 Y99 L100 W139 V142 L143 M146 M150C92-I96 VanDerWaalsContact O-CG1 3.25Å; C92-I96 WeakPolarHBondContact O-CG1 3.41Å; C92-I96 PolarHBondContact O-N 2.92Å; L93-I96 HydrophobicContact CD2-CD1 4.29Å; L93-I96 PolarHBondContact O-N 2.96Å; I96-M98 PolarHBondContact O-N 2.97Å; I96-Y99 PolarHBondContact O-N 3.17Å; I96-L100 HydrophobicContact CG2-CD1 3.51Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 WeakPolarHBondContact O-CB 3.35Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.17Å; I96-W139 HydrophobicContact CG2-CZ3 4.27Å; I96-V142 HydrophobicContact CB-CG1 4.32Å; I96-V142 HydrophobicContact CG1-CG1 4.18Å; I96-V142 HydrophobicContact CG2-CG1 4.14Å; I96-L143 HydrophobicContact CD1-CD2 3.95Å; I96-M146 HydrophobicContact CD1-CB 3.92Å; I96-M146 HydrophobicContact CD1-CG 4.49Å; I96-M146 HydrophobicContact CG1-CB 3.62Å; I96-M146 HydrophobicContact CG1-CG 3.65Å; I96-M150 HydrophobicContact CD1-CE 3.61Å
97N97.8Very high95.5Very high2 Ų212.3 Ų12.31%0.0117%0.065CC..Hα-helixtrans-56-52.5174.9170.7-84.5000111.4A59 D60 L63 L93 I94 Y95 Y99 L100 S101 N277A59-N97 PolarHBondContact O-ND2 3.44Å; D60-N97 WeakPolarHBondContact CA-ND2 3.37Å; D60-N97 PolarHBondContact N-ND2 3.29Å; D60-N97 PolarHBondContact OD1-ND2 2.99Å; L63-N97 HydrophobicContact CB-CB 3.73Å; L63-N97 HydrophobicContact CD2-CB 4.31Å; L63-N97 VanDerWaalsContact CD2-OD1 3.28Å; L63-N97 WeakPolarHBondContact CD2-OD1 3.25Å; L63-N97 HydrophobicContact CG-CB 4.43Å; L93-N97 PolarHBondContact O-N 3.45Å; I94-N97 PolarHBondContact O-N 3.45Å; Y95-N97 VanDerWaalsContact C-N 3.33Å; Y95-N97 PolarHBondContact O-N 3.17Å; N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 2.84Å; N97-L100 PolarHBondContact O-N 2.96Å; N97-S101 WeakPolarHBondContact O-CB 3.47Å; N97-S101 PolarHBondContact O-N 2.87Å; N97-S101 PolarHBondContact O-OG 3.48Å; N97-S101 VanDerWaalsContact O-OG 3.06Å; N97-N277 PolarHBondContact OD1-ND2 2.81Å
98M97.6Very high95.6Very high5 Ų511.6 Ų11.63%0.0256%0.06CC..Hα-helixtrans-51.3-49.8-179.6165.7176.3-10000112.7I94 Y95 I96 S101 I102 F236 Y239 A274I94-M98 PolarHBondContact O-N 2.98Å; Y95-M98 HydrophobicContact CD1-SD 4.48Å; Y95-M98 PolarHBondContact O-N 3.29Å; I96-M98 PolarHBondContact O-N 2.97Å; M98-S101 PolarHBondContact O-N 2.81Å; M98-I102 HydrophobicContact CG-CD1 3.83Å; M98-I102 WeakPolarHBondContact O-CD1 3.35Å; M98-I102 VanDerWaalsContact O-CG1 3.24Å; M98-I102 WeakPolarHBondContact O-CG1 3.46Å; M98-I102 PolarHBondContact O-N 3Å; M98-F236 HydrophobicContact CE-CD1 3.99Å; M98-F236 HydrophobicContact CG-CD1 4.11Å; M98-F236 HydrophobicContact CG-CE1 4.37Å; M98-Y239 HydrophobicContact CE-CD1 3.14Å; M98-Y239 HydrophobicContact CE-CD2 4.22Å; M98-Y239 HydrophobicContact CE-CE1 3.61Å; M98-Y239 HydrophobicContact CE-CG 3.48Å; M98-Y239 VanDerWaalsContact CE-CG 3.48Å; M98-Y239 HydrophobicContact SD-CD1 3.58Å; M98-Y239 VanDerWaalsContact SD-CD1 3.58Å; M98-Y239 HydrophobicContact SD-CE1 3.4Å; M98-Y239 WeakPolarHBondContact SD-CE1 3.33Å; M98-Y239 HydrophobicContact SD-CG 4.4Å; M98-A274 HydrophobicContact CE-CB 3.21Å
99Y97.8Very high95.7Very high4 Ų48.9 Ų8.92%0.0165%0.048CC..Hα-helixtrans-74.2-35.3-177.5-68.5-68.1000112.8Y95 I96 N97 I102 I103 M146 C184 I187 H240Y95-Y99 WeakPolarHBondContact O-CD2 3.37Å; Y95-Y99 PolarHBondContact O-N 2.74Å; I96-Y99 PolarHBondContact O-N 3.17Å; N97-Y99 VanDerWaalsContact C-N 3.34Å; N97-Y99 PolarHBondContact O-N 2.84Å; Y99-I102 HydrophobicContact CD1-CD1 4.11Å; Y99-I102 HydrophobicContact CE1-CD1 4.24Å; Y99-I102 PolarHBondContact O-N 3.41Å; Y99-I103 WeakPolarHBondContact O-CB 3.33Å; Y99-I103 WeakPolarHBondContact O-CD1 3.35Å; Y99-I103 WeakPolarHBondContact O-CG1 3.44Å; Y99-I103 PolarHBondContact O-N 3.31Å; Y99-M146 HydrophobicContact CD2-CE 3.32Å; Y99-M146 HydrophobicContact CE2-CE 3.49Å; Y99-M146 VanDerWaalsContact CE2-CE 3.49Å; Y99-M146 HydrophobicContact CG-CE 4.46Å; Y99-C184 HydrophobicContact CE1-CB 3.67Å; Y99-C184 WeakPolarHBondContact CE1-O 3.26Å; Y99-C184 HydrophobicContact CE2-CB 3.83Å; Y99-C184 WeakPolarHBondContact CE2-SG 3.2Å; Y99-C184 VanDerWaalsContact CZ-SG 3.53Å; Y99-C184 VanDerWaalsContact OH-CB 3.28Å; Y99-C184 WeakPolarHBondContact OH-CB 3.49Å; Y99-I187 HydrophobicContact CD1-CG2 4.13Å; Y99-H240 AromaticContact CE1-NE2 3.55Å; Y99-H240 AromaticContact CZ-NE2 3.76Å; Y99-H240 PolarHBondContact OH-NE2 3.05Å; Y99-H240 VanDerWaalsContact OH-NE2 3.16Å
100L98.2Very high95.6Very high0 Ų09.3 Ų9.30%05%0.048CC..Hα-helixtrans-62.9-44.5172-67.8171.3000110.9A59 I96 N97 I102 I103 F104 V138 W139 V142A59-L100 HydrophobicContact CB-CB 3.94Å; A59-L100 HydrophobicContact CB-CD1 3.83Å; I96-L100 HydrophobicContact CG2-CD1 3.51Å; I96-L100 HydrophobicContact CG2-CG 4.24Å; I96-L100 WeakPolarHBondContact O-CB 3.35Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.17Å; N97-L100 PolarHBondContact O-N 2.96Å; L100-I102 PolarHBondContact O-N 3.28Å; L100-I103 PolarHBondContact O-N 3.32Å; L100-F104 HydrophobicContact CB-CD2 4.1Å; L100-F104 HydrophobicContact CB-CE2 4.08Å; L100-F104 HydrophobicContact CD2-CE2 3.91Å; L100-F104 WeakPolarHBondContact O-CB 3.46Å; L100-F104 WeakPolarHBondContact O-CD2 3.18Å; L100-F104 PolarHBondContact O-N 3.07Å; L100-V138 HydrophobicContact CD2-CG1 3.75Å; L100-W139 HydrophobicContact CD1-CD2 3.92Å; L100-W139 HydrophobicContact CD1-CE3 3.57Å; L100-W139 HydrophobicContact CD1-CH2 3.25Å; L100-W139 HydrophobicContact CD1-CZ2 3.6Å; L100-W139 HydrophobicContact CD1-CZ3 3.23Å; L100-W139 HydrophobicContact CD2-CD2 4.01Å; L100-W139 HydrophobicContact CD2-CE3 4.22Å; L100-W139 HydrophobicContact CD2-CG 4.34Å; L100-V142 HydrophobicContact CD2-CB 4.07Å; L100-V142 HydrophobicContact CD2-CG1 4.36Å; L100-V142 HydrophobicContact CD2-CG2 3.9Å; L100-V142 HydrophobicContact CG-CB 4.49Å; L100-V142 HydrophobicContact CG-CG1 4.23Å; L100-V142 HydrophobicContact CG-CG2 4.44Å
101S97.7Very high95.3Very high0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-60.5-46.5176.5-59.50000111.7L56 N97 M98 I103 F104 L105 N277L56-S101 VanDerWaalsContact CD1-CA 3.46Å; L56-S101 WeakPolarHBondContact CD1-OG 3.45Å; N97-S101 WeakPolarHBondContact O-CB 3.47Å; N97-S101 PolarHBondContact O-N 2.87Å; N97-S101 PolarHBondContact O-OG 3.48Å; N97-S101 VanDerWaalsContact O-OG 3.06Å; M98-S101 PolarHBondContact O-N 2.81Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.11Å; S101-F104 PolarHBondContact O-N 2.87Å; S101-L105 WeakPolarHBondContact O-CB 3.09Å; S101-L105 WeakPolarHBondContact O-CD1 3.48Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.32Å; S101-N277 PolarHBondContact OG-ND2 3.25Å; S101-N277 VanDerWaalsContact OG-ND2 3.09Å
102I97.5Very high95Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-54.1-49175.5-75.1163.1000111.4M98 Y99 L100 A106 F188 F191 Y232 F236M98-I102 HydrophobicContact CG-CD1 3.83Å; M98-I102 WeakPolarHBondContact O-CD1 3.35Å; M98-I102 VanDerWaalsContact O-CG1 3.24Å; M98-I102 WeakPolarHBondContact O-CG1 3.46Å; M98-I102 PolarHBondContact O-N 3Å; Y99-I102 HydrophobicContact CD1-CD1 4.11Å; Y99-I102 HydrophobicContact CE1-CD1 4.24Å; Y99-I102 PolarHBondContact O-N 3.41Å; L100-I102 PolarHBondContact O-N 3.28Å; I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.48Å; I102-A106 VanDerWaalsContact O-N 3.17Å; I102-F188 HydrophobicContact CD1-CD2 4.12Å; I102-F191 HydrophobicContact CG2-CB 3.82Å; I102-F191 HydrophobicContact CG2-CG 4.41Å; I102-Y232 HydrophobicContact CB-CE2 4.1Å; I102-Y232 HydrophobicContact CG1-CE2 3.85Å; I102-Y232 HydrophobicContact CG2-CE2 3.95Å; I102-F236 HydrophobicContact CD1-CB 4.2Å; I102-F236 HydrophobicContact CD1-CD1 4.13Å; I102-F236 HydrophobicContact CD1-CG 4.12Å; I102-F236 HydrophobicContact CG1-CB 4.14Å; I102-F236 HydrophobicContact CG1-CD1 3.96Å; I102-F236 HydrophobicContact CG1-CD2 3.92Å; I102-F236 HydrophobicContact CG1-CE1 4.38Å; I102-F236 HydrophobicContact CG1-CE2 4.37Å; I102-F236 HydrophobicContact CG1-CG 3.71Å
103I97.9Very high94.6Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-70.4-47.4-175.5-64.1169.3000111.1Y99 L100 S101 A106 F107 V138 V142 I187 F191Y99-I103 WeakPolarHBondContact O-CB 3.33Å; Y99-I103 WeakPolarHBondContact O-CD1 3.35Å; Y99-I103 WeakPolarHBondContact O-CG1 3.44Å; Y99-I103 PolarHBondContact O-N 3.31Å; L100-I103 PolarHBondContact O-N 3.32Å; S101-I103 VanDerWaalsContact C-N 3.32Å; S101-I103 PolarHBondContact O-N 3.11Å; I103-A106 WeakPolarHBondContact O-CB 3.3Å; I103-A106 PolarHBondContact O-N 3.13Å; I103-F107 HydrophobicContact CG2-CD2 4.17Å; I103-F107 HydrophobicContact CG2-CE2 3.73Å; I103-F107 HydrophobicContact CG2-CZ 3.92Å; I103-F107 PolarHBondContact O-N 3.38Å; I103-V138 HydrophobicContact CB-CG1 4.15Å; I103-V138 HydrophobicContact CD1-CG1 3.9Å; I103-V138 HydrophobicContact CG2-CB 4.35Å; I103-V138 HydrophobicContact CG2-CG1 3.69Å; I103-V138 HydrophobicContact CG2-CG2 3.67Å; I103-V142 HydrophobicContact CD1-CG2 3.94Å; I103-I187 HydrophobicContact CD1-CG2 4.11Å; I103-I187 HydrophobicContact CG1-CG2 4.19Å; I103-F191 HydrophobicContact CB-CE1 4.34Å; I103-F191 HydrophobicContact CB-CE2 4.41Å; I103-F191 HydrophobicContact CB-CZ 4.22Å; I103-F191 HydrophobicContact CD1-CE2 4.08Å; I103-F191 HydrophobicContact CD1-CZ 4.43Å; I103-F191 HydrophobicContact CG1-CD2 3.75Å; I103-F191 HydrophobicContact CG1-CE1 4.3Å; I103-F191 HydrophobicContact CG1-CE2 3.52Å; I103-F191 HydrophobicContact CG1-CG 4.28Å; I103-F191 HydrophobicContact CG1-CZ 3.79Å; I103-F191 HydrophobicContact CG2-CE1 3.82Å; I103-F191 HydrophobicContact CG2-CE2 4.34Å; I103-F191 HydrophobicContact CG2-CZ 3.7Å
104F97.4Very high94.1Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-68.4-36.3-179-72.8-57000112.4Y52 N55 L100 S101 A106 F107 V108 S135 V138 W139Y52-F104 AromaticContact CD1-CD1 3.92Å; Y52-F104 HydrophobicContact CD1-CD1 3.92Å; Y52-F104 HydrophobicContact CD1-CE1 4.21Å; Y52-F104 HydrophobicContact CG-CD1 4.42Å; N55-F104 HydrophobicContact CB-CD1 4.13Å; N55-F104 HydrophobicContact CB-CD2 3.92Å; N55-F104 HydrophobicContact CB-CE1 3.68Å; N55-F104 HydrophobicContact CB-CE2 3.46Å; N55-F104 VanDerWaalsContact CB-CE2 3.46Å; N55-F104 HydrophobicContact CB-CG 4.26Å; N55-F104 HydrophobicContact CB-CZ 3.34Å; L100-F104 HydrophobicContact CB-CD2 4.1Å; L100-F104 HydrophobicContact CB-CE2 4.08Å; L100-F104 HydrophobicContact CD2-CE2 3.91Å; L100-F104 WeakPolarHBondContact O-CB 3.46Å; L100-F104 WeakPolarHBondContact O-CD2 3.18Å; L100-F104 PolarHBondContact O-N 3.07Å; S101-F104 PolarHBondContact O-N 2.87Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 3.07Å; F104-F107 HydrophobicContact CD1-CD2 4.18Å; F104-F107 PolarHBondContact O-N 3.32Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 VanDerWaalsContact O-CG2 3.26Å; F104-V108 WeakPolarHBondContact O-CG2 3.48Å; F104-V108 PolarHBondContact O-N 3.21Å; F104-S135 WeakPolarHBondContact CE1-OG 3.35Å; F104-V138 HydrophobicContact CE2-CG1 4.34Å; F104-V138 HydrophobicContact CZ-CB 4.48Å; F104-V138 HydrophobicContact CZ-CG1 4.08Å; F104-W139 AromaticContact CZ-NE1 3.95Å
105L95.5Very high93.3Very high6 Ų612.8 Ų12.83%0.0316%0.061CC..Hα-helixtrans-63.9-38.4173.3-70.3170.3000111.6L56 S101 V108 S109 V228 Y232 F236 L284L56-L105 HydrophobicContact CD2-CD2 4.02Å; S101-L105 WeakPolarHBondContact O-CB 3.09Å; S101-L105 WeakPolarHBondContact O-CD1 3.48Å; S101-L105 WeakPolarHBondContact O-CG 3.41Å; S101-L105 PolarHBondContact O-N 3.32Å; L105-V108 WeakPolarHBondContact O-CB 3.44Å; L105-V108 PolarHBondContact O-N 3.42Å; L105-S109 PolarHBondContact O-N 3.21Å; L105-V228 HydrophobicContact CB-CG1 4.1Å; L105-V228 HydrophobicContact CD2-CG1 4.16Å; L105-Y232 HydrophobicContact CD1-CD2 4.31Å; L105-F236 HydrophobicContact CD1-CE2 3.59Å; L105-F236 HydrophobicContact CD1-CZ 4.27Å; L105-L284 HydrophobicContact CD2-CD2 3.32Å
106A95.2Very high92.4Very high0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-64.8-42.4173.600000112.2I102 I103 F104 V108 S109 I110 F191 I194 I195I102-A106 WeakPolarHBondContact O-CB 3.42Å; I102-A106 PolarHBondContact O-N 3.48Å; I102-A106 VanDerWaalsContact O-N 3.17Å; I103-A106 WeakPolarHBondContact O-CB 3.3Å; I103-A106 PolarHBondContact O-N 3.13Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 3.07Å; A106-V108 VanDerWaalsContact C-N 3.35Å; A106-V108 PolarHBondContact O-N 3.5Å; A106-S109 WeakPolarHBondContact O-CB 3.34Å; A106-S109 PolarHBondContact O-N 2.89Å; A106-S109 VanDerWaalsContact O-N 3.16Å; A106-I110 WeakPolarHBondContact O-CG1 3.46Å; A106-I110 PolarHBondContact O-N 3.32Å; A106-F191 HydrophobicContact CB-CB 4.03Å; A106-F191 HydrophobicContact CB-CD1 3.48Å; A106-F191 VanDerWaalsContact CB-CD1 3.48Å; A106-F191 HydrophobicContact CB-CE1 4.4Å; A106-F191 HydrophobicContact CB-CG 4.18Å; A106-I194 HydrophobicContact CB-CG2 4.47Å; A106-I195 HydrophobicContact CB-CD1 4.04Å; A106-I195 HydrophobicContact CB-CG1 3.86Å
107F94.7Very high91.3Very high32 Ų3214.9 Ų14.914%0.148%0.076CC..Hα-helixtrans-64.3-37.6174.2-69.6-21.3000113.2Y52 I103 F104 S109 I110 D111 I134 V138 F191Y52-F107 HydrophobicContact CD1-CB 4.3Å; Y52-F107 HydrophobicContact CD1-CD2 4.23Å; Y52-F107 HydrophobicContact CD2-CB 3.85Å; Y52-F107 HydrophobicContact CE1-CB 4.19Å; Y52-F107 AromaticContact CE1-CD2 3.91Å; Y52-F107 HydrophobicContact CE1-CD2 3.91Å; Y52-F107 HydrophobicContact CE1-CG 4.41Å; Y52-F107 HydrophobicContact CE2-CB 3.72Å; Y52-F107 HydrophobicContact CG-CB 4.16Å; I103-F107 HydrophobicContact CG2-CD2 4.17Å; I103-F107 HydrophobicContact CG2-CE2 3.73Å; I103-F107 HydrophobicContact CG2-CZ 3.92Å; I103-F107 PolarHBondContact O-N 3.38Å; F104-F107 HydrophobicContact CD1-CD2 4.18Å; F104-F107 PolarHBondContact O-N 3.32Å; F107-S109 VanDerWaalsContact C-N 3.32Å; F107-I110 HydrophobicContact CD1-CD1 4.06Å; F107-I110 PolarHBondContact O-N 3.02Å; F107-D111 WeakPolarHBondContact O-CB 3.27Å; F107-D111 PolarHBondContact O-N 3.25Å; F107-I134 HydrophobicContact CE2-CG1 3.78Å; F107-I134 HydrophobicContact CE2-CG2 4.16Å; F107-I134 HydrophobicContact CZ-CD1 4.48Å; F107-I134 HydrophobicContact CZ-CG1 3.67Å; F107-V138 HydrophobicContact CE2-CG2 3.77Å; F107-V138 HydrophobicContact CZ-CG2 4.08Å; F107-F191 AromaticContact CE1-CE1 3.97Å; F107-F191 HydrophobicContact CE1-CE1 3.97Å; F107-F191 HydrophobicContact CZ-CE1 4.4Å
108V92.6Very high89.6Confident1 Ų120.8 Ų20.81%0.00610%0.103CC..Hα-helixtrans-60.3-44171165.80000110.5V49 Y52 L53 F104 L105 A106 D111 R112 V228 L288V49-V108 HydrophobicContact CG2-CG1 4.39Å; V49-V108 HydrophobicContact CG2-CG2 4.25Å; Y52-V108 HydrophobicContact CD2-CG2 4.4Å; L53-V108 HydrophobicContact CD2-CG2 4.1Å; F104-V108 WeakPolarHBondContact O-CB 3.3Å; F104-V108 VanDerWaalsContact O-CG2 3.26Å; F104-V108 WeakPolarHBondContact O-CG2 3.48Å; F104-V108 PolarHBondContact O-N 3.21Å; L105-V108 WeakPolarHBondContact O-CB 3.44Å; L105-V108 PolarHBondContact O-N 3.42Å; A106-V108 VanDerWaalsContact C-N 3.35Å; A106-V108 PolarHBondContact O-N 3.5Å; V108-D111 PolarHBondContact O-N 3.46Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.18Å; V108-R112 PolarHBondContact O-N 2.86Å; V108-R112 VanDerWaalsContact O-N 3.15Å; V108-V228 HydrophobicContact CG1-CG2 3.94Å; V108-L288 HydrophobicContact CG1-CD1 3.26Å
109S91.3Very high87.7Confident0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-63.1-43.2176.6-160.10000112.2L105 A106 F107 R112 C113 S198L105-S109 PolarHBondContact O-N 3.21Å; A106-S109 WeakPolarHBondContact O-CB 3.34Å; A106-S109 PolarHBondContact O-N 2.89Å; A106-S109 VanDerWaalsContact O-N 3.16Å; F107-S109 VanDerWaalsContact C-N 3.32Å; S109-R112 PolarHBondContact O-N 3.44Å; S109-C113 WeakPolarHBondContact O-CB 3.35Å; S109-C113 PolarHBondContact O-N 3.37Å; S109-S198 PolarHBondContact OG-OG 3.47Å
110I90.4Very high85.3Confident49 Ų4928 Ų2825%0.25115%0.153SC..Hα-helixtrans-61.3-49.7175.6-68.2162.4000110.9A106 F107 R112 C113 L114 I194A106-I110 WeakPolarHBondContact O-CG1 3.46Å; A106-I110 PolarHBondContact O-N 3.32Å; F107-I110 HydrophobicContact CD1-CD1 4.06Å; F107-I110 PolarHBondContact O-N 3.02Å; I110-R112 PolarHBondContact O-N 3Å; I110-C113 PolarHBondContact O-N 3.42Å; I110-C113 VanDerWaalsContact O-N 3.13Å; I110-L114 HydrophobicContact CG2-CD1 3.65Å; I110-L114 HydrophobicContact CG2-CG 4.04Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.17Å; I110-L114 PolarHBondContact O-N 2.86Å; I110-I194 HydrophobicContact CD1-CG2 3.34Å; I110-I194 HydrophobicContact CG1-CG2 3.48Å; I110-I194 VanDerWaalsContact CG1-CG2 3.48Å
111D88.3Confident83.2Confident8 Ų837.7 Ų37.74%0.04320%0.195CC..Hα-helixtrans-54.2-42.5178.8171.574.1000111.4V49 F107 V108 L114 Q115 Q126V49-D111 WeakPolarHBondContact CB-OD2 3.49Å; F107-D111 WeakPolarHBondContact O-CB 3.27Å; F107-D111 PolarHBondContact O-N 3.25Å; V108-D111 PolarHBondContact O-N 3.46Å; D111-L114 PolarHBondContact O-N 3.08Å; D111-Q115 VanDerWaalsContact CG-NE2 3.27Å; D111-Q115 WeakPolarHBondContact O-CG 3.3Å; D111-Q115 PolarHBondContact O-N 3.32Å; D111-Q115 PolarHBondContact OD1-NE2 3.15Å; D111-Q115 PolarHBondContact OD2-NE2 2.89Å; D111-Q126 PolarHBondContact O-NE2 3.31Å
112R86.4Confident81.6Confident20 Ų2040 Ų408%0.07521%0.207CC..Hα-helixtrans-69.7-41.4177.5-63.8-60.2167.7-173.54.8113.3V108 S109 I110 L114 Q115 L116 I225 L288V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.18Å; V108-R112 PolarHBondContact O-N 2.86Å; V108-R112 VanDerWaalsContact O-N 3.15Å; S109-R112 PolarHBondContact O-N 3.44Å; I110-R112 PolarHBondContact O-N 3Å; R112-L114 VanDerWaalsContact C-N 3.3Å; R112-L114 PolarHBondContact O-N 3.32Å; R112-Q115 PolarHBondContact O-N 2.95Å; R112-L116 PolarHBondContact O-N 3.3Å; R112-I225 HydrophobicContact CB-CD1 3.6Å; R112-I225 HydrophobicContact CB-CG1 3.57Å; R112-I225 HydrophobicContact CG-CG1 4.32Å; R112-L288 PolarHBondContact NH2-O 3.38Å
113C85.4Confident80.1Confident8 Ų846.5 Ų46.55%0.05423%0.232CC..Hα-helixtrans-62-40.6174.5-1740000111.4S109 I110 L116 T117 V202S109-C113 WeakPolarHBondContact O-CB 3.35Å; S109-C113 PolarHBondContact O-N 3.37Å; I110-C113 PolarHBondContact O-N 3.42Å; I110-C113 VanDerWaalsContact O-N 3.13Å; C113-L116 PolarHBondContact O-N 3.18Å; C113-T117 WeakPolarHBondContact O-CG2 3.43Å; C113-T117 PolarHBondContact O-N 3.4Å; C113-V202 HydrophobicContact CB-CG2 4.23Å
114L85.5Confident78.7Confident28 Ų2855.7 Ų55.715%0.14727%0.267CS..Hα-helixtrans-68.9-34.8179.5-70.7176.7000112.9I110 D111 R112 L116 T117 I122 I125I110-L114 HydrophobicContact CG2-CD1 3.65Å; I110-L114 HydrophobicContact CG2-CG 4.04Å; I110-L114 WeakPolarHBondContact O-CB 3.4Å; I110-L114 VanDerWaalsContact O-CG 3.3Å; I110-L114 WeakPolarHBondContact O-CG 3.17Å; I110-L114 PolarHBondContact O-N 2.86Å; D111-L114 PolarHBondContact O-N 3.08Å; R112-L114 VanDerWaalsContact C-N 3.3Å; R112-L114 PolarHBondContact O-N 3.32Å; L114-L116 PolarHBondContact O-N 3.2Å; L114-T117 PolarHBondContact O-N 3.38Å; L114-T117 PolarHBondContact O-OG1 2.9Å; L114-I122 HydrophobicContact CD1-CG2 3.74Å; L114-I122 HydrophobicContact CD2-CB 4.49Å; L114-I122 HydrophobicContact CD2-CD1 3.8Å; L114-I122 HydrophobicContact CD2-CG2 3.75Å; L114-I122 HydrophobicContact CG-CG2 4.29Å; L114-I125 HydrophobicContact CD1-CG2 4.14Å
115Q80.4Confident77.7Confident76 Ų7659.3 Ų59.336%0.35529%0.286SS..Hα-helixtrans-61.1-28.5173.3-77.516726.900112.4D111 R112D111-Q115 VanDerWaalsContact CG-NE2 3.27Å; D111-Q115 WeakPolarHBondContact O-CG 3.3Å; D111-Q115 PolarHBondContact O-N 3.32Å; D111-Q115 PolarHBondContact OD1-NE2 3.15Å; D111-Q115 PolarHBondContact OD2-NE2 2.89Å; R112-Q115 PolarHBondContact O-N 2.95Å
116L76.6Confident77Confident22 Ų2261.1 Ų61.112%0.11529%0.294CS..Hα-helixtrans-88.5-30.3-179.6-65.6176.7000114.2R112 C113 L114 H118 V202 V218 A221R112-L116 PolarHBondContact O-N 3.3Å; C113-L116 PolarHBondContact O-N 3.18Å; L114-L116 PolarHBondContact O-N 3.2Å; L116-H118 PolarHBondContact O-N 3.28Å; L116-V202 HydrophobicContact CD1-CB 4.42Å; L116-V202 HydrophobicContact CD1-CG1 3.75Å; L116-V202 HydrophobicContact CD1-CG2 4Å; L116-V218 HydrophobicContact CD1-CG1 4.44Å; L116-V218 HydrophobicContact CD2-CB 4.42Å; L116-V218 HydrophobicContact CD2-CG2 4.21Å; L116-A221 HydrophobicContact CD1-CB 3.36Å; L116-A221 HydrophobicContact CD2-CB 3.56Å; L116-A221 HydrophobicContact CG-CB 3.61Å
117T72.4Confident76.6Confident52 Ų5265.7 Ų65.732%0.31932%0.315SS..Hα-helixtrans-73.1-10.8-179.554.20000113.4C113 L114 S119C113-T117 WeakPolarHBondContact O-CG2 3.43Å; C113-T117 PolarHBondContact O-N 3.4Å; L114-T117 PolarHBondContact O-N 3.38Å; L114-T117 PolarHBondContact O-OG1 2.9Å; T117-S119 PolarHBondContact O-N 3.28Å
118H63Low76.3Confident126 Ų12666.4 Ų66.458%0.58332%0.323SS*.THydrogen-bonded Turntrans44.733.3178.9-80.4-76.6000113.9L116 C120L116-H118 PolarHBondContact O-N 3.28Å; H118-C120 PolarHBondContact O-N 2.85Å
119S56.7Low76.2Confident60 Ų6068.6 Ų68.642%0.4235%0.346SS..  trans-85.1100.4-176-153.50000109.3T117 K121 I122T117-S119 PolarHBondContact O-N 3.28Å; S119-K121 PolarHBondContact O-N 2.99Å; S119-I122 PolarHBondContact O-N 3.48Å
120C48.9Very low76.1Confident99 Ų9971.7 Ų71.767%0.66936%0.36SS*.THydrogen-bonded Turntrans-54.6-14-175.5-670000115.2H118 Y123H118-C120 PolarHBondContact O-N 2.85Å; C120-Y123 HydrophobicContact CB-CE2 4.18Å; C120-Y123 VanDerWaalsContact O-CD2 3.31Å; C120-Y123 WeakPolarHBondContact O-CD2 3.37Å
121K54Low76.2Confident204 Ų20469.4 Ų69.489%0.88735%0.348SS*.THydrogen-bonded Turntrans-81.4-10176.5-67.4-177.5179179.60113.9S119S119-K121 PolarHBondContact O-N 2.99Å
122I64.3Low76.5Confident50 Ų5074.4 Ų74.426%0.25637%0.369SS..  trans-106.22-170.3-53.9176.8000113.5L114 S119 R124 I125L114-I122 HydrophobicContact CD1-CG2 3.74Å; L114-I122 HydrophobicContact CD2-CB 4.49Å; L114-I122 HydrophobicContact CD2-CD1 3.8Å; L114-I122 HydrophobicContact CD2-CG2 3.75Å; L114-I122 HydrophobicContact CG-CG2 4.29Å; S119-I122 PolarHBondContact O-N 3.48Å; I122-R124 PolarHBondContact O-N 3.26Å; I122-I125 HydrophobicContact CG2-CB 3.99Å; I122-I125 HydrophobicContact CG2-CD1 3.89Å; I122-I125 HydrophobicContact CG2-CG1 4.11Å; I122-I125 PolarHBondContact O-N 3.44Å
123Y64.9Low77Confident135 Ų13578.6 Ų78.653%0.52939%0.391SS..G310 helixtrans-53-32.4-179.1-81-70.6000114.1C120 I125 Q126 E127C120-Y123 HydrophobicContact CB-CE2 4.18Å; C120-Y123 VanDerWaalsContact O-CD2 3.31Å; C120-Y123 WeakPolarHBondContact O-CD2 3.37Å; Y123-I125 VanDerWaalsContact C-N 3.29Å; Y123-I125 PolarHBondContact O-N 2.86Å; Y123-Q126 PolarHBondContact O-N 2.87Å; Y123-E127 PolarHBondContact O-N 3.36Å
124R69.3Low77.5Confident194 Ų19480 Ų8073%0.73240%0.397SS*.G310 helixtrans-62.1-30.9178.7-162.8172.2-176.2168.90.4113.9I122 Q126 E127 F130I122-R124 PolarHBondContact O-N 3.26Å; R124-Q126 VanDerWaalsContact C-N 3.3Å; R124-E127 WeakPolarHBondContact O-CB 3.35Å; R124-E127 PolarHBondContact O-N 2.89Å; R124-F130 WeakPolarHBondContact O-CB 3.3Å
125I76.3Confident78Confident76 Ų7678.7 Ų78.739%0.3939%0.391SS..G310 helixtrans-75.1-24.6177.2-59.9-174.8000111.1L114 I122 Y123 E127 F130L114-I125 HydrophobicContact CD1-CG2 4.14Å; I122-I125 HydrophobicContact CG2-CB 3.99Å; I122-I125 HydrophobicContact CG2-CD1 3.89Å; I122-I125 HydrophobicContact CG2-CG1 4.11Å; I122-I125 PolarHBondContact O-N 3.44Å; Y123-I125 VanDerWaalsContact C-N 3.29Å; Y123-I125 PolarHBondContact O-N 2.86Å; I125-E127 VanDerWaalsContact C-N 3.3Å; I125-F130 HydrophobicContact CG2-CD1 4.14Å; I125-F130 HydrophobicContact CG2-CE1 3.86Å; I125-F130 WeakPolarHBondContact O-CD1 3.43Å
126Q80.2Confident78.8Confident43 Ų4379 Ų7920%0.20140%0.398CS..G310 helixtrans-89.83.6178-65.8-179.4-40.700112.7C48 D111 Y123 R124C48-Q126 VanDerWaalsContact CB-O 3.25Å; C48-Q126 WeakPolarHBondContact CB-O 3.47Å; D111-Q126 PolarHBondContact O-NE2 3.31Å; Y123-Q126 PolarHBondContact O-N 2.87Å; R124-Q126 VanDerWaalsContact C-N 3.3Å
127E86.8Confident79.9Confident96 Ų9681.4 Ų81.445%0.44941%0.413SS..SBendtrans-72139.4174.8-72.7178.4-174.500111.4Y123 R124 I125 G129 F130 A131Y123-E127 PolarHBondContact O-N 3.36Å; R124-E127 WeakPolarHBondContact O-CB 3.35Å; R124-E127 PolarHBondContact O-N 2.89Å; I125-E127 VanDerWaalsContact C-N 3.3Å; E127-G129 PolarHBondContact O-N 3.16Å; E127-F130 HydrophobicContact CB-CB 4.49Å; E127-F130 PolarHBondContact O-N 3.15Å; E127-A131 PolarHBondContact O-N 2.85Å; E127-A131 VanDerWaalsContact O-N 3.11Å
128P87.9Confident81.1Confident48 Ų4879.1 Ų79.131%0.31240%0.399SS..Hα-helixtrans-62.6-27.4176.225.4-33.5000112.6I51 A131 K132I51-P128 HydrophobicContact CD1-CB 3.5Å; I51-P128 VanDerWaalsContact CD1-O 3.25Å; I51-P128 WeakPolarHBondContact CD1-O 3.23Å; P128-A131 PolarHBondContact O-N 3.47Å; P128-K132 WeakPolarHBondContact O-CG 3.43Å; P128-K132 PolarHBondContact O-N 2.94Å
129G90.2Very high82.7Confident46 Ų4675 Ų7547%0.47438%0.379SS..Hα-helixtrans-63.6-47.2174.200000112.3E127 A131 K132 M133E127-G129 PolarHBondContact O-N 3.16Å; G129-A131 VanDerWaalsContact C-N 3.35Å; G129-A131 PolarHBondContact O-N 3.13Å; G129-K132 PolarHBondContact O-N 3.25Å; G129-M133 PolarHBondContact O-N 2.88Å; G129-M133 VanDerWaalsContact O-N 3.07Å
130F90.9Very high84.7Confident66 Ų6677.5 Ų77.529%0.28939%0.387SS..Hα-helixtrans-60.9-44.8175.2-177.4-95.1000111.3R124 I125 E127 K132 M133 I134R124-F130 WeakPolarHBondContact O-CB 3.3Å; I125-F130 HydrophobicContact CG2-CD1 4.14Å; I125-F130 HydrophobicContact CG2-CE1 3.86Å; I125-F130 WeakPolarHBondContact O-CD1 3.43Å; E127-F130 HydrophobicContact CB-CB 4.49Å; E127-F130 PolarHBondContact O-N 3.15Å; F130-K132 VanDerWaalsContact C-N 3.32Å; F130-K132 PolarHBondContact O-N 3.36Å; F130-M133 HydrophobicContact CD2-CE 3.7Å; F130-M133 HydrophobicContact CE2-CE 3.73Å; F130-M133 PolarHBondContact O-N 3.48Å; F130-I134 HydrophobicContact CD1-CG2 4.43Å; F130-I134 HydrophobicContact CE1-CB 4.3Å; F130-I134 HydrophobicContact CE1-CG2 4.25Å; F130-I134 WeakPolarHBondContact O-CG2 3.44Å; F130-I134 PolarHBondContact O-N 3.49Å
131A92.8Very high87Confident0 Ų076.3 Ų76.30%037%0.372CS..Hα-helixtrans-58.1-41.2177.600000112.7C48 I51 Y52 E127 P128 G129 I134 S135C48-A131 HydrophobicContact CB-CB 4.15Å; C48-A131 VanDerWaalsContact SG-CB 3.58Å; I51-A131 HydrophobicContact CB-CB 4.08Å; I51-A131 HydrophobicContact CD1-CB 3.81Å; I51-A131 HydrophobicContact CG2-CB 4.08Å; Y52-A131 HydrophobicContact CE1-CB 3.87Å; E127-A131 PolarHBondContact O-N 2.85Å; E127-A131 VanDerWaalsContact O-N 3.11Å; P128-A131 PolarHBondContact O-N 3.47Å; G129-A131 VanDerWaalsContact C-N 3.35Å; G129-A131 PolarHBondContact O-N 3.13Å; A131-I134 WeakPolarHBondContact O-CG2 2.97Å; A131-S135 VanDerWaalsContact O-CB 3.24Å; A131-S135 WeakPolarHBondContact O-CB 3.18Å; A131-S135 PolarHBondContact O-N 3.37Å; A131-S135 PolarHBondContact O-OG 2.93Å
132K94.6Very high89.1Confident114 Ų11466.7 Ų66.750%0.49633%0.331SS..Hα-helixtrans-65.3-46.3175.5-73174.1-175.4-179.10112I51 P128 G129 F130 S135 T136I51-K132 HydrophobicContact CD1-CG 3.98Å; I51-K132 HydrophobicContact CG2-CG 4.26Å; P128-K132 WeakPolarHBondContact O-CG 3.43Å; P128-K132 PolarHBondContact O-N 2.94Å; G129-K132 PolarHBondContact O-N 3.25Å; F130-K132 VanDerWaalsContact C-N 3.32Å; F130-K132 PolarHBondContact O-N 3.36Å; K132-S135 PolarHBondContact O-N 3.2Å; K132-T136 PolarHBondContact O-N 3.02Å; K132-T136 PolarHBondContact O-OG1 3.24Å
133M95.6Very high90.5Very high107 Ų10767.3 Ų67.353%0.52733%0.334SS..Hα-helixtrans-60.4-52.7179.1-177.6-168.371.500111G129 F130 S135 T136 V137G129-M133 PolarHBondContact O-N 2.88Å; G129-M133 VanDerWaalsContact O-N 3.07Å; F130-M133 HydrophobicContact CD2-CE 3.7Å; F130-M133 HydrophobicContact CE2-CE 3.73Å; F130-M133 PolarHBondContact O-N 3.48Å; M133-S135 VanDerWaalsContact C-N 3.32Å; M133-S135 PolarHBondContact O-N 3.41Å; M133-T136 WeakPolarHBondContact O-CB 3.49Å; M133-T136 PolarHBondContact O-N 3.02Å; M133-T136 VanDerWaalsContact O-N 3.17Å; M133-V137 WeakPolarHBondContact O-CG2 3.5Å; M133-V137 PolarHBondContact O-N 2.91Å
134I96.1Very high91.9Very high37 Ų3767.1 Ų67.119%0.1934%0.342CS..Hα-helixtrans-65.6-36.3-178.4-16464.3000111.8Y52 F107 F130 A131 T136 V137 V138Y52-I134 HydrophobicContact CE1-CG2 3.89Å; F107-I134 HydrophobicContact CE2-CG1 3.78Å; F107-I134 HydrophobicContact CE2-CG2 4.16Å; F107-I134 HydrophobicContact CZ-CD1 4.48Å; F107-I134 HydrophobicContact CZ-CG1 3.67Å; F130-I134 HydrophobicContact CD1-CG2 4.43Å; F130-I134 HydrophobicContact CE1-CB 4.3Å; F130-I134 HydrophobicContact CE1-CG2 4.25Å; F130-I134 WeakPolarHBondContact O-CG2 3.44Å; F130-I134 PolarHBondContact O-N 3.49Å; A131-I134 WeakPolarHBondContact O-CG2 2.97Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.35Å; I134-V137 PolarHBondContact O-N 2.89Å; I134-V138 WeakPolarHBondContact O-CG2 3.28Å; I134-V138 PolarHBondContact O-N 2.84Å
135S97.1Very high93Very high2 Ų259 Ų591%0.01431%0.313CS..Hα-helixtrans-61.3-43.2174.5-58.60000111.1N55 F104 A131 K132 M133 V137 V138 W139N55-S135 PolarHBondContact ND2-OG 3.38Å; F104-S135 WeakPolarHBondContact CE1-OG 3.35Å; A131-S135 VanDerWaalsContact O-CB 3.24Å; A131-S135 WeakPolarHBondContact O-CB 3.18Å; A131-S135 PolarHBondContact O-N 3.37Å; A131-S135 PolarHBondContact O-OG 2.93Å; K132-S135 PolarHBondContact O-N 3.2Å; M133-S135 VanDerWaalsContact C-N 3.32Å; M133-S135 PolarHBondContact O-N 3.41Å; S135-V137 PolarHBondContact O-N 3.32Å; S135-V138 PolarHBondContact O-N 3.34Å; S135-W139 PolarHBondContact O-N 2.88Å
136T97.4Very high93.7Very high81 Ų8155.7 Ų55.750%0.49730%0.295SS..Hα-helixtrans-60.9-44.9176.8-53.90000111.2K132 M133 I134 V138 W139 L140K132-T136 PolarHBondContact O-N 3.02Å; K132-T136 PolarHBondContact O-OG1 3.24Å; M133-T136 WeakPolarHBondContact O-CB 3.49Å; M133-T136 PolarHBondContact O-N 3.02Å; M133-T136 VanDerWaalsContact O-N 3.17Å; I134-T136 VanDerWaalsContact C-N 3.32Å; I134-T136 PolarHBondContact O-N 3.35Å; T136-V138 VanDerWaalsContact C-N 3.34Å; T136-V138 PolarHBondContact O-N 3.23Å; T136-W139 PolarHBondContact O-N 2.98Å; T136-L140 HydrophobicContact CG2-CD1 4.23Å; T136-L140 WeakPolarHBondContact O-CG 3.48Å; T136-L140 PolarHBondContact O-N 3.42Å
137V97.9Very high94.1Very high74 Ų7456.3 Ų56.345%0.44830%0.302SS..Hα-helixtrans-60.4-44176.3172.90000111.4M133 I134 S135 L140 M141M133-V137 WeakPolarHBondContact O-CG2 3.5Å; M133-V137 PolarHBondContact O-N 2.91Å; I134-V137 PolarHBondContact O-N 2.89Å; S135-V137 PolarHBondContact O-N 3.32Å; V137-L140 PolarHBondContact O-N 2.95Å; V137-M141 WeakPolarHBondContact O-CB 3.42Å; V137-M141 PolarHBondContact O-N 3.33Å
138V98Very high94.1Very high4 Ų453.4 Ų53.42%0.02429%0.291CS..Hα-helixtrans-62-45.6178.1165.10000111.7L100 I103 F104 F107 I134 S135 T136 M141 V142L100-V138 HydrophobicContact CD2-CG1 3.75Å; I103-V138 HydrophobicContact CB-CG1 4.15Å; I103-V138 HydrophobicContact CD1-CG1 3.9Å; I103-V138 HydrophobicContact CG2-CB 4.35Å; I103-V138 HydrophobicContact CG2-CG1 3.69Å; I103-V138 HydrophobicContact CG2-CG2 3.67Å; F104-V138 HydrophobicContact CE2-CG1 4.34Å; F104-V138 HydrophobicContact CZ-CB 4.48Å; F104-V138 HydrophobicContact CZ-CG1 4.08Å; F107-V138 HydrophobicContact CE2-CG2 3.77Å; F107-V138 HydrophobicContact CZ-CG2 4.08Å; I134-V138 WeakPolarHBondContact O-CG2 3.28Å; I134-V138 PolarHBondContact O-N 2.84Å; S135-V138 PolarHBondContact O-N 3.34Å; T136-V138 VanDerWaalsContact C-N 3.34Å; T136-V138 PolarHBondContact O-N 3.23Å; V138-M141 PolarHBondContact O-N 3.21Å; V138-V142 HydrophobicContact CG1-CG2 4.46Å; V138-V142 WeakPolarHBondContact O-CG2 3.41Å; V138-V142 PolarHBondContact O-N 3.26Å
139W98.1Very high93.8Very high40 Ų4051.3 Ų51.315%0.15228%0.278CS..Hα-helixtrans-58.6-50175.2-85.8104.8000111.9N55 T58 A59 L62 I96 L100 F104 S135 T136 M141 V142 L143N55-W139 PolarHBondContact OD1-NE1 3.19Å; T58-W139 HydrophobicContact CG2-CH2 4.21Å; T58-W139 HydrophobicContact CG2-CZ2 3.97Å; A59-W139 HydrophobicContact CB-CH2 4.34Å; A59-W139 HydrophobicContact CB-CZ2 4.43Å; L62-W139 HydrophobicContact CD1-CH2 3.62Å; L62-W139 HydrophobicContact CD1-CZ3 3.7Å; I96-W139 HydrophobicContact CG2-CZ3 4.27Å; L100-W139 HydrophobicContact CD1-CD2 3.92Å; L100-W139 HydrophobicContact CD1-CE3 3.57Å; L100-W139 HydrophobicContact CD1-CH2 3.25Å; L100-W139 HydrophobicContact CD1-CZ2 3.6Å; L100-W139 HydrophobicContact CD1-CZ3 3.23Å; L100-W139 HydrophobicContact CD2-CD2 4.01Å; L100-W139 HydrophobicContact CD2-CE3 4.22Å; L100-W139 HydrophobicContact CD2-CG 4.34Å; F104-W139 AromaticContact CZ-NE1 3.95Å; S135-W139 PolarHBondContact O-N 2.88Å; T136-W139 PolarHBondContact O-N 2.98Å; W139-M141 VanDerWaalsContact C-N 3.32Å; W139-M141 PolarHBondContact O-N 2.9Å; W139-V142 PolarHBondContact O-N 3.15Å; W139-L143 HydrophobicContact CE3-CD1 4.36Å; W139-L143 HydrophobicContact CE3-CG 4.48Å; W139-L143 VanDerWaalsContact O-CB 3.27Å; W139-L143 WeakPolarHBondContact O-CB 3.28Å; W139-L143 WeakPolarHBondContact O-CG 3.46Å; W139-L143 PolarHBondContact O-N 3.05Å
140L97.9Very high93.4Very high111 Ų11150.2 Ų50.258%0.58126%0.26SS*.Hα-helixtrans-60.7-42.4179.1-68.5174.8000111.7T136 V137 L144T136-L140 HydrophobicContact CG2-CD1 4.23Å; T136-L140 WeakPolarHBondContact O-CG 3.48Å; T136-L140 PolarHBondContact O-N 3.42Å; V137-L140 PolarHBondContact O-N 2.95Å; L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 PolarHBondContact O-N 3.03Å
141M97.3Very high92.8Very high75 Ų7553.6 Ų53.637%0.36928%0.279SS..Hα-helixtrans-62.1-51.2177.3-176.2-136.9-72.100111.6V137 V138 W139 L143 L144 I145 I187V137-M141 WeakPolarHBondContact O-CB 3.42Å; V137-M141 PolarHBondContact O-N 3.33Å; V138-M141 PolarHBondContact O-N 3.21Å; W139-M141 VanDerWaalsContact C-N 3.32Å; W139-M141 PolarHBondContact O-N 2.9Å; M141-L143 PolarHBondContact O-N 2.87Å; M141-L144 PolarHBondContact O-N 3.17Å; M141-I145 HydrophobicContact CG-CD1 4.02Å; M141-I145 WeakPolarHBondContact O-CD1 3.45Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 2.91Å; M141-I145 HydrophobicContact SD-CD1 4.18Å; M141-I187 HydrophobicContact SD-CD1 4.25Å
142V97.1Very high92.1Very high2 Ų254.4 Ų54.41%0.01228%0.283CS..Hα-helixtrans-64.5-41.9-178.9173.40000110.8I96 L100 I103 V138 W139 I145 M146I96-V142 HydrophobicContact CB-CG1 4.32Å; I96-V142 HydrophobicContact CG1-CG1 4.18Å; I96-V142 HydrophobicContact CG2-CG1 4.14Å; L100-V142 HydrophobicContact CD2-CB 4.07Å; L100-V142 HydrophobicContact CD2-CG1 4.36Å; L100-V142 HydrophobicContact CD2-CG2 3.9Å; L100-V142 HydrophobicContact CG-CB 4.49Å; L100-V142 HydrophobicContact CG-CG1 4.23Å; L100-V142 HydrophobicContact CG-CG2 4.44Å; I103-V142 HydrophobicContact CD1-CG2 3.94Å; V138-V142 HydrophobicContact CG1-CG2 4.46Å; V138-V142 WeakPolarHBondContact O-CG2 3.41Å; V138-V142 PolarHBondContact O-N 3.26Å; W139-V142 PolarHBondContact O-N 3.15Å; V142-I145 PolarHBondContact O-N 3.23Å; V142-M146 HydrophobicContact CG1-CG 4.33Å; V142-M146 WeakPolarHBondContact O-CB 3.23Å; V142-M146 VanDerWaalsContact O-CG 3.28Å; V142-M146 WeakPolarHBondContact O-CG 3.28Å; V142-M146 PolarHBondContact O-N 3.47Å
143L95.4Very high90.9Very high62 Ų6252.9 Ų52.933%0.32528%0.284SS..Hα-helixtrans-63.8-41.9175.4-70.1173.2000111.5I96 W139 M141 I145 M146 V147I96-L143 HydrophobicContact CD1-CD2 3.95Å; W139-L143 HydrophobicContact CE3-CD1 4.36Å; W139-L143 HydrophobicContact CE3-CG 4.48Å; W139-L143 VanDerWaalsContact O-CB 3.27Å; W139-L143 WeakPolarHBondContact O-CB 3.28Å; W139-L143 WeakPolarHBondContact O-CG 3.46Å; W139-L143 PolarHBondContact O-N 3.05Å; M141-L143 PolarHBondContact O-N 2.87Å; L143-I145 VanDerWaalsContact C-N 3.27Å; L143-I145 PolarHBondContact O-N 3.39Å; L143-M146 PolarHBondContact O-N 3.38Å; L143-V147 HydrophobicContact CB-CG2 4.22Å; L143-V147 HydrophobicContact CD2-CG2 4.27Å; L143-V147 WeakPolarHBondContact O-CB 3.32Å; L143-V147 WeakPolarHBondContact O-CG2 3.16Å; L143-V147 PolarHBondContact O-N 3.47Å
144L94.3Very high90.2Very high132 Ų13249.8 Ų49.869%0.69127%0.27SS*.Hα-helixtrans-61.3-36.4177.5-176.267.5000112.2L140 M141 P148L140-L144 WeakPolarHBondContact O-CB 3.43Å; L140-L144 PolarHBondContact O-N 3.03Å; M141-L144 PolarHBondContact O-N 3.17Å; L144-P148 WeakPolarHBondContact O-CD 3.1Å; L144-P148 VanDerWaalsContact O-CG 3.24Å; L144-P148 WeakPolarHBondContact O-CG 3.23Å
145I92.4Very high89.3Confident24 Ų2452.9 Ų52.912%0.12328%0.282CS..Hα-helixtrans-72.2-39.6176.7-67.2163.7000111M141 V142 L143 N149 T180 I183 I187M141-I145 HydrophobicContact CG-CD1 4.02Å; M141-I145 WeakPolarHBondContact O-CD1 3.45Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.38Å; M141-I145 PolarHBondContact O-N 2.91Å; M141-I145 HydrophobicContact SD-CD1 4.18Å; V142-I145 PolarHBondContact O-N 3.23Å; L143-I145 VanDerWaalsContact C-N 3.27Å; L143-I145 PolarHBondContact O-N 3.39Å; I145-N149 PolarHBondContact O-ND2 3.19Å; I145-T180 HydrophobicContact CG2-CG2 3.69Å; I145-I183 HydrophobicContact CD1-CG2 3.79Å; I145-I183 HydrophobicContact CG1-CG2 4.37Å; I145-I187 HydrophobicContact CD1-CD1 3.79Å
146M90.9Very high88.4Confident6 Ų660.8 Ų60.83%0.0332%0.324CS..Hα-helixtrans-92-39.4-169.9-67.4-63.7179.400114.9I96 Y99 V142 L143 N149 T180 C184I96-M146 HydrophobicContact CD1-CB 3.92Å; I96-M146 HydrophobicContact CD1-CG 4.49Å; I96-M146 HydrophobicContact CG1-CB 3.62Å; I96-M146 HydrophobicContact CG1-CG 3.65Å; Y99-M146 HydrophobicContact CD2-CE 3.32Å; Y99-M146 HydrophobicContact CE2-CE 3.49Å; Y99-M146 VanDerWaalsContact CE2-CE 3.49Å; Y99-M146 HydrophobicContact CG-CE 4.46Å; V142-M146 HydrophobicContact CG1-CG 4.33Å; V142-M146 WeakPolarHBondContact O-CB 3.23Å; V142-M146 VanDerWaalsContact O-CG 3.28Å; V142-M146 WeakPolarHBondContact O-CG 3.28Å; V142-M146 PolarHBondContact O-N 3.47Å; L143-M146 PolarHBondContact O-N 3.38Å; M146-N149 VanDerWaalsContact O-CB 3.31Å; M146-N149 WeakPolarHBondContact O-CB 3.32Å; M146-N149 PolarHBondContact O-N 2.84Å; M146-T180 HydrophobicContact CE-CG2 4.41Å; M146-T180 HydrophobicContact SD-CG2 4.15Å; M146-C184 WeakPolarHBondContact CE-SG 3.37Å
147V88.4Confident87.4Confident56 Ų5658.9 Ų58.934%0.33931%0.31SS..Hα-helixtrans-58.7-39.7-176.3170.30000113L143 N149 M150 M151L143-V147 HydrophobicContact CB-CG2 4.22Å; L143-V147 HydrophobicContact CD2-CG2 4.27Å; L143-V147 WeakPolarHBondContact O-CB 3.32Å; L143-V147 WeakPolarHBondContact O-CG2 3.16Å; L143-V147 PolarHBondContact O-N 3.47Å; V147-N149 PolarHBondContact O-N 3.36Å; V147-M150 HydrophobicContact CG2-SD 4.46Å; V147-M150 WeakPolarHBondContact O-CA 3.25Å; V147-M150 VanDerWaalsContact O-CB 3.23Å; V147-M150 WeakPolarHBondContact O-CB 3.43Å; V147-M150 PolarHBondContact O-N 2.88Å; V147-M151 HydrophobicContact CG1-CG 4.13Å; V147-M151 PolarHBondContact O-N 3.09Å; V147-M151 VanDerWaalsContact O-N 3.14Å
148P86.4Confident86.4Confident34 Ų3464 Ų6422%0.22133%0.327CS..Hα-helixtrans-59.9-32.5175.7-24.835.2000112.5L144 M150 M151 I152 W176L144-P148 WeakPolarHBondContact O-CD 3.1Å; L144-P148 VanDerWaalsContact O-CG 3.24Å; L144-P148 WeakPolarHBondContact O-CG 3.23Å; P148-M150 PolarHBondContact O-N 3.08Å; P148-M151 PolarHBondContact O-N 2.91Å; P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.19Å; P148-I152 PolarHBondContact O-N 3.36Å; P148-W176 HydrophobicContact CB-CZ2 3.83Å; P148-W176 HydrophobicContact CG-CZ2 3.81Å
149N81.6Confident85.5Confident5 Ų570.6 Ų70.63%0.02736%0.357CS..Hα-helixtrans-64.2-24.2174-78.4-76.1000113.4I145 M146 V147 K169 W176 T180I145-N149 PolarHBondContact O-ND2 3.19Å; M146-N149 VanDerWaalsContact O-CB 3.31Å; M146-N149 WeakPolarHBondContact O-CB 3.32Å; M146-N149 PolarHBondContact O-N 2.84Å; V147-N149 PolarHBondContact O-N 3.36Å; N149-K169 PolarHBondContact O-NZ 3.09Å; N149-W176 PolarHBondContact ND2-NE1 3.23Å; N149-T180 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T180 PolarHBondContact ND2-OG1 2.93Å
150M82.4Confident84.4Confident23 Ų2375 Ų7511%0.11338%0.377CS..Hα-helixtrans-78.9-41174.9-46.3-175.5169.600111.7Q88 C92 I96 V147 P148Q88-M150 VanDerWaalsContact O-CA 3.23Å; Q88-M150 WeakPolarHBondContact O-CA 3.03Å; Q88-M150 WeakPolarHBondContact O-CB 3.39Å; Q88-M150 WeakPolarHBondContact O-CG 3.1Å; C92-M150 HydrophobicContact CB-CE 3.33Å; C92-M150 HydrophobicContact CB-CG 3.79Å; C92-M150 HydrophobicContact CB-SD 4.36Å; I96-M150 HydrophobicContact CD1-CE 3.61Å; V147-M150 HydrophobicContact CG2-SD 4.46Å; V147-M150 WeakPolarHBondContact O-CA 3.25Å; V147-M150 VanDerWaalsContact O-CB 3.23Å; V147-M150 WeakPolarHBondContact O-CB 3.43Å; V147-M150 PolarHBondContact O-N 2.88Å; P148-M150 PolarHBondContact O-N 3.08Å
151M77.8Confident82.9Confident137 Ų13774.9 Ų74.968%0.67539%0.386SS*.Hα-helixtrans-87.1-21.6-169.8-65.2-65.799.200114.4V147 P148V147-M151 HydrophobicContact CG1-CG 4.13Å; V147-M151 PolarHBondContact O-N 3.09Å; V147-M151 VanDerWaalsContact O-N 3.14Å; P148-M151 PolarHBondContact O-N 2.91Å
152I77.6Confident81.7Confident16 Ų1672.4 Ų72.48%0.08237%0.374CS..SBendtrans-62.7131.1-176.9-72.3161.8000110.8P148 F172 W176P148-I152 WeakPolarHBondContact O-CD1 3.39Å; P148-I152 WeakPolarHBondContact O-CG1 3.19Å; P148-I152 PolarHBondContact O-N 3.36Å; I152-F172 HydrophobicContact CD1-CD1 4.04Å; I152-F172 HydrophobicContact CD1-CE1 3.9Å; I152-F172 HydrophobicContact CG1-CD1 4.19Å; I152-F172 HydrophobicContact CG1-CE1 4.11Å; I152-F172 HydrophobicContact CG2-CD1 4.24Å; I152-W176 HydrophobicContact CD1-CB 3.72Å; I152-W176 HydrophobicContact CD1-CD2 4.45Å; I152-W176 HydrophobicContact CD1-CG 3.71Å
153P69.9Low80.6Confident82 Ų8273.4 Ų73.453%0.53238%0.38SS..PPolyproline II helixtrans-56.7138.1-177.4-26.433.3000113.6K170P153-K170 HydrophobicContact CB-CD 4.45Å
154I80.3Confident79.8Confident42 Ų4270.7 Ų70.722%0.21537%0.367CS..BIsolated β-bridgetrans-89.1162.7174.759.4170.7000112I84 F168 K170I84-I154 HydrophobicContact CD1-CD1 4.37Å; I84-I154 HydrophobicContact CG1-CD1 4.41Å; I84-I154 HydrophobicContact CG2-CD1 3.65Å; I154-F168 CarbonylContact C-O 3.56Å; I154-F168 WeakPolarHBondContact CA-O 3.3Å; I154-F168 HydrophobicContact CB-CB 4.14Å; I154-F168 WeakPolarHBondContact CB-O 3.43Å; I154-F168 HydrophobicContact CD1-CD1 4.45Å; I154-F168 HydrophobicContact CG2-CB 3.95Å; I154-K170 WeakPolarHBondContact O-CE 3.08Å
155K78.3Confident79.3Confident103 Ų10366.3 Ų66.345%0.44835%0.347SS..PPolyproline II helixtrans-80.5140166.8-63.2-179.7-176.8176.90108.8I157 F168 K169 K170K155-I157 HydrophobicContact CB-CD1 4.32Å; K155-I157 HydrophobicContact CB-CG1 4.02Å; K155-I157 PolarHBondContact O-N 3.04Å; K155-F168 PolarHBondContact N-O 3.18Å; K155-K169 WeakPolarHBondContact CE-O 3.42Å; K155-K170 HydrophobicContact CG-CG 3.81Å
156D76.9Confident78.9Confident168 Ų16866.5 Ų66.590%0.89835%0.347SS*.  trans-75.7106.5167.2-68.3-46.1000108.9
157I76.9Confident78.3Confident40 Ų4070.3 Ų70.321%0.20537%0.365CS..  trans-110.3132.2-178.8-59.5169.8000107.9W80 K155 E159 V163 E167 F168W80-I157 HydrophobicContact CZ2-CB 4.4Å; K155-I157 HydrophobicContact CB-CD1 4.32Å; K155-I157 HydrophobicContact CB-CG1 4.02Å; K155-I157 PolarHBondContact O-N 3.04Å; I157-E159 PolarHBondContact O-N 3.33Å; I157-V163 HydrophobicContact CD1-CG1 4.44Å; I157-E167 VanDerWaalsContact CD1-C 3.49Å; I157-E167 HydrophobicContact CD1-CB 4.11Å; I157-E167 VanDerWaalsContact CD1-O 3.28Å; I157-E167 WeakPolarHBondContact CD1-O 3.42Å; I157-F168 HydrophobicContact CD1-CD1 4Å; I157-F168 HydrophobicContact CD1-CE1 4.46Å; I157-F168 HydrophobicContact CD1-CG 4.38Å
158K77.5Confident77.9Confident183 Ų18367.9 Ų67.980%0.79635%0.35SS*.  trans-58.1136.6170.8-69.8-172.5178.5-176.20109.4K160K158-K160 WeakPolarHBondContact O-CG 3.24Å; K158-K160 PolarHBondContact O-N 3.38Å
159E78.7Confident77.7Confident142 Ų14267.2 Ų67.266%0.66434%0.344SS*.  trans-53.2124.6-179.2-177.3164.5-164.900111.3W80 I157W80-E159 HydrophobicContact CD2-CB 4.2Å; W80-E159 HydrophobicContact CD2-CG 4.02Å; W80-E159 HydrophobicContact CE3-CB 4.29Å; W80-E159 HydrophobicContact CE3-CG 3.76Å; W80-E159 HydrophobicContact CG-CG 4.37Å; W80-E159 HydrophobicContact CZ3-CG 4.28Å; I157-E159 PolarHBondContact O-N 3.33Å
160K74.2Confident77.9Confident133 Ų13372 Ų7258%0.57836%0.364SS*.  trans-143.3149.3-178.9-74.7178.5-172.9-177.30109.1W80 K158 N162 V163W80-K160 WeakPolarHBondContact CZ3-O 3.39Å; K158-K160 WeakPolarHBondContact O-CG 3.24Å; K158-K160 PolarHBondContact O-N 3.38Å; K160-N162 PolarHBondContact O-N 2.91Å; K160-V163 HydrophobicContact CB-CG2 3.57Å
161S66.6Low78Confident108 Ų10878 Ų7876%0.75539%0.392SS*.SBendtrans-73.3-25.2-173.152.20000114.8
162N71.4Confident78.4Confident23 Ų2378 Ų7812%0.12339%0.388CS..SBendtrans-122.861.7-173-173.766.1000111.1F7 C8 V10 Y11 K160F7-N162 HydrophobicContact CE2-CB 4.12Å; F7-N162 HydrophobicContact CZ-CB 3.71Å; C8-N162 PolarHBondContact O-ND2 3.5Å; V10-N162 PolarHBondContact N-OD1 2.7Å; Y11-N162 WeakPolarHBondContact CD2-OD1 3.09Å; Y11-N162 PolarHBondContact N-OD1 2.8Å; K160-N162 PolarHBondContact O-N 2.91Å
163V73.8Confident78.8Confident22 Ų2277.2 Ų77.213%0.13338%0.384CS..  trans-118.6124.4-179.91780000109.6W80 I157 K160 E167 F168W80-V163 HydrophobicContact CH2-CB 4.08Å; W80-V163 HydrophobicContact CH2-CG1 4.18Å; W80-V163 HydrophobicContact CH2-CG2 4.12Å; W80-V163 HydrophobicContact CZ3-CB 4.45Å; I157-V163 HydrophobicContact CD1-CG1 4.44Å; K160-V163 HydrophobicContact CB-CG2 3.57Å; V163-E167 HydrophobicContact CG1-CB 3.84Å; V163-F168 HydrophobicContact CG1-CD2 4.23Å; V163-F168 HydrophobicContact CG1-CE2 3.75Å; V163-F168 HydrophobicContact CG1-CZ 3.94Å
164G78.8Confident79.6Confident5 Ų577.2 Ų77.25%0.05237%0.374CS..  trans-93.7168.1175.700000114.8Y11 M166 E167 F168Y11-G164 VanDerWaalsContact OH-CA 3.31Å; Y11-G164 WeakPolarHBondContact OH-CA 3.2Å; G164-M166 PolarHBondContact O-N 3.47Å; G164-M166 VanDerWaalsContact O-N 3.13Å; G164-E167 PolarHBondContact N-OE1 3.36Å; G164-E167 WeakPolarHBondContact O-CB 3.35Å; G164-E167 PolarHBondContact O-N 2.8Å; G164-F168 WeakPolarHBondContact O-CD2 3.23Å
165C85Confident80Confident40 Ų4079.3 Ų79.327%0.2739%0.385SS..THydrogen-bonded Turntrans-57.8-29178.3-61.50000114.8C87 E167C87-C165 WeakPolarHBondContact CA-SG 3.42Å; C87-C165 HydrophobicContact CB-CB 3.54Å; C87-C165 WeakPolarHBondContact CB-SG 3.5Å; C87-C165 WeakPolarHBondContact SG-CA 3.4Å; C87-C165 WeakPolarHBondContact SG-CB 3.37Å; C87-C165 CovalentContact SG-SG 2.04Å; C87-C165 PolarHBondContact SG-SG 3.41Å; C165-E167 VanDerWaalsContact C-N 3.34Å
166M82.6Confident80.5Confident28 Ų2878.1 Ų78.114%0.13838%0.378CS..THydrogen-bonded Turntrans-71.4-28.2177.5-73.8-57.5-69.400113.2G164 F168 K169 R174 H177G164-M166 PolarHBondContact O-N 3.47Å; G164-M166 VanDerWaalsContact O-N 3.13Å; M166-F168 VanDerWaalsContact C-N 3.33Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 4.1Å; M166-R174 HydrophobicContact CE-CB 4.14Å; M166-R174 HydrophobicContact CE-CG 3.63Å; M166-H177 HydrophobicContact CE-CB 4.38Å; M166-H177 HydrophobicContact SD-CB 4.29Å; M166-H177 PolarHBondContact SD-CD2 3.46Å
167E79.6Confident81.1Confident86 Ų8671.3 Ų71.340%0.40234%0.341SS..THydrogen-bonded Turntrans-70.2-35.1179.5-70173.8-127.100111.2I157 V163 G164 C165 K169I157-E167 VanDerWaalsContact CD1-C 3.49Å; I157-E167 HydrophobicContact CD1-CB 4.11Å; I157-E167 VanDerWaalsContact CD1-O 3.28Å; I157-E167 WeakPolarHBondContact CD1-O 3.42Å; V163-E167 HydrophobicContact CG1-CB 3.84Å; G164-E167 PolarHBondContact N-OE1 3.36Å; G164-E167 WeakPolarHBondContact O-CB 3.35Å; G164-E167 PolarHBondContact O-N 2.8Å; C165-E167 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 3.39Å
168F79.1Confident81.7Confident6 Ų671.1 Ų71.13%0.02634%0.34CS..THydrogen-bonded Turntrans-63.5-23.1173.7-69-73.4000113W80 I84 I154 K155 I157 V163 G164 M166W80-F168 AromaticContact CH2-CE1 3.96Å; W80-F168 HydrophobicContact CH2-CE1 3.96Å; W80-F168 AromaticContact CH2-CZ 3.53Å; W80-F168 HydrophobicContact CH2-CZ 3.53Å; W80-F168 AromaticContact CZ2-CE1 3.44Å; W80-F168 HydrophobicContact CZ2-CE1 3.44Å; W80-F168 VanDerWaalsContact CZ2-CE1 3.44Å; W80-F168 AromaticContact CZ2-CZ 3.48Å; W80-F168 HydrophobicContact CZ2-CZ 3.48Å; W80-F168 VanDerWaalsContact CZ2-CZ 3.48Å; W80-F168 HydrophobicContact CZ3-CZ 4.16Å; I84-F168 HydrophobicContact CD1-CE1 4.38Å; I84-F168 HydrophobicContact CG1-CD1 4.4Å; I84-F168 HydrophobicContact CG1-CE1 3.84Å; I84-F168 HydrophobicContact CG1-CZ 4.04Å; I154-F168 CarbonylContact C-O 3.56Å; I154-F168 WeakPolarHBondContact CA-O 3.3Å; I154-F168 HydrophobicContact CB-CB 4.14Å; I154-F168 WeakPolarHBondContact CB-O 3.43Å; I154-F168 HydrophobicContact CD1-CD1 4.45Å; I154-F168 HydrophobicContact CG2-CB 3.95Å; K155-F168 PolarHBondContact N-O 3.18Å; I157-F168 HydrophobicContact CD1-CD1 4Å; I157-F168 HydrophobicContact CD1-CE1 4.46Å; I157-F168 HydrophobicContact CD1-CG 4.38Å; V163-F168 HydrophobicContact CG1-CD2 4.23Å; V163-F168 HydrophobicContact CG1-CE2 3.75Å; V163-F168 HydrophobicContact CG1-CZ 3.94Å; G164-F168 WeakPolarHBondContact O-CD2 3.23Å; M166-F168 VanDerWaalsContact C-N 3.33Å
169K83Confident82.3Confident20 Ų2066.5 Ų66.59%0.08732%0.324CS..BIsolated β-bridgetrans-80135.6-176.2-71.8178.4179.6-78.40111.7N149 K155 M166 E167 H177N149-K169 PolarHBondContact O-NZ 3.09Å; K155-K169 WeakPolarHBondContact CE-O 3.42Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 4.1Å; E167-K169 PolarHBondContact O-N 3.39Å; K169-H177 HydrophobicContact CD-CB 4.34Å
170K85.6Confident83Confident104 Ų10460 Ų6045%0.45229%0.293SS..  trans-66.3168163.7-67.8-176.9-177.6-179.30110.5P153 I154 K155 F172 G173 R174P153-K170 HydrophobicContact CB-CD 4.45Å; I154-K170 WeakPolarHBondContact O-CE 3.08Å; K155-K170 HydrophobicContact CG-CG 3.81Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.33Å; K170-G173 CarbonylContact O-C 3.6Å; K170-G173 WeakPolarHBondContact O-CA 3.28Å; K170-G173 PolarHBondContact O-N 3.49Å; K170-R174 PolarHBondContact O-N 3.2Å
171E85.2Confident83.8Confident150 Ų15054 Ų5470%0.70127%0.268SS*.Hα-helixtrans-52.9-48-178.3-173.2-179171.400112.5G173 R174 N175E171-G173 VanDerWaalsContact C-N 3.29Å; E171-G173 PolarHBondContact O-N 2.95Å; E171-R174 WeakPolarHBondContact O-CB 3.37Å; E171-R174 PolarHBondContact O-N 3.26Å; E171-R174 VanDerWaalsContact O-N 3.09Å; E171-N175 PolarHBondContact O-N 2.91Å
172F85.8Confident85.1Confident136 Ų13655.5 Ų55.560%0.59626%0.261SS*.Hα-helixtrans-55.6-43.1174.3-177.3-100.3000112.5I152 K170 R174 N175 W176I152-F172 HydrophobicContact CD1-CD1 4.04Å; I152-F172 HydrophobicContact CD1-CE1 3.9Å; I152-F172 HydrophobicContact CG1-CD1 4.19Å; I152-F172 HydrophobicContact CG1-CE1 4.11Å; I152-F172 HydrophobicContact CG2-CD1 4.24Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.33Å; F172-R174 PolarHBondContact O-N 2.81Å; F172-N175 PolarHBondContact O-N 3.41Å; F172-W176 HydrophobicContact CZ-CE3 4.43Å; F172-W176 WeakPolarHBondContact O-CB 3.31Å; F172-W176 PolarHBondContact O-N 3.41Å
173G86.4Confident86.2Confident0 Ų057.6 Ų57.60%027%0.271CS..Hα-helixtrans-66.9-33.9177.200000113.8K170 E171 H177K170-G173 CarbonylContact O-C 3.6Å; K170-G173 WeakPolarHBondContact O-CA 3.28Å; K170-G173 PolarHBondContact O-N 3.49Å; E171-G173 VanDerWaalsContact C-N 3.29Å; E171-G173 PolarHBondContact O-N 2.95Å; G173-H177 VanDerWaalsContact O-CB 3.28Å; G173-H177 WeakPolarHBondContact O-CB 3.15Å; G173-H177 PolarHBondContact O-N 3.2Å
174R86.2Confident87.2Confident83 Ų8356.7 Ų56.731%0.31327%0.266SS..Hα-helixtrans-67.9-46.5174.2-179.3169.4-174.3-155.510.4110.8M166 K170 E171 F172 W176 H177 L178 Q250M166-R174 HydrophobicContact CE-CB 4.14Å; M166-R174 HydrophobicContact CE-CG 3.63Å; K170-R174 PolarHBondContact O-N 3.2Å; E171-R174 WeakPolarHBondContact O-CB 3.37Å; E171-R174 PolarHBondContact O-N 3.26Å; E171-R174 VanDerWaalsContact O-N 3.09Å; F172-R174 PolarHBondContact O-N 2.81Å; R174-W176 PolarHBondContact O-N 3.42Å; R174-H177 WeakPolarHBondContact O-CB 3.48Å; R174-H177 PolarHBondContact O-N 3.06Å; R174-L178 WeakPolarHBondContact O-CG 3.49Å; R174-L178 PolarHBondContact O-N 2.97Å; R174-Q250 PolarHBondContact NH2-O 2.89Å
175N88.1Confident88Confident85 Ų8557.4 Ų57.446%0.45527%0.269SS..Hα-helixtrans-63.1-42.9177.5-66.9-16.4000111.4E171 F172 H177 L178 L179E171-N175 PolarHBondContact O-N 2.91Å; F172-N175 PolarHBondContact O-N 3.41Å; N175-H177 VanDerWaalsContact C-N 3.35Å; N175-H177 PolarHBondContact O-N 2.8Å; N175-L178 PolarHBondContact O-N 3.45Å; N175-L179 PolarHBondContact O-N 3.49Å
176W89.5Confident88.5Confident79 Ų7957.6 Ų57.630%0.29927%0.274SS..Hα-helixtrans-62.2-41173.9-171.4-87.5000112.4P148 N149 I152 F172 R174 L179 T180P148-W176 HydrophobicContact CB-CZ2 3.83Å; P148-W176 HydrophobicContact CG-CZ2 3.81Å; N149-W176 PolarHBondContact ND2-NE1 3.23Å; I152-W176 HydrophobicContact CD1-CB 3.72Å; I152-W176 HydrophobicContact CD1-CD2 4.45Å; I152-W176 HydrophobicContact CD1-CG 3.71Å; F172-W176 HydrophobicContact CZ-CE3 4.43Å; F172-W176 WeakPolarHBondContact O-CB 3.31Å; F172-W176 PolarHBondContact O-N 3.41Å; R174-W176 PolarHBondContact O-N 3.42Å; W176-L179 PolarHBondContact O-N 3Å; W176-T180 PolarHBondContact NE1-OG1 3.06Å; W176-T180 WeakPolarHBondContact O-CB 3.38Å; W176-T180 PolarHBondContact O-N 3.48Å; W176-T180 PolarHBondContact O-OG1 2.92Å
177H88.6Confident89.2Confident25 Ų2557.2 Ų57.212%0.11627%0.272CS..Hα-helixtrans-62.3-42.4176.1-174.771000112M166 K169 G173 R174 N175 T180 N181M166-H177 HydrophobicContact CE-CB 4.38Å; M166-H177 HydrophobicContact SD-CB 4.29Å; M166-H177 PolarHBondContact SD-CD2 3.46Å; K169-H177 HydrophobicContact CD-CB 4.34Å; G173-H177 VanDerWaalsContact O-CB 3.28Å; G173-H177 WeakPolarHBondContact O-CB 3.15Å; G173-H177 PolarHBondContact O-N 3.2Å; R174-H177 WeakPolarHBondContact O-CB 3.48Å; R174-H177 PolarHBondContact O-N 3.06Å; N175-H177 VanDerWaalsContact C-N 3.35Å; N175-H177 PolarHBondContact O-N 2.8Å; H177-T180 WeakPolarHBondContact O-CB 3.44Å; H177-T180 PolarHBondContact O-N 3.35Å; H177-N181 PolarHBondContact CD2-ND2 3.46Å; H177-N181 VanDerWaalsContact CD2-ND2 3.3Å; H177-N181 PolarHBondContact NE2-ND2 2.97Å; H177-N181 VanDerWaalsContact O-CG 3.28Å; H177-N181 PolarHBondContact O-N 3.37Å; H177-N181 PolarHBondContact O-ND2 2.81Å
178L89.3Confident90Very high36 Ų3653.9 Ų53.919%0.18826%0.256CS..Hα-helixtrans-61.4-49.6174.8-68.5175.4000111.3R174 N175 T180 N181 F182 T247 T251R174-L178 WeakPolarHBondContact O-CG 3.49Å; R174-L178 PolarHBondContact O-N 2.97Å; N175-L178 PolarHBondContact O-N 3.45Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 2.86Å; L178-N181 WeakPolarHBondContact O-CB 3.44Å; L178-N181 PolarHBondContact O-N 2.7Å; L178-N181 VanDerWaalsContact O-N 3.15Å; L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 PolarHBondContact O-N 3.36Å; L178-T247 HydrophobicContact CD2-CG2 3.36Å; L178-T251 HydrophobicContact CD1-CG2 4.29Å; L178-T251 HydrophobicContact CD2-CG2 4.27Å
179L91.4Very high90.9Very high86 Ų8658.4 Ų58.445%0.4528%0.28SS..Hα-helixtrans-57.3-45.817617762.4000111.6N175 W176 N181 F182 I183N175-L179 PolarHBondContact O-N 3.49Å; W176-L179 PolarHBondContact O-N 3Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.2Å; L179-F182 PolarHBondContact O-N 3.46Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.93Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.48Å
180T92.4Very high91.5Very high4 Ų462.5 Ų62.53%0.02530%0.303CS..Hα-helixtrans-56.7-45.7176.6-60.30000110.8I145 M146 N149 W176 H177 L178 F182 I183 C184I145-T180 HydrophobicContact CG2-CG2 3.69Å; M146-T180 HydrophobicContact CE-CG2 4.41Å; M146-T180 HydrophobicContact SD-CG2 4.15Å; N149-T180 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T180 PolarHBondContact ND2-OG1 2.93Å; W176-T180 PolarHBondContact NE1-OG1 3.06Å; W176-T180 WeakPolarHBondContact O-CB 3.38Å; W176-T180 PolarHBondContact O-N 3.48Å; W176-T180 PolarHBondContact O-OG1 2.92Å; H177-T180 WeakPolarHBondContact O-CB 3.44Å; H177-T180 PolarHBondContact O-N 3.35Å; L178-T180 VanDerWaalsContact C-N 3.31Å; L178-T180 PolarHBondContact O-N 2.86Å; T180-F182 PolarHBondContact O-N 3.46Å; T180-I183 PolarHBondContact O-N 3.45Å; T180-C184 WeakPolarHBondContact O-CB 3.02Å; T180-C184 PolarHBondContact O-N 3.01Å; T180-C184 PolarHBondContact O-SG 3.42Å
181N92.1Very high92Very high9 Ų958.9 Ų58.95%0.04829%0.288CS..Hα-helixtrans-62-41178.2-73.5-28.3000112.4H177 L178 L179 C184 V185 R243 T247H177-N181 PolarHBondContact CD2-ND2 3.46Å; H177-N181 VanDerWaalsContact CD2-ND2 3.3Å; H177-N181 PolarHBondContact NE2-ND2 2.97Å; H177-N181 VanDerWaalsContact O-CG 3.28Å; H177-N181 PolarHBondContact O-N 3.37Å; H177-N181 PolarHBondContact O-ND2 2.81Å; L178-N181 WeakPolarHBondContact O-CB 3.44Å; L178-N181 PolarHBondContact O-N 2.7Å; L178-N181 VanDerWaalsContact O-N 3.15Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.2Å; N181-C184 WeakPolarHBondContact O-CB 3.24Å; N181-C184 PolarHBondContact O-N 3.05Å; N181-V185 WeakPolarHBondContact O-CG2 3.5Å; N181-V185 PolarHBondContact O-N 2.72Å; N181-R243 PolarHBondContact OD1-NE 3.11Å; N181-R243 PolarHBondContact OD1-NH2 3.19Å; N181-T247 HydrophobicContact CB-CG2 4.4Å
182F92.4Very high92.5Very high139 Ų13953 Ų5361%0.6126%0.263SS*.Hα-helixtrans-64.2-45.9175.6-78.4-68.3000112.3L178 L179 T180 C184 V185 A186L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 PolarHBondContact O-N 3.36Å; L179-F182 PolarHBondContact O-N 3.46Å; T180-F182 PolarHBondContact O-N 3.46Å; F182-C184 VanDerWaalsContact C-N 3.29Å; F182-C184 PolarHBondContact O-N 3.17Å; F182-V185 PolarHBondContact O-N 2.67Å; F182-A186 PolarHBondContact O-N 3.12Å
183I95.2Very high92.9Very high66 Ų6648.6 Ų48.634%0.33825%0.252SS..Hα-helixtrans-59.1-44.7176-67.2168.5000110.3I145 L179 T180 V185 A186 I187I145-I183 HydrophobicContact CD1-CG2 3.79Å; I145-I183 HydrophobicContact CG1-CG2 4.37Å; L179-I183 HydrophobicContact CD1-CD1 4.11Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.93Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.48Å; T180-I183 PolarHBondContact O-N 3.45Å; I183-V185 PolarHBondContact O-N 3.46Å; I183-A186 WeakPolarHBondContact O-CB 3.12Å; I183-A186 PolarHBondContact O-N 3.22Å; I183-I187 HydrophobicContact CG2-CD1 3.95Å; I183-I187 HydrophobicContact CG2-CG1 4.44Å; I183-I187 WeakPolarHBondContact O-CG1 3.37Å; I183-I187 PolarHBondContact O-N 3.14Å
184C95.3Very high93.2Very high3 Ų351.4 Ų51.42%0.0227%0.266CS..Hα-helixtrans-60.3-44.3178.1-80.10000113.2Y99 M146 T180 N181 F182 A186 I187 F188Y99-C184 HydrophobicContact CE1-CB 3.67Å; Y99-C184 WeakPolarHBondContact CE1-O 3.26Å; Y99-C184 HydrophobicContact CE2-CB 3.83Å; Y99-C184 WeakPolarHBondContact CE2-SG 3.2Å; Y99-C184 VanDerWaalsContact CZ-SG 3.53Å; Y99-C184 VanDerWaalsContact OH-CB 3.28Å; Y99-C184 WeakPolarHBondContact OH-CB 3.49Å; M146-C184 WeakPolarHBondContact CE-SG 3.37Å; T180-C184 WeakPolarHBondContact O-CB 3.02Å; T180-C184 PolarHBondContact O-N 3.01Å; T180-C184 PolarHBondContact O-SG 3.42Å; N181-C184 WeakPolarHBondContact O-CB 3.24Å; N181-C184 PolarHBondContact O-N 3.05Å; F182-C184 VanDerWaalsContact C-N 3.29Å; F182-C184 PolarHBondContact O-N 3.17Å; C184-A186 VanDerWaalsContact C-N 3.34Å; C184-I187 PolarHBondContact O-N 3.29Å; C184-F188 PolarHBondContact O-N 2.95Å
185V95.1Very high93.5Very high20 Ų2047.7 Ų47.712%0.12125%0.253CS..Hα-helixtrans-63.6-41.7173.4169.80000110.7N181 F182 I183 I187 F188 L189 I244N181-V185 WeakPolarHBondContact O-CG2 3.5Å; N181-V185 PolarHBondContact O-N 2.72Å; F182-V185 PolarHBondContact O-N 2.67Å; I183-V185 PolarHBondContact O-N 3.46Å; V185-I187 PolarHBondContact O-N 2.92Å; V185-F188 PolarHBondContact O-N 3.42Å; V185-L189 HydrophobicContact CG1-CD1 4.04Å; V185-L189 HydrophobicContact CG1-CG 4.35Å; V185-L189 WeakPolarHBondContact O-CG 3.32Å; V185-L189 PolarHBondContact O-N 3.34Å; V185-I244 HydrophobicContact CG1-CD1 4.12Å; V185-I244 HydrophobicContact CG2-CG1 4.11Å
186A96.1Very high93.7Very high45 Ų4549 Ų4937%0.37226%0.259SS..Hα-helixtrans-61.3-4517600000111.7F182 I183 C184 F188 L189 N190F182-A186 PolarHBondContact O-N 3.12Å; I183-A186 WeakPolarHBondContact O-CB 3.12Å; I183-A186 PolarHBondContact O-N 3.22Å; C184-A186 VanDerWaalsContact C-N 3.34Å; A186-F188 PolarHBondContact O-N 3.18Å; A186-L189 PolarHBondContact O-N 3.44Å; A186-N190 PolarHBondContact O-N 3.36Å; A186-N190 PolarHBondContact O-ND2 3.21Å
187I96.7Very high93.8Very high19 Ų1950.2 Ų50.210%0.09727%0.27CS..Hα-helixtrans-55.2-52.5173.5-71.4169.7000109.7Y99 I103 M141 I145 I183 C184 V185 L189 N190 F191Y99-I187 HydrophobicContact CD1-CG2 4.13Å; I103-I187 HydrophobicContact CD1-CG2 4.11Å; I103-I187 HydrophobicContact CG1-CG2 4.19Å; M141-I187 HydrophobicContact SD-CD1 4.25Å; I145-I187 HydrophobicContact CD1-CD1 3.79Å; I183-I187 HydrophobicContact CG2-CD1 3.95Å; I183-I187 HydrophobicContact CG2-CG1 4.44Å; I183-I187 WeakPolarHBondContact O-CG1 3.37Å; I183-I187 PolarHBondContact O-N 3.14Å; C184-I187 PolarHBondContact O-N 3.29Å; V185-I187 PolarHBondContact O-N 2.92Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 2.93Å; I187-N190 PolarHBondContact O-N 3.09Å; I187-F191 HydrophobicContact CG2-CD2 3.72Å; I187-F191 HydrophobicContact CG2-CE2 3.96Å; I187-F191 VanDerWaalsContact O-CD2 3.26Å; I187-F191 WeakPolarHBondContact O-CD2 3.41Å; I187-F191 PolarHBondContact O-N 3.23Å
188F97.1Very high93.8Very high16 Ų1649.2 Ų49.27%0.0727%0.266CS..Hα-helixtrans-56.2-45.7178.6165.1-98.2000112.7I102 C184 V185 A186 S192 Y232 F236 V237 H240I102-F188 HydrophobicContact CD1-CD2 4.12Å; C184-F188 PolarHBondContact O-N 2.95Å; V185-F188 PolarHBondContact O-N 3.42Å; A186-F188 PolarHBondContact O-N 3.18Å; F188-S192 VanDerWaalsContact CE2-OG 3.32Å; F188-S192 WeakPolarHBondContact CE2-OG 3.34Å; F188-S192 WeakPolarHBondContact CZ-OG 3.28Å; F188-S192 WeakPolarHBondContact O-CB 3.26Å; F188-S192 PolarHBondContact O-N 3.38Å; F188-S192 PolarHBondContact O-OG 2.87Å; F188-Y232 VanDerWaalsContact CD2-OH 3.22Å; F188-Y232 WeakPolarHBondContact CD2-OH 3.35Å; F188-Y232 AromaticContact CE2-CE1 3.97Å; F188-Y232 HydrophobicContact CE2-CE1 3.97Å; F188-Y232 AromaticContact CE2-CZ 3.89Å; F188-Y232 WeakPolarHBondContact CE2-OH 3.14Å; F188-F236 HydrophobicContact CE2-CB 4.2Å; F188-V237 HydrophobicContact CE2-CG2 4.17Å; F188-V237 HydrophobicContact CZ-CB 4.31Å; F188-V237 HydrophobicContact CZ-CG2 3.89Å; F188-H240 VanDerWaalsContact CB-CD2 3.47Å; F188-H240 WeakPolarHBondContact CB-CD2 3.15Å; F188-H240 HydrophobicContact CD1-CB 3.63Å; F188-H240 AromaticContact CD1-CD2 3.79Å; F188-H240 AromaticContact CD1-CG 3.57Å; F188-H240 HydrophobicContact CD2-CB 4.35Å; F188-H240 AromaticContact CD2-CE1 3.66Å; F188-H240 AromaticContact CD2-CG 3.67Å; F188-H240 AromaticContact CD2-ND1 3.41Å; F188-H240 WeakPolarHBondContact CD2-ND1 3.31Å; F188-H240 HydrophobicContact CE1-CB 3.57Å; F188-H240 AromaticContact CE1-CG 3.92Å; F188-H240 HydrophobicContact CE2-CB 4.29Å; F188-H240 AromaticContact CE2-CG 4Å; F188-H240 AromaticContact CE2-ND1 3.7Å; F188-H240 HydrophobicContact CG-CB 4.03Å; F188-H240 AromaticContact CG-CD2 3.47Å; F188-H240 VanDerWaalsContact CG-CD2 3.47Å; F188-H240 WeakPolarHBondContact CG-CD2 3.19Å; F188-H240 AromaticContact CG-CE1 3.87Å; F188-H240 AromaticContact CG-CG 3.43Å; F188-H240 VanDerWaalsContact CG-CG 3.43Å; F188-H240 AromaticContact CG-ND1 3.67Å; F188-H240 AromaticContact CG-NE2 3.79Å; F188-H240 HydrophobicContact CZ-CB 3.91Å
189L96.7Very high93.7Very high101 Ų10148 Ų4853%0.52926%0.26SS..Hα-helixtrans-63.9-43.2179.4-69.9173.8000112V185 A186 I187 S192 A193V185-L189 HydrophobicContact CG1-CD1 4.04Å; V185-L189 HydrophobicContact CG1-CG 4.35Å; V185-L189 WeakPolarHBondContact O-CG 3.32Å; V185-L189 PolarHBondContact O-N 3.34Å; A186-L189 PolarHBondContact O-N 3.44Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 2.93Å; L189-S192 PolarHBondContact O-N 3Å; L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.11Å
190N96.5Very high93.5Very high106 Ų10646.8 Ų46.857%0.56726%0.258SS*.Hα-helixtrans-61.9-49.5178.2-80.7-81.2000111.6A186 I187 A193 I194A186-N190 PolarHBondContact O-N 3.36Å; A186-N190 PolarHBondContact O-ND2 3.21Å; I187-N190 PolarHBondContact O-N 3.09Å; N190-A193 PolarHBondContact O-N 3.18Å; N190-I194 WeakPolarHBondContact O-CG1 3.33Å; N190-I194 PolarHBondContact O-N 2.98Å; N190-I194 VanDerWaalsContact O-N 3.11Å
191F96.2Very high93.3Very high29 Ų2949.9 Ų49.913%0.12727%0.274CS..Hα-helixtrans-72.4-30.9-179.9-74.6-75.3000112.7I102 I103 A106 F107 I187 I194 I195I102-F191 HydrophobicContact CG2-CB 3.82Å; I102-F191 HydrophobicContact CG2-CG 4.41Å; I103-F191 HydrophobicContact CB-CE1 4.34Å; I103-F191 HydrophobicContact CB-CE2 4.41Å; I103-F191 HydrophobicContact CB-CZ 4.22Å; I103-F191 HydrophobicContact CD1-CE2 4.08Å; I103-F191 HydrophobicContact CD1-CZ 4.43Å; I103-F191 HydrophobicContact CG1-CD2 3.75Å; I103-F191 HydrophobicContact CG1-CE1 4.3Å; I103-F191 HydrophobicContact CG1-CE2 3.52Å; I103-F191 HydrophobicContact CG1-CG 4.28Å; I103-F191 HydrophobicContact CG1-CZ 3.79Å; I103-F191 HydrophobicContact CG2-CE1 3.82Å; I103-F191 HydrophobicContact CG2-CE2 4.34Å; I103-F191 HydrophobicContact CG2-CZ 3.7Å; A106-F191 HydrophobicContact CB-CB 4.03Å; A106-F191 HydrophobicContact CB-CD1 3.48Å; A106-F191 VanDerWaalsContact CB-CD1 3.48Å; A106-F191 HydrophobicContact CB-CE1 4.4Å; A106-F191 HydrophobicContact CB-CG 4.18Å; F107-F191 AromaticContact CE1-CE1 3.97Å; F107-F191 HydrophobicContact CE1-CE1 3.97Å; F107-F191 HydrophobicContact CZ-CE1 4.4Å; I187-F191 HydrophobicContact CG2-CD2 3.72Å; I187-F191 HydrophobicContact CG2-CE2 3.96Å; I187-F191 VanDerWaalsContact O-CD2 3.26Å; I187-F191 WeakPolarHBondContact O-CD2 3.41Å; I187-F191 PolarHBondContact O-N 3.23Å; F191-I194 HydrophobicContact CD1-CD1 3.94Å; F191-I194 HydrophobicContact CE1-CD1 4.23Å; F191-I194 PolarHBondContact O-N 3.48Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 3.22Å
192S95.1Very high92.8Very high25 Ų2549.5 Ų49.518%0.17527%0.272CS..Hα-helixtrans-62.4-42.2170.1-59.70000111.7F188 L189 I194 I195 L196 Y232F188-S192 VanDerWaalsContact CE2-OG 3.32Å; F188-S192 WeakPolarHBondContact CE2-OG 3.34Å; F188-S192 WeakPolarHBondContact CZ-OG 3.28Å; F188-S192 WeakPolarHBondContact O-CB 3.26Å; F188-S192 PolarHBondContact O-N 3.38Å; F188-S192 PolarHBondContact O-OG 2.87Å; L189-S192 PolarHBondContact O-N 3Å; S192-I194 VanDerWaalsContact C-N 3.35Å; S192-I195 PolarHBondContact O-N 2.78Å; S192-L196 WeakPolarHBondContact O-CB 3.32Å; S192-L196 PolarHBondContact O-N 3.35Å; S192-Y232 PolarHBondContact OG-OH 3.36Å
193A95.1Very high92.4Very high45 Ų4546.1 Ų46.137%0.37226%0.26SS..Hα-helixtrans-62.8-42176.100000111.5L189 N190 L196 I197L189-A193 WeakPolarHBondContact O-CB 3.33Å; L189-A193 PolarHBondContact O-N 3.11Å; N190-A193 PolarHBondContact O-N 3.18Å; A193-L196 PolarHBondContact O-N 3.19Å; A193-I197 WeakPolarHBondContact O-CB 3.47Å; A193-I197 VanDerWaalsContact O-CG1 3.24Å; A193-I197 WeakPolarHBondContact O-CG1 3.5Å; A193-I197 PolarHBondContact O-N 3.07Å
194I93.1Very high92Very high58 Ų5851.6 Ų51.630%0.29728%0.276SS..Hα-helixtrans-58.9-48.2174.3-69.5170.6000111.1A106 I110 N190 F191 S192 L196 I197 S198A106-I194 HydrophobicContact CB-CG2 4.47Å; I110-I194 HydrophobicContact CD1-CG2 3.34Å; I110-I194 HydrophobicContact CG1-CG2 3.48Å; I110-I194 VanDerWaalsContact CG1-CG2 3.48Å; N190-I194 WeakPolarHBondContact O-CG1 3.33Å; N190-I194 PolarHBondContact O-N 2.98Å; N190-I194 VanDerWaalsContact O-N 3.11Å; F191-I194 HydrophobicContact CD1-CD1 3.94Å; F191-I194 HydrophobicContact CE1-CD1 4.23Å; F191-I194 PolarHBondContact O-N 3.48Å; S192-I194 VanDerWaalsContact C-N 3.35Å; I194-L196 PolarHBondContact O-N 2.99Å; I194-I197 PolarHBondContact O-N 3.26Å; I194-S198 WeakPolarHBondContact O-CB 3.28Å; I194-S198 PolarHBondContact O-N 3.21Å; I194-S198 PolarHBondContact O-OG 2.98Å
195I92.1Very high91.3Very high5 Ų552.4 Ų52.43%0.02628%0.279CS..Hα-helixtrans-60.1-47.4177.6-69.8170.8000109.8A106 F191 S192 I197 S198 N199 T229 Y232A106-I195 HydrophobicContact CB-CD1 4.04Å; A106-I195 HydrophobicContact CB-CG1 3.86Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 3.22Å; S192-I195 PolarHBondContact O-N 2.78Å; I195-I197 PolarHBondContact O-N 3.01Å; I195-S198 WeakPolarHBondContact CA-OG 3.49Å; I195-S198 PolarHBondContact O-N 3.41Å; I195-S198 PolarHBondContact O-OG 3.27Å; I195-N199 WeakPolarHBondContact CG2-ND2 3.38Å; I195-N199 PolarHBondContact O-N 3.36Å; I195-N199 PolarHBondContact O-ND2 3.22Å; I195-T229 HydrophobicContact CG2-CG2 4.02Å; I195-Y232 HydrophobicContact CD1-CD1 4.06Å; I195-Y232 HydrophobicContact CD1-CD2 3.49Å; I195-Y232 VanDerWaalsContact CD1-CD2 3.49Å; I195-Y232 HydrophobicContact CD1-CE1 4.11Å; I195-Y232 HydrophobicContact CD1-CE2 3.53Å; I195-Y232 HydrophobicContact CD1-CG 3.77Å
196L92.1Very high90.7Very high114 Ų11453 Ų5360%0.59728%0.282SS*.Hα-helixtrans-59.6-46.8179.1-176.364.4000112.1S192 A193 I194 S198 N199 C200S192-L196 WeakPolarHBondContact O-CB 3.32Å; S192-L196 PolarHBondContact O-N 3.35Å; A193-L196 PolarHBondContact O-N 3.19Å; I194-L196 PolarHBondContact O-N 2.99Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 3.21Å; L196-N199 PolarHBondContact O-N 2.93Å; L196-C200 PolarHBondContact O-N 3.33Å; L196-C200 PolarHBondContact O-SG 3.33Å
197I91Very high90Very high103 Ų10359.5 Ų59.553%0.52830%0.298SS..Hα-helixtrans-59.9-45.6176.8-68.3164.4000110.2A193 I194 I195 N199 C200 L201A193-I197 WeakPolarHBondContact O-CB 3.47Å; A193-I197 VanDerWaalsContact O-CG1 3.24Å; A193-I197 WeakPolarHBondContact O-CG1 3.5Å; A193-I197 PolarHBondContact O-N 3.07Å; I194-I197 PolarHBondContact O-N 3.26Å; I195-I197 PolarHBondContact O-N 3.01Å; I197-N199 VanDerWaalsContact C-N 3.34Å; I197-N199 PolarHBondContact O-N 3.37Å; I197-C200 PolarHBondContact O-N 3.37Å; I197-L201 HydrophobicContact CG2-CD1 4.01Å; I197-L201 HydrophobicContact CG2-CG 4.31Å; I197-L201 VanDerWaalsContact O-CG 3.32Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 3.15Å
198S88.4Confident89.3Confident5 Ų567.8 Ų67.84%0.03533%0.328CS..Hα-helixtrans-60.9-41.6178.970.10000112.4S109 I194 I195 L196 L201 V202S109-S198 PolarHBondContact OG-OG 3.47Å; I194-S198 WeakPolarHBondContact O-CB 3.28Å; I194-S198 PolarHBondContact O-N 3.21Å; I194-S198 PolarHBondContact O-OG 2.98Å; I195-S198 WeakPolarHBondContact CA-OG 3.49Å; I195-S198 PolarHBondContact O-N 3.41Å; I195-S198 PolarHBondContact O-OG 3.27Å; L196-S198 VanDerWaalsContact C-N 3.33Å; L196-S198 PolarHBondContact O-N 3.21Å; S198-L201 PolarHBondContact O-N 3.42Å; S198-V202 WeakPolarHBondContact O-CG2 3.46Å; S198-V202 PolarHBondContact O-N 3.09Å; S198-V202 VanDerWaalsContact O-N 3.09Å
199N87.6Confident88.4Confident11 Ų1168.4 Ų68.46%0.05933%0.332CS..Hα-helixtrans-61.8-48.7173.8-80.1-81.1000111.6I195 L196 I197 L201 V202 I203 I225 T229I195-N199 WeakPolarHBondContact CG2-ND2 3.38Å; I195-N199 PolarHBondContact O-N 3.36Å; I195-N199 PolarHBondContact O-ND2 3.22Å; L196-N199 PolarHBondContact O-N 2.93Å; I197-N199 VanDerWaalsContact C-N 3.34Å; I197-N199 PolarHBondContact O-N 3.37Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 2.91Å; N199-V202 PolarHBondContact O-N 3.16Å; N199-I203 WeakPolarHBondContact O-CB 3.47Å; N199-I203 VanDerWaalsContact O-CG1 3.27Å; N199-I203 WeakPolarHBondContact O-CG1 3.44Å; N199-I203 PolarHBondContact O-N 3.1Å; N199-I225 WeakPolarHBondContact OD1-CG2 3.22Å; N199-T229 PolarHBondContact ND2-OG1 2.89Å; N199-T229 PolarHBondContact OD1-OG1 3.3Å
200C88.3Confident87.3Confident59 Ų5970 Ų7040%0.39934%0.335SS..Hα-helixtrans-57.8-42.8178.5-72.90000112.1L196 I197 R204L196-C200 PolarHBondContact O-N 3.33Å; L196-C200 PolarHBondContact O-SG 3.33Å; I197-C200 PolarHBondContact O-N 3.37Å; C200-R204 VanDerWaalsContact O-CG 3.29Å; C200-R204 WeakPolarHBondContact O-CG 3.49Å; C200-R204 PolarHBondContact O-N 2.97Å
201L86.6Confident86.4Confident70 Ų7072.7 Ų72.737%0.36635%0.349SS..Hα-helixtrans-64.5-42.6178-70176.5000112.2I197 S198 N199 R204 Q205I197-L201 HydrophobicContact CG2-CD1 4.01Å; I197-L201 HydrophobicContact CG2-CG 4.31Å; I197-L201 VanDerWaalsContact O-CG 3.32Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 3.15Å; S198-L201 PolarHBondContact O-N 3.42Å; N199-L201 VanDerWaalsContact C-N 3.31Å; N199-L201 PolarHBondContact O-N 2.91Å; L201-R204 PolarHBondContact O-N 3.38Å; L201-Q205 WeakPolarHBondContact O-CG 3.32Å; L201-Q205 PolarHBondContact O-N 2.89Å
202V82.2Confident85.6Confident0 Ų075 Ų750%036%0.362CS..Hα-helixtrans-69.7-41.1-178.81760000111.1C113 L116 S198 N199 R204 Q205 L206 L222 I225C113-V202 HydrophobicContact CB-CG2 4.23Å; L116-V202 HydrophobicContact CD1-CB 4.42Å; L116-V202 HydrophobicContact CD1-CG1 3.75Å; L116-V202 HydrophobicContact CD1-CG2 4Å; S198-V202 WeakPolarHBondContact O-CG2 3.46Å; S198-V202 PolarHBondContact O-N 3.09Å; S198-V202 VanDerWaalsContact O-N 3.09Å; N199-V202 PolarHBondContact O-N 3.16Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.15Å; V202-Q205 PolarHBondContact O-N 2.75Å; V202-L206 PolarHBondContact O-N 3.11Å; V202-L222 HydrophobicContact CG1-CB 3.85Å; V202-L222 HydrophobicContact CG1-CD1 3.75Å; V202-L222 HydrophobicContact CG1-CG 4.41Å; V202-I225 HydrophobicContact CB-CD1 4.28Å; V202-I225 HydrophobicContact CG1-CD1 4.28Å; V202-I225 HydrophobicContact CG2-CD1 3.35Å
203I84.6Confident84.6Confident69 Ų6982.5 Ų82.535%0.35440%0.395SS..Hα-helixtrans-59.2-47.2174-69.1168.1000110N199 Q205 L206 Y207 L222N199-I203 WeakPolarHBondContact O-CB 3.47Å; N199-I203 VanDerWaalsContact O-CG1 3.27Å; N199-I203 WeakPolarHBondContact O-CG1 3.44Å; N199-I203 PolarHBondContact O-N 3.1Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.2Å; I203-L206 WeakPolarHBondContact O-CB 3.38Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-Y207 HydrophobicContact CG2-CD2 3.86Å; I203-Y207 HydrophobicContact CG2-CE2 3.62Å; I203-Y207 VanDerWaalsContact O-CD2 3.22Å; I203-Y207 WeakPolarHBondContact O-CD2 3.46Å; I203-Y207 PolarHBondContact O-N 2.96Å; I203-Y207 VanDerWaalsContact O-N 3.12Å; I203-L222 HydrophobicContact CG1-CD1 4.1Å
204R86.1Confident83.6Confident181 Ų18183.5 Ų83.568%0.68339%0.394SS*.Hα-helixtrans-58.1-41.4175.4-75175.8-179.5-178.31.1112.3C200 L201 V202 Y207 R208C200-R204 VanDerWaalsContact O-CG 3.29Å; C200-R204 WeakPolarHBondContact O-CG 3.49Å; C200-R204 PolarHBondContact O-N 2.97Å; L201-R204 PolarHBondContact O-N 3.38Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.15Å; R204-Y207 PolarHBondContact O-N 3.35Å; R204-R208 PolarHBondContact O-N 3.42Å; R204-R208 VanDerWaalsContact O-N 3.11Å
205Q80.3Confident82.9Confident19 Ų1984.5 Ų84.59%0.08940%0.395CS..Hα-helixtrans-68-35.6177.2-74.9179.3-10.200113.3L201 V202 I203 R208 N209 V218L201-Q205 WeakPolarHBondContact O-CG 3.32Å; L201-Q205 PolarHBondContact O-N 2.89Å; V202-Q205 PolarHBondContact O-N 2.75Å; I203-Q205 VanDerWaalsContact C-N 3.3Å; I203-Q205 PolarHBondContact O-N 3.2Å; Q205-R208 PolarHBondContact O-N 3.06Å; Q205-N209 WeakPolarHBondContact O-CB 3.08Å; Q205-N209 PolarHBondContact O-N 3.22Å; Q205-N209 PolarHBondContact O-ND2 3.33Å; Q205-V218 HydrophobicContact CB-CG1 4.46Å
206L82Confident82.4Confident33 Ų3388.1 Ų88.117%0.17342%0.418CS..Hα-helixtrans-61.3-46.5174.9-174.776000110.8V202 I203 R208 N209 K210 Y215 V218 K219 L222V202-L206 PolarHBondContact O-N 3.11Å; I203-L206 WeakPolarHBondContact O-CB 3.38Å; I203-L206 PolarHBondContact O-N 3.31Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.45Å; L206-N209 PolarHBondContact O-N 3.45Å; L206-K210 PolarHBondContact O-N 2.84Å; L206-Y215 HydrophobicContact CD1-CD2 4.27Å; L206-Y215 HydrophobicContact CD1-CE2 3.79Å; L206-Y215 HydrophobicContact CG-CE2 4.4Å; L206-V218 HydrophobicContact CB-CG1 4.13Å; L206-V218 HydrophobicContact CD1-CB 4.45Å; L206-V218 HydrophobicContact CD1-CG1 3.96Å; L206-K219 HydrophobicContact CD1-CB 4.43Å; L206-L222 HydrophobicContact CD1-CD2 4.29Å; L206-L222 HydrophobicContact CD2-CD2 3.38Å; L206-L222 HydrophobicContact CG-CD2 4.27Å
207Y82.1Confident81.6Confident181 Ų18187.6 Ų87.671%0.7142%0.416SS*.Hα-helixtrans-62.1-40.5176.9-80.2-70.6000112.1I203 R204I203-Y207 HydrophobicContact CG2-CD2 3.86Å; I203-Y207 HydrophobicContact CG2-CE2 3.62Å; I203-Y207 VanDerWaalsContact O-CD2 3.22Å; I203-Y207 WeakPolarHBondContact O-CD2 3.46Å; I203-Y207 PolarHBondContact O-N 2.96Å; I203-Y207 VanDerWaalsContact O-N 3.12Å; R204-Y207 PolarHBondContact O-N 3.35Å
208R82.7Confident81Confident194 Ų19483 Ų8373%0.73239%0.393SS*.Hα-helixtrans-71.8-31.3-178.8-168173.568.71762.9113.9R204 Q205 L206R204-R208 PolarHBondContact O-N 3.42Å; R204-R208 VanDerWaalsContact O-N 3.11Å; Q205-R208 PolarHBondContact O-N 3.06Å; L206-R208 VanDerWaalsContact C-N 3.33Å; L206-R208 PolarHBondContact O-N 3.45Å
209N77.6Confident80.8Confident28 Ų2887.8 Ų87.815%0.1541%0.413CS..THydrogen-bonded Turntrans-102.319-175.4-66.5-53.9000113.1Q205 L206 D211 N212 V218Q205-N209 WeakPolarHBondContact O-CB 3.08Å; Q205-N209 PolarHBondContact O-N 3.22Å; Q205-N209 PolarHBondContact O-ND2 3.33Å; L206-N209 PolarHBondContact O-N 3.45Å; N209-D211 PolarHBondContact O-N 3.08Å; N209-N212 HydrophobicContact CB-CB 4.26Å; N209-N212 PolarHBondContact O-N 3.11Å; N209-V218 HydrophobicContact CB-CG2 4.33Å
210K74.6Confident80.6Confident136 Ų13692.8 Ų92.859%0.59143%0.434SS*.THydrogen-bonded Turntrans-56-35.4-174.7-170.6178.2174.5-173.40113.2L206 Y215L206-K210 PolarHBondContact O-N 2.84Å; K210-Y215 HydrophobicContact CG-CE2 4.33Å
211D77.1Confident80.2Confident161 Ų16190.5 Ų90.586%0.86142%0.42SS*.THydrogen-bonded Turntrans-106.313.5-175.6-50.5-43.6000113N209N209-D211 PolarHBondContact O-N 3.08Å
212N78.4Confident80Confident77 Ų7788.2 Ų88.241%0.41241%0.407SS..SBendtrans-102.7149.5-177.1-167.5-13.7000110.9N209 N214 Y215N209-N212 HydrophobicContact CB-CB 4.26Å; N209-N212 PolarHBondContact O-N 3.11Å; N212-N214 PolarHBondContact O-N 3.33Å; N212-Y215 WeakPolarHBondContact O-CB 3.29Å; N212-Y215 PolarHBondContact O-N 2.83Å
213E75.3Confident80.2Confident183 Ų18392.2 Ų92.286%0.85543%0.428SS*.THydrogen-bonded Turntrans-56.5-23.4174.7-64.8-169.1161.500113.2Y215 P216E213-Y215 PolarHBondContact O-N 3.27Å; E213-P216 WeakPolarHBondContact O-CD 3.25Å
214N73.6Confident80.3Confident67 Ų6789.5 Ų89.536%0.35841%0.414SS..THydrogen-bonded Turntrans-73.7-7.7174.8-88-21.5000114.7N212 P216 N217 V218N212-N214 PolarHBondContact O-N 3.33Å; N214-P216 VanDerWaalsContact C-CD 3.43Å; N214-N217 PolarHBondContact O-N 3.18Å; N214-N217 VanDerWaalsContact O-N 3.07Å; N214-V218 WeakPolarHBondContact O-CG2 3.44Å; N214-V218 PolarHBondContact O-N 3.3Å; N214-V218 VanDerWaalsContact O-N 3.09Å
215Y77.8Confident80.4Confident79 Ų7980.9 Ų80.931%0.3138%0.382SS..Hα-helixtrans-50.3-44.1-178.6-177.4-102.4000114.6L206 K210 N212 E213 N217 V218 K219L206-Y215 HydrophobicContact CD1-CD2 4.27Å; L206-Y215 HydrophobicContact CD1-CE2 3.79Å; L206-Y215 HydrophobicContact CG-CE2 4.4Å; K210-Y215 HydrophobicContact CG-CE2 4.33Å; N212-Y215 WeakPolarHBondContact O-CB 3.29Å; N212-Y215 PolarHBondContact O-N 2.83Å; E213-Y215 PolarHBondContact O-N 3.27Å; Y215-N217 VanDerWaalsContact C-N 3.33Å; Y215-N217 PolarHBondContact O-N 3.38Å; Y215-V218 PolarHBondContact O-N 2.97Å; Y215-K219 HydrophobicContact CE1-CD 4.24Å; Y215-K219 WeakPolarHBondContact O-CB 3.44Å; Y215-K219 PolarHBondContact O-N 3.18Å
216P81.2Confident80.7Confident81 Ų8183.5 Ų83.553%0.52640%0.396SS..Hα-helixtrans-62.7-37.4178.4-21.534.6000113.2E213 N214 K220E213-P216 WeakPolarHBondContact O-CD 3.25Å; N214-P216 VanDerWaalsContact C-CD 3.43Å; P216-K220 WeakPolarHBondContact O-CB 2.94Å; P216-K220 PolarHBondContact O-N 3.02Å
217N76.4Confident81.1Confident102 Ų10284.4 Ų84.455%0.54540%0.401SS..Hα-helixtrans-69.3-42.8178-70.3-33.1000111.2N214 Y215 K220 A221N214-N217 PolarHBondContact O-N 3.18Å; N214-N217 VanDerWaalsContact O-N 3.07Å; Y215-N217 VanDerWaalsContact C-N 3.33Å; Y215-N217 PolarHBondContact O-N 3.38Å; N217-K220 PolarHBondContact O-N 2.94Å; N217-A221 PolarHBondContact O-N 2.9Å
218V79.1Confident81.4Confident6 Ų676 Ų764%0.03637%0.368CS..Hα-helixtrans-63.6-45.3175.1-175.10000110.9L116 Q205 L206 N209 N214 Y215 K220 A221 L222L116-V218 HydrophobicContact CD1-CG1 4.44Å; L116-V218 HydrophobicContact CD2-CB 4.42Å; L116-V218 HydrophobicContact CD2-CG2 4.21Å; Q205-V218 HydrophobicContact CB-CG1 4.46Å; L206-V218 HydrophobicContact CB-CG1 4.13Å; L206-V218 HydrophobicContact CD1-CB 4.45Å; L206-V218 HydrophobicContact CD1-CG1 3.96Å; N209-V218 HydrophobicContact CB-CG2 4.33Å; N214-V218 WeakPolarHBondContact O-CG2 3.44Å; N214-V218 PolarHBondContact O-N 3.3Å; N214-V218 VanDerWaalsContact O-N 3.09Å; Y215-V218 PolarHBondContact O-N 2.97Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 3.43Å; V218-A221 PolarHBondContact O-N 3.46Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 PolarHBondContact O-N 3.01Å
219K82.6Confident81.8Confident106 Ų10667.5 Ų67.546%0.46134%0.338SS..Hα-helixtrans-58.9-44.4176.7-177.4177.3178.6178.70111.8L206 Y215 L222 I223L206-K219 HydrophobicContact CD1-CB 4.43Å; Y215-K219 HydrophobicContact CE1-CD 4.24Å; Y215-K219 WeakPolarHBondContact O-CB 3.44Å; Y215-K219 PolarHBondContact O-N 3.18Å; K219-L222 PolarHBondContact O-N 3.11Å; K219-I223 HydrophobicContact CG-CD1 4.25Å; K219-I223 WeakPolarHBondContact O-CG1 3.4Å; K219-I223 PolarHBondContact O-N 3.39Å
220K83.5Confident82.5Confident117 Ų11769.8 Ų69.851%0.50935%0.353SS..Hα-helixtrans-63.8-43.4178-175.6174.4-175.2168.80112.6P216 N217 V218 I223 N224P216-K220 WeakPolarHBondContact O-CB 2.94Å; P216-K220 PolarHBondContact O-N 3.02Å; N217-K220 PolarHBondContact O-N 2.94Å; V218-K220 VanDerWaalsContact C-N 3.34Å; V218-K220 PolarHBondContact O-N 3.43Å; K220-I223 PolarHBondContact O-N 3.34Å; K220-N224 VanDerWaalsContact O-CG 3.31Å; K220-N224 PolarHBondContact O-N 2.86Å; K220-N224 VanDerWaalsContact O-N 3.15Å
221A79.6Confident83.4Confident11 Ų1163.9 Ų63.99%0.09133%0.331CS..Hα-helixtrans-67.4-37176.800000112.2L116 N217 V218 N224 I225L116-A221 HydrophobicContact CD1-CB 3.36Å; L116-A221 HydrophobicContact CD2-CB 3.56Å; L116-A221 HydrophobicContact CG-CB 3.61Å; N217-A221 PolarHBondContact O-N 2.9Å; V218-A221 PolarHBondContact O-N 3.46Å; A221-N224 WeakPolarHBondContact O-CB 3.38Å; A221-N224 PolarHBondContact O-N 3.02Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; A221-I225 PolarHBondContact O-N 2.89Å
222L84.4Confident84.2Confident21 Ų2156.4 Ų56.411%0.1129%0.29CS..Hα-helixtrans-59.7-48.6172.2176.168.5000111.7V202 I203 L206 V218 K219 N224 I225 L226V202-L222 HydrophobicContact CG1-CB 3.85Å; V202-L222 HydrophobicContact CG1-CD1 3.75Å; V202-L222 HydrophobicContact CG1-CG 4.41Å; I203-L222 HydrophobicContact CG1-CD1 4.1Å; L206-L222 HydrophobicContact CD1-CD2 4.29Å; L206-L222 HydrophobicContact CD2-CD2 3.38Å; L206-L222 HydrophobicContact CG-CD2 4.27Å; V218-L222 WeakPolarHBondContact O-CB 3.36Å; V218-L222 PolarHBondContact O-N 3.01Å; K219-L222 PolarHBondContact O-N 3.11Å; L222-N224 VanDerWaalsContact C-N 3.25Å; L222-N224 PolarHBondContact O-N 3.24Å; L222-I225 PolarHBondContact O-N 3.42Å; L222-L226 HydrophobicContact CD1-CD1 3.87Å; L222-L226 HydrophobicContact CD1-CD2 4.37Å; L222-L226 HydrophobicContact CD1-CG 3.84Å; L222-L226 HydrophobicContact CD2-CD1 4.34Å; L222-L226 HydrophobicContact CG-CD1 3.77Å; L222-L226 HydrophobicContact CG-CG 4.13Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.91Å
223I86.2Confident85Confident85 Ų8557 Ų5744%0.43629%0.293SS..Hα-helixtrans-56.1-44.7177.4-69.9165.5000110.5K219 K220 L226 L227K219-I223 HydrophobicContact CG-CD1 4.25Å; K219-I223 WeakPolarHBondContact O-CG1 3.4Å; K219-I223 PolarHBondContact O-N 3.39Å; K220-I223 PolarHBondContact O-N 3.34Å; I223-L226 PolarHBondContact O-N 3.07Å; I223-L227 VanDerWaalsContact O-CB 3.32Å; I223-L227 WeakPolarHBondContact O-CB 3.34Å; I223-L227 PolarHBondContact O-N 3.46Å
224N86.8Confident86Confident11 Ų1151.8 Ų51.86%0.05927%0.27CS..Hα-helixtrans-62.1-44.7178.2-72.9-8.9000112.6K220 A221 L222 L227 V228 L288K220-N224 VanDerWaalsContact O-CG 3.31Å; K220-N224 PolarHBondContact O-N 2.86Å; K220-N224 VanDerWaalsContact O-N 3.15Å; A221-N224 WeakPolarHBondContact O-CB 3.38Å; A221-N224 PolarHBondContact O-N 3.02Å; L222-N224 VanDerWaalsContact C-N 3.25Å; L222-N224 PolarHBondContact O-N 3.24Å; N224-L227 PolarHBondContact O-N 2.79Å; N224-V228 VanDerWaalsContact O-CG2 3.25Å; N224-V228 WeakPolarHBondContact O-CG2 3.38Å; N224-V228 PolarHBondContact O-N 3.24Å; N224-V228 VanDerWaalsContact O-N 3.08Å; N224-L288 HydrophobicContact CB-CD2 3.69Å
225I86.8Confident87.1Confident0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-70.2-39.5179.8-68.6172.1000111.1R112 N199 V202 A221 L222 L227 V228 T229R112-I225 HydrophobicContact CB-CD1 3.6Å; R112-I225 HydrophobicContact CB-CG1 3.57Å; R112-I225 HydrophobicContact CG-CG1 4.32Å; N199-I225 WeakPolarHBondContact OD1-CG2 3.22Å; V202-I225 HydrophobicContact CB-CD1 4.28Å; V202-I225 HydrophobicContact CG1-CD1 4.28Å; V202-I225 HydrophobicContact CG2-CD1 3.35Å; A221-I225 WeakPolarHBondContact O-CG1 3.49Å; A221-I225 PolarHBondContact O-N 2.89Å; L222-I225 PolarHBondContact O-N 3.42Å; I225-L227 VanDerWaalsContact C-N 3.33Å; I225-L227 PolarHBondContact O-N 2.64Å; I225-V228 WeakPolarHBondContact O-CB 3.22Å; I225-V228 PolarHBondContact O-N 3.33Å; I225-T229 VanDerWaalsContact O-CB 3.3Å; I225-T229 WeakPolarHBondContact O-CB 3.27Å; I225-T229 PolarHBondContact O-N 3.39Å; I225-T229 PolarHBondContact O-OG1 2.95Å
226L87.9Confident88Confident74 Ų7445 Ų4539%0.38724%0.239SC..Hα-helixtrans-64.6-38.5174.9-72.8177.8000111.6L222 I223 T229 T230L222-L226 HydrophobicContact CD1-CD1 3.87Å; L222-L226 HydrophobicContact CD1-CD2 4.37Å; L222-L226 HydrophobicContact CD1-CG 3.84Å; L222-L226 HydrophobicContact CD2-CD1 4.34Å; L222-L226 HydrophobicContact CG-CD1 3.77Å; L222-L226 HydrophobicContact CG-CG 4.13Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.91Å; I223-L226 PolarHBondContact O-N 3.07Å; L226-T229 PolarHBondContact O-N 3.16Å; L226-T230 VanDerWaalsContact O-CB 3.28Å; L226-T230 WeakPolarHBondContact O-CB 3.36Å; L226-T230 PolarHBondContact O-N 2.7Å; L226-T230 PolarHBondContact O-OG1 2.85Å
227L89.1Confident88.7Confident52 Ų5243 Ų4327%0.27223%0.225SC..Hα-helixtrans-61.2-50.4173.9-178.172.8000111.1I223 N224 I225 T229 T230 G231 I283 H287I223-L227 VanDerWaalsContact O-CB 3.32Å; I223-L227 WeakPolarHBondContact O-CB 3.34Å; I223-L227 PolarHBondContact O-N 3.46Å; N224-L227 PolarHBondContact O-N 2.79Å; I225-L227 VanDerWaalsContact C-N 3.33Å; I225-L227 PolarHBondContact O-N 2.64Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 3.31Å; L227-T230 PolarHBondContact O-N 2.98Å; L227-G231 PolarHBondContact O-N 2.9Å; L227-I283 HydrophobicContact CD1-CG2 4.11Å; L227-I283 HydrophobicContact CD2-CG2 4.21Å; L227-H287 HydrophobicContact CD2-CB 3.83Å; L227-H287 VanDerWaalsContact CD2-CD2 3.41Å; L227-H287 WeakPolarHBondContact CD2-CD2 3.33Å
228V89.1Confident89.7Confident5 Ų539.9 Ų39.93%0.0321%0.211CC..Hα-helixtrans-53.9-48.7174.4172.10000110.4L105 V108 N224 I225 Y232 L284 L288L105-V228 HydrophobicContact CB-CG1 4.1Å; L105-V228 HydrophobicContact CD2-CG1 4.16Å; V108-V228 HydrophobicContact CG1-CG2 3.94Å; N224-V228 VanDerWaalsContact O-CG2 3.25Å; N224-V228 WeakPolarHBondContact O-CG2 3.38Å; N224-V228 PolarHBondContact O-N 3.24Å; N224-V228 VanDerWaalsContact O-N 3.08Å; I225-V228 WeakPolarHBondContact O-CB 3.22Å; I225-V228 PolarHBondContact O-N 3.33Å; V228-Y232 VanDerWaalsContact O-CB 3.23Å; V228-Y232 WeakPolarHBondContact O-CB 3.18Å; V228-Y232 PolarHBondContact O-N 3.44Å; V228-L284 HydrophobicContact CB-CD1 4.43Å; V228-L284 HydrophobicContact CG2-CD1 3.32Å; V228-L288 HydrophobicContact CG2-CD1 4.49Å
229T91.8Very high90.6Very high16 Ų1639.6 Ų39.610%0.09821%0.209CC..Hα-helixtrans-67.6-39.1-175.6-56.50000111.8I195 N199 I225 L226 L227 Y232 I233I195-T229 HydrophobicContact CG2-CG2 4.02Å; N199-T229 PolarHBondContact ND2-OG1 2.89Å; N199-T229 PolarHBondContact OD1-OG1 3.3Å; I225-T229 VanDerWaalsContact O-CB 3.3Å; I225-T229 WeakPolarHBondContact O-CB 3.27Å; I225-T229 PolarHBondContact O-N 3.39Å; I225-T229 PolarHBondContact O-OG1 2.95Å; L226-T229 PolarHBondContact O-N 3.16Å; L227-T229 VanDerWaalsContact C-N 3.29Å; L227-T229 PolarHBondContact O-N 3.31Å; T229-Y232 PolarHBondContact O-N 3.48Å; T229-I233 HydrophobicContact CG2-CD1 3.8Å; T229-I233 HydrophobicContact CG2-CG1 4.36Å; T229-I233 WeakPolarHBondContact O-CB 3.45Å; T229-I233 VanDerWaalsContact O-CG1 3.25Å; T229-I233 WeakPolarHBondContact O-CG1 3.29Å; T229-I233 PolarHBondContact O-N 2.93Å
230T92.1Very high91.2Very high75 Ų7534.8 Ų34.846%0.4619%0.188SC..Hα-helixtrans-65.5-49.2178.2-58.10000110.5L226 L227 Y232 I233 I234L226-T230 VanDerWaalsContact O-CB 3.28Å; L226-T230 WeakPolarHBondContact O-CB 3.36Å; L226-T230 PolarHBondContact O-N 2.7Å; L226-T230 PolarHBondContact O-OG1 2.85Å; L227-T230 PolarHBondContact O-N 2.98Å; T230-Y232 VanDerWaalsContact C-N 3.31Å; T230-Y232 PolarHBondContact O-N 3.31Å; T230-I233 PolarHBondContact O-N 3.06Å; T230-I234 HydrophobicContact CG2-CD1 3.77Å; T230-I234 WeakPolarHBondContact O-CB 3.42Å; T230-I234 VanDerWaalsContact O-CG1 3.31Å; T230-I234 WeakPolarHBondContact O-CG1 3.35Å; T230-I234 PolarHBondContact O-N 3.05Å
231G92.8Very high91.8Very high12 Ų1234.6 Ų34.612%0.12419%0.191CC..Hα-helixtrans-58.9-43.7174.600000111.8L227 I234 C235L227-G231 PolarHBondContact O-N 2.9Å; G231-I234 PolarHBondContact O-N 3.48Å; G231-C235 VanDerWaalsContact O-CB 3.29Å; G231-C235 WeakPolarHBondContact O-CB 3.24Å; G231-C235 PolarHBondContact O-N 3.27Å; G231-C235 PolarHBondContact O-SG 3.46Å
232Y94Very high92.5Very high4 Ų435.2 Ų35.22%0.01619%0.194CC..Hα-helixtrans-59.7-47.9177.1-179-85.8000113I102 L105 F188 S192 I195 V228 T229 T230 F236 V237I102-Y232 HydrophobicContact CB-CE2 4.1Å; I102-Y232 HydrophobicContact CG1-CE2 3.85Å; I102-Y232 HydrophobicContact CG2-CE2 3.95Å; L105-Y232 HydrophobicContact CD1-CD2 4.31Å; F188-Y232 VanDerWaalsContact CD2-OH 3.22Å; F188-Y232 WeakPolarHBondContact CD2-OH 3.35Å; F188-Y232 AromaticContact CE2-CE1 3.97Å; F188-Y232 HydrophobicContact CE2-CE1 3.97Å; F188-Y232 AromaticContact CE2-CZ 3.89Å; F188-Y232 WeakPolarHBondContact CE2-OH 3.14Å; S192-Y232 PolarHBondContact OG-OH 3.36Å; I195-Y232 HydrophobicContact CD1-CD1 4.06Å; I195-Y232 HydrophobicContact CD1-CD2 3.49Å; I195-Y232 VanDerWaalsContact CD1-CD2 3.49Å; I195-Y232 HydrophobicContact CD1-CE1 4.11Å; I195-Y232 HydrophobicContact CD1-CE2 3.53Å; I195-Y232 HydrophobicContact CD1-CG 3.77Å; V228-Y232 VanDerWaalsContact O-CB 3.23Å; V228-Y232 WeakPolarHBondContact O-CB 3.18Å; V228-Y232 PolarHBondContact O-N 3.44Å; T229-Y232 PolarHBondContact O-N 3.48Å; T230-Y232 VanDerWaalsContact C-N 3.31Å; T230-Y232 PolarHBondContact O-N 3.31Å; Y232-F236 AromaticContact CD2-CD2 3.51Å; Y232-F236 HydrophobicContact CD2-CD2 3.51Å; Y232-F236 HydrophobicContact CD2-CE2 4.04Å; Y232-F236 AromaticContact CE2-CD2 3.9Å; Y232-F236 HydrophobicContact CE2-CD2 3.9Å; Y232-F236 AromaticContact CG-CD2 3.94Å; Y232-F236 HydrophobicContact CG-CD2 3.94Å; Y232-F236 WeakPolarHBondContact O-CD2 3.48Å; Y232-F236 PolarHBondContact O-N 2.76Å; Y232-V237 HydrophobicContact CD1-CG2 4.44Å; Y232-V237 HydrophobicContact CE1-CG2 4.27Å
233I95.2Very high92.9Very high90 Ų9034.5 Ų34.546%0.46219%0.19SC..Hα-helixtrans-63.5-49.1-179.6-71.6169.6000109.9T229 T230 C235 V237 P238T229-I233 HydrophobicContact CG2-CD1 3.8Å; T229-I233 HydrophobicContact CG2-CG1 4.36Å; T229-I233 WeakPolarHBondContact O-CB 3.45Å; T229-I233 VanDerWaalsContact O-CG1 3.25Å; T229-I233 WeakPolarHBondContact O-CG1 3.29Å; T229-I233 PolarHBondContact O-N 2.93Å; T230-I233 PolarHBondContact O-N 3.06Å; I233-C235 VanDerWaalsContact C-N 3.34Å; I233-C235 PolarHBondContact O-N 2.9Å; I233-V237 HydrophobicContact CB-CG2 4.34Å; I233-V237 HydrophobicContact CG1-CG2 4.24Å; I233-V237 HydrophobicContact CG2-CG2 4.39Å; I233-V237 WeakPolarHBondContact O-CB 3.5Å; I233-V237 PolarHBondContact O-N 3.24Å; I233-P238 WeakPolarHBondContact O-CD 3.17Å
234I95.6Very high93Very high74 Ų7434.4 Ų34.438%0.37919%0.189SC..Hα-helixtrans-62-43.1-178.4-67.7170.6000110.9T230 G231 F280T230-I234 HydrophobicContact CG2-CD1 3.77Å; T230-I234 WeakPolarHBondContact O-CB 3.42Å; T230-I234 VanDerWaalsContact O-CG1 3.31Å; T230-I234 WeakPolarHBondContact O-CG1 3.35Å; T230-I234 PolarHBondContact O-N 3.05Å; G231-I234 PolarHBondContact O-N 3.48Å; I234-F280 HydrophobicContact CG2-CE2 4.31Å; I234-F280 HydrophobicContact CG2-CZ 4.12Å
235C96.7Very high93.2Very high1 Ų136.1 Ų36.11%0.00720%0.201CC..Hα-helixtrans-79.8-48.1-174.1-60.70000112.7G231 I233 L273 A274 N277 F280G231-C235 VanDerWaalsContact O-CB 3.29Å; G231-C235 WeakPolarHBondContact O-CB 3.24Å; G231-C235 PolarHBondContact O-N 3.27Å; G231-C235 PolarHBondContact O-SG 3.46Å; I233-C235 VanDerWaalsContact C-N 3.34Å; I233-C235 PolarHBondContact O-N 2.9Å; C235-L273 WeakPolarHBondContact CA-O 3.41Å; C235-L273 WeakPolarHBondContact CB-O 3.3Å; C235-L273 CarbonylContact O-C 3.35Å; C235-A274 WeakPolarHBondContact O-CA 3.31Å; C235-A274 WeakPolarHBondContact O-CB 3.01Å; C235-A274 PolarHBondContact O-N 3.46Å; C235-N277 HydrophobicContact CB-CB 4.39Å; C235-F280 WeakPolarHBondContact SG-CD2 3.21Å; C235-F280 VanDerWaalsContact SG-CE2 3.58Å
236F97.4Very high93.3Very high1 Ų136.8 Ų36.80%0.00420%0.204CC..Hα-helixtrans-105-32-162.9-53.2-61.9000114.6M98 I102 L105 F188 Y232 Y239 H240 N277M98-F236 HydrophobicContact CE-CD1 3.99Å; M98-F236 HydrophobicContact CG-CD1 4.11Å; M98-F236 HydrophobicContact CG-CE1 4.37Å; I102-F236 HydrophobicContact CD1-CB 4.2Å; I102-F236 HydrophobicContact CD1-CD1 4.13Å; I102-F236 HydrophobicContact CD1-CG 4.12Å; I102-F236 HydrophobicContact CG1-CB 4.14Å; I102-F236 HydrophobicContact CG1-CD1 3.96Å; I102-F236 HydrophobicContact CG1-CD2 3.92Å; I102-F236 HydrophobicContact CG1-CE1 4.38Å; I102-F236 HydrophobicContact CG1-CE2 4.37Å; I102-F236 HydrophobicContact CG1-CG 3.71Å; L105-F236 HydrophobicContact CD1-CE2 3.59Å; L105-F236 HydrophobicContact CD1-CZ 4.27Å; F188-F236 HydrophobicContact CE2-CB 4.2Å; Y232-F236 AromaticContact CD2-CD2 3.51Å; Y232-F236 HydrophobicContact CD2-CD2 3.51Å; Y232-F236 HydrophobicContact CD2-CE2 4.04Å; Y232-F236 AromaticContact CE2-CD2 3.9Å; Y232-F236 HydrophobicContact CE2-CD2 3.9Å; Y232-F236 AromaticContact CG-CD2 3.94Å; Y232-F236 HydrophobicContact CG-CD2 3.94Å; Y232-F236 WeakPolarHBondContact O-CD2 3.48Å; Y232-F236 PolarHBondContact O-N 2.76Å; F236-Y239 PolarHBondContact O-N 3.17Å; F236-H240 PolarHBondContact O-N 3.27Å; F236-H240 PolarHBondContact O-ND1 2.99Å; F236-N277 HydrophobicContact CE1-CB 4.32Å; F236-N277 HydrophobicContact CZ-CB 3.79Å
237V96.6Very high93.3Very high40 Ų4033.7 Ų33.724%0.24219%0.188CC..Hα-helixtrans-65.2-49.1-174.9176.50000112.1F188 Y232 I233 Y239 H240 I241F188-V237 HydrophobicContact CE2-CG2 4.17Å; F188-V237 HydrophobicContact CZ-CB 4.31Å; F188-V237 HydrophobicContact CZ-CG2 3.89Å; Y232-V237 HydrophobicContact CD1-CG2 4.44Å; Y232-V237 HydrophobicContact CE1-CG2 4.27Å; I233-V237 HydrophobicContact CB-CG2 4.34Å; I233-V237 HydrophobicContact CG1-CG2 4.24Å; I233-V237 HydrophobicContact CG2-CG2 4.39Å; I233-V237 WeakPolarHBondContact O-CB 3.5Å; I233-V237 PolarHBondContact O-N 3.24Å; V237-Y239 VanDerWaalsContact C-N 3.25Å; V237-Y239 PolarHBondContact O-N 2.85Å; V237-H240 PolarHBondContact O-N 3.35Å; V237-I241 HydrophobicContact CG1-CD1 3.77Å; V237-I241 HydrophobicContact CG1-CG1 4.35Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.5Å; V237-I241 VanDerWaalsContact O-N 3.11Å
238P97.1Very high93Very high37 Ų3734.9 Ų34.924%0.2419%0.194CC..Hα-helixtrans-56-41.8179.5-26.934.3000112.7I233 I241 V242 T270 L273I233-P238 WeakPolarHBondContact O-CD 3.17Å; P238-I241 PolarHBondContact O-N 3.24Å; P238-V242 WeakPolarHBondContact O-CG2 3.02Å; P238-V242 PolarHBondContact O-N 3.11Å; P238-V242 VanDerWaalsContact O-N 3.14Å; P238-T270 HydrophobicContact CB-CG2 3.68Å; P238-L273 HydrophobicContact CB-CD1 4.01Å; P238-L273 HydrophobicContact CG-CD1 4Å
239Y97.3Very high92.7Very high0 Ų034.8 Ų34.80%019%0.194CC..Hα-helixtrans-62.9-45.3-179.9172.3-91.4000112.2Y95 M98 F236 V237 I241 V242 R243 K267 L271Y95-Y239 HydrophobicContact CE1-CE2 4.4Å; Y95-Y239 AromaticContact CE1-CZ 3.83Å; Y95-Y239 WeakPolarHBondContact CE1-OH 3.47Å; M98-Y239 HydrophobicContact CE-CD1 3.14Å; M98-Y239 HydrophobicContact CE-CD2 4.22Å; M98-Y239 HydrophobicContact CE-CE1 3.61Å; M98-Y239 HydrophobicContact CE-CG 3.48Å; M98-Y239 VanDerWaalsContact CE-CG 3.48Å; M98-Y239 HydrophobicContact SD-CD1 3.58Å; M98-Y239 VanDerWaalsContact SD-CD1 3.58Å; M98-Y239 HydrophobicContact SD-CE1 3.4Å; M98-Y239 WeakPolarHBondContact SD-CE1 3.33Å; M98-Y239 HydrophobicContact SD-CG 4.4Å; F236-Y239 PolarHBondContact O-N 3.17Å; V237-Y239 VanDerWaalsContact C-N 3.25Å; V237-Y239 PolarHBondContact O-N 2.85Å; Y239-I241 VanDerWaalsContact C-N 3.33Å; Y239-I241 PolarHBondContact O-N 3.5Å; Y239-V242 PolarHBondContact O-N 3.3Å; Y239-R243 HydrophobicContact CE1-CB 4.16Å; Y239-R243 HydrophobicContact CE1-CG 4.21Å; Y239-R243 WeakPolarHBondContact O-CB 3.26Å; Y239-R243 PolarHBondContact O-N 3.42Å; Y239-R243 WeakPolarHBondContact OH-CD 3.32Å; Y239-R243 PolarHBondContact OH-NE 3.47Å; Y239-R243 PolarHBondContact OH-NH1 3.41Å; Y239-K267 HydrophobicContact CE2-CG 4.43Å; Y239-L271 HydrophobicContact CD2-CB 4.19Å; Y239-L271 HydrophobicContact CD2-CD1 4.38Å; Y239-L271 HydrophobicContact CE2-CB 4.33Å; Y239-L271 HydrophobicContact CE2-CD1 4.13Å
240H96.3Very high92Very high5 Ų535.3 Ų35.32%0.02320%0.195CC..Hα-helixtrans-69.5-32.1-179.1-72.184.3000112.5Y99 F188 F236 V237Y99-H240 AromaticContact CE1-NE2 3.55Å; Y99-H240 AromaticContact CZ-NE2 3.76Å; Y99-H240 PolarHBondContact OH-NE2 3.05Å; Y99-H240 VanDerWaalsContact OH-NE2 3.16Å; F188-H240 VanDerWaalsContact CB-CD2 3.47Å; F188-H240 WeakPolarHBondContact CB-CD2 3.15Å; F188-H240 HydrophobicContact CD1-CB 3.63Å; F188-H240 AromaticContact CD1-CD2 3.79Å; F188-H240 AromaticContact CD1-CG 3.57Å; F188-H240 HydrophobicContact CD2-CB 4.35Å; F188-H240 AromaticContact CD2-CE1 3.66Å; F188-H240 AromaticContact CD2-CG 3.67Å; F188-H240 AromaticContact CD2-ND1 3.41Å; F188-H240 WeakPolarHBondContact CD2-ND1 3.31Å; F188-H240 HydrophobicContact CE1-CB 3.57Å; F188-H240 AromaticContact CE1-CG 3.92Å; F188-H240 HydrophobicContact CE2-CB 4.29Å; F188-H240 AromaticContact CE2-CG 4Å; F188-H240 AromaticContact CE2-ND1 3.7Å; F188-H240 HydrophobicContact CG-CB 4.03Å; F188-H240 AromaticContact CG-CD2 3.47Å; F188-H240 VanDerWaalsContact CG-CD2 3.47Å; F188-H240 WeakPolarHBondContact CG-CD2 3.19Å; F188-H240 AromaticContact CG-CE1 3.87Å; F188-H240 AromaticContact CG-CG 3.43Å; F188-H240 VanDerWaalsContact CG-CG 3.43Å; F188-H240 AromaticContact CG-ND1 3.67Å; F188-H240 AromaticContact CG-NE2 3.79Å; F188-H240 HydrophobicContact CZ-CB 3.91Å; F236-H240 PolarHBondContact O-N 3.27Å; F236-H240 PolarHBondContact O-ND1 2.99Å; V237-H240 PolarHBondContact O-N 3.35Å
241I95.1Very high91.2Very high113 Ų11333.2 Ų33.258%0.57918%0.182SC*.Hα-helixtrans-60.8-45.5172.1-68.2169.9000110.6V237 P238 Y239 P245V237-I241 HydrophobicContact CG1-CD1 3.77Å; V237-I241 HydrophobicContact CG1-CG1 4.35Å; V237-I241 WeakPolarHBondContact O-CG1 3.44Å; V237-I241 PolarHBondContact O-N 3.5Å; V237-I241 VanDerWaalsContact O-N 3.11Å; P238-I241 PolarHBondContact O-N 3.24Å; Y239-I241 VanDerWaalsContact C-N 3.33Å; Y239-I241 PolarHBondContact O-N 3.5Å; I241-P245 WeakPolarHBondContact O-CD 3.14Å
242V95.3Very high90.1Very high24 Ų2440.8 Ų40.815%0.14521%0.214CC..Hα-helixtrans-79.9-28-178.1176.80000112.7P238 Y239 I244 P245 Y246 A266 K267 T270P238-V242 WeakPolarHBondContact O-CG2 3.02Å; P238-V242 PolarHBondContact O-N 3.11Å; P238-V242 VanDerWaalsContact O-N 3.14Å; Y239-V242 PolarHBondContact O-N 3.3Å; V242-I244 VanDerWaalsContact C-N 3.33Å; V242-I244 PolarHBondContact O-N 2.98Å; V242-P245 VanDerWaalsContact O-CD 3.23Å; V242-P245 WeakPolarHBondContact O-CD 3.47Å; V242-P245 VanDerWaalsContact O-CG 3.3Å; V242-P245 WeakPolarHBondContact O-CG 3.36Å; V242-Y246 VanDerWaalsContact O-CB 3.3Å; V242-Y246 WeakPolarHBondContact O-CB 3.31Å; V242-Y246 PolarHBondContact O-N 2.95Å; V242-A266 HydrophobicContact CG1-CB 3.74Å; V242-A266 HydrophobicContact CG2-CB 4.38Å; V242-K267 HydrophobicContact CG1-CB 4.15Å; V242-T270 HydrophobicContact CB-CG2 4.41Å; V242-T270 HydrophobicContact CG2-CG2 3.84Å
243R92.7Very high89.2Confident5 Ų545.9 Ų45.92%0.01925%0.246CC..Hα-helixtrans-61.2-39.1-174.6-178.657168.1-141-3.4112.9Y95 N181 Y239 T247Y95-R243 PolarHBondContact OH-NH1 3.35Å; N181-R243 PolarHBondContact OD1-NE 3.11Å; N181-R243 PolarHBondContact OD1-NH2 3.19Å; Y239-R243 HydrophobicContact CE1-CB 4.16Å; Y239-R243 HydrophobicContact CE1-CG 4.21Å; Y239-R243 WeakPolarHBondContact O-CB 3.26Å; Y239-R243 PolarHBondContact O-N 3.42Å; Y239-R243 WeakPolarHBondContact OH-CD 3.32Å; Y239-R243 PolarHBondContact OH-NE 3.47Å; Y239-R243 PolarHBondContact OH-NH1 3.41Å; R243-T247 WeakPolarHBondContact O-CB 3.1Å; R243-T247 PolarHBondContact O-N 3.4Å; R243-T247 PolarHBondContact O-OG1 3.34Å
244I87.8Confident88.2Confident83 Ų8343.6 Ų43.643%0.42623%0.234SC..Hα-helixtrans-62.8-59.5-179.2-63.3167.5000111.2V185 V242 Y246 T247 L248V185-I244 HydrophobicContact CG1-CD1 4.12Å; V185-I244 HydrophobicContact CG2-CG1 4.11Å; V242-I244 VanDerWaalsContact C-N 3.33Å; V242-I244 PolarHBondContact O-N 2.98Å; I244-Y246 VanDerWaalsContact C-N 3.29Å; I244-Y246 PolarHBondContact O-N 2.92Å; I244-T247 PolarHBondContact O-N 2.81Å; I244-T247 VanDerWaalsContact O-N 3.15Å; I244-L248 PolarHBondContact O-N 2.91Å; I244-L248 VanDerWaalsContact O-N 3.12Å
245P90.1Very high87.2Confident47 Ų4746 Ų4631%0.30525%0.252SS..Hα-helixtrans-63.3-34.817924.6-33.9000112.2I241 V242 T247 L248 S249 L263I241-P245 WeakPolarHBondContact O-CD 3.14Å; V242-P245 VanDerWaalsContact O-CD 3.23Å; V242-P245 WeakPolarHBondContact O-CD 3.47Å; V242-P245 VanDerWaalsContact O-CG 3.3Å; V242-P245 WeakPolarHBondContact O-CG 3.36Å; P245-T247 PolarHBondContact O-N 3.03Å; P245-L248 PolarHBondContact O-N 3.27Å; P245-S249 PolarHBondContact O-N 3.47Å; P245-L263 HydrophobicContact CB-CD1 4.5Å; P245-L263 HydrophobicContact CB-CD2 3.9Å; P245-L263 HydrophobicContact CG-CD2 4.09Å
246Y89.8Confident86.7Confident14 Ų1449.8 Ų49.86%0.05527%0.272CS..Hα-helixtrans-61.4-44.1173.7175.7-107.4000112.2V242 I244 L248 S249 Q250 L263 F264 K267V242-Y246 VanDerWaalsContact O-CB 3.3Å; V242-Y246 WeakPolarHBondContact O-CB 3.31Å; V242-Y246 PolarHBondContact O-N 2.95Å; I244-Y246 VanDerWaalsContact C-N 3.29Å; I244-Y246 PolarHBondContact O-N 2.92Å; Y246-L248 VanDerWaalsContact C-N 3.3Å; Y246-L248 PolarHBondContact O-N 3.08Å; Y246-S249 WeakPolarHBondContact O-CA 3.42Å; Y246-S249 WeakPolarHBondContact O-CB 3.46Å; Y246-S249 PolarHBondContact O-N 3.13Å; Y246-S249 PolarHBondContact O-OG 3.28Å; Y246-Q250 HydrophobicContact CE1-CG 4.32Å; Y246-Q250 HydrophobicContact CE2-CG 4.47Å; Y246-Q250 VanDerWaalsContact CZ-NE2 3.31Å; Y246-Q250 WeakPolarHBondContact O-CG 2.96Å; Y246-Q250 PolarHBondContact O-N 2.61Å; Y246-Q250 PolarHBondContact OH-NE2 3.49Å; Y246-L263 HydrophobicContact CD2-CB 4.11Å; Y246-F264 HydrophobicContact CE2-CB 3.93Å; Y246-F264 AromaticContact CE2-CD2 3.93Å; Y246-F264 HydrophobicContact CE2-CD2 3.93Å; Y246-F264 HydrophobicContact CE2-CG 4.44Å; Y246-K267 HydrophobicContact CD1-CB 4.13Å; Y246-K267 HydrophobicContact CD1-CD 4.28Å; Y246-K267 HydrophobicContact CD1-CG 3.76Å; Y246-K267 HydrophobicContact CD2-CB 4.11Å; Y246-K267 HydrophobicContact CE1-CD 3.96Å; Y246-K267 HydrophobicContact CE1-CG 3.97Å; Y246-K267 HydrophobicContact CG-CB 3.89Å; Y246-K267 HydrophobicContact CG-CG 4.06Å
247T86.8Confident86Confident10 Ų1051.9 Ų51.96%0.06129%0.287CS..Hα-helixtrans-62.4-39.4178.3-57.90000111.3L178 N181 R243 I244 P245 S249 Q250L178-T247 HydrophobicContact CD2-CG2 3.36Å; N181-T247 HydrophobicContact CB-CG2 4.4Å; R243-T247 WeakPolarHBondContact O-CB 3.1Å; R243-T247 PolarHBondContact O-N 3.4Å; R243-T247 PolarHBondContact O-OG1 3.34Å; I244-T247 PolarHBondContact O-N 2.81Å; I244-T247 VanDerWaalsContact O-N 3.15Å; P245-T247 PolarHBondContact O-N 3.03Å; T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 3.26Å; T247-Q250 WeakPolarHBondContact O-CB 3.02Å; T247-Q250 PolarHBondContact O-N 3.33Å
248L83.6Confident85.5Confident77 Ų7753.6 Ų53.640%0.40330%0.3SS..Hα-helixtrans-65.9-31.4172.9-65175.2000112.3I244 P245 Y246 Q250 T251 I254I244-L248 PolarHBondContact O-N 2.91Å; I244-L248 VanDerWaalsContact O-N 3.12Å; P245-L248 PolarHBondContact O-N 3.27Å; Y246-L248 VanDerWaalsContact C-N 3.3Å; Y246-L248 PolarHBondContact O-N 3.08Å; L248-Q250 PolarHBondContact O-N 2.04Å; L248-T251 PolarHBondContact O-N 3.24Å; L248-T251 VanDerWaalsContact O-N 3.07Å; L248-T251 PolarHBondContact O-OG1 3.36Å; L248-I254 HydrophobicContact CB-CD1 4.38Å
249S83.6Confident85.1Confident3 Ų354.6 Ų54.62%0.02131%0.306CS..Hα-helixtrans-70-13.5174.584.90000114.8P245 Y246 T247 R260P245-S249 PolarHBondContact O-N 3.47Å; Y246-S249 WeakPolarHBondContact O-CA 3.42Å; Y246-S249 WeakPolarHBondContact O-CB 3.46Å; Y246-S249 PolarHBondContact O-N 3.13Å; Y246-S249 PolarHBondContact O-OG 3.28Å; T247-S249 VanDerWaalsContact C-N 3.29Å; T247-S249 PolarHBondContact O-N 3.26Å; S249-R260 PolarHBondContact O-NE 3.47Å
250Q77.3Confident84.5Confident27 Ų2759 Ų5913%0.12632%0.322CS..THydrogen-bonded Turntrans-91.6-4.5173.6-61.4-176.9-44.900112.2R174 Y246 T247 L248R174-Q250 PolarHBondContact NH2-O 2.89Å; Y246-Q250 HydrophobicContact CE1-CG 4.32Å; Y246-Q250 HydrophobicContact CE2-CG 4.47Å; Y246-Q250 VanDerWaalsContact CZ-NE2 3.31Å; Y246-Q250 WeakPolarHBondContact O-CG 2.96Å; Y246-Q250 PolarHBondContact O-N 2.61Å; Y246-Q250 PolarHBondContact OH-NE2 3.49Å; T247-Q250 WeakPolarHBondContact O-CB 3.02Å; T247-Q250 PolarHBondContact O-N 3.33Å; L248-Q250 PolarHBondContact O-N 2.04Å
251T75.2Confident84.1Confident30 Ų3060.6 Ų60.618%0.18433%0.331CS..THydrogen-bonded Turntrans-96.2174.5167.771.20000110.4L178 L248 V253L178-T251 HydrophobicContact CD1-CG2 4.29Å; L178-T251 HydrophobicContact CD2-CG2 4.27Å; L248-T251 PolarHBondContact O-N 3.24Å; L248-T251 VanDerWaalsContact O-N 3.07Å; L248-T251 PolarHBondContact O-OG1 3.36Å; T251-V253 PolarHBondContact O-N 3.23Å; T251-V253 VanDerWaalsContact O-N 3.14Å; T251-V253 VanDerWaalsContact OG1-CG2 3.3Å; T251-V253 WeakPolarHBondContact OG1-CG2 3.39Å
252E69.4Low83.9Confident172 Ų17258.5 Ų58.580%0.80433%0.326SS*.THydrogen-bonded Turntrans-76.410.9178.1-60.6-169.1178.700113.1
253V73.9Confident83.7Confident111 Ų11158.7 Ų58.767%0.67333%0.326SS*.THydrogen-bonded Turntrans-79-36.1-178.5178.20000112T251T251-V253 PolarHBondContact O-N 3.23Å; T251-V253 VanDerWaalsContact O-N 3.14Å; T251-V253 VanDerWaalsContact OG1-CG2 3.3Å; T251-V253 WeakPolarHBondContact OG1-CG2 3.39Å
254I75.3Confident83.5Confident42 Ų4259 Ų5922%0.21533%0.327CS..  trans-111.1108.7177.5-52.7-179.8000108.9L248 T259 R260 L263L248-I254 HydrophobicContact CB-CD1 4.38Å; I254-T259 HydrophobicContact CG2-CG2 3.87Å; I254-R260 HydrophobicContact CG2-CG 4.39Å; I254-L263 HydrophobicContact CD1-CD1 4.1Å
255T73.9Confident83.7Confident124 Ų12458.4 Ų58.476%0.76132%0.322SS*.  trans-97.6-17.9-176.552.60000113.6C257T255-C257 PolarHBondContact O-N 2.85Å
256D85.4Confident83.9Confident81 Ų8157.9 Ų57.943%0.43332%0.322SS..  trans-69.3122.3-179.2176.656.9000112.6S258 T259 R260D256-S258 WeakPolarHBondContact OD2-CB 3.41Å; D256-S258 PolarHBondContact OD2-N 3.18Å; D256-T259 PolarHBondContact O-N 3.11Å; D256-T259 VanDerWaalsContact OD2-CB 3.24Å; D256-T259 WeakPolarHBondContact OD2-CB 3.21Å; D256-T259 PolarHBondContact OD2-N 2.74Å; D256-T259 PolarHBondContact OD2-OG1 3.24Å; D256-R260 WeakPolarHBondContact O-CG 3.41Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 VanDerWaalsContact O-N 3.12Å
257C84Confident84.1Confident45 Ų4558 Ų5830%0.30432%0.323SS..Hα-helixtrans-68-37.3-176.1176.70000112.5C8 T255 T259 R260 I261C8-C257 VanDerWaalsContact CA-SG 3.56Å; C8-C257 HydrophobicContact CB-CB 4.02Å; C8-C257 WeakPolarHBondContact CB-SG 3.41Å; C8-C257 VanDerWaalsContact SG-CA 3.56Å; C8-C257 WeakPolarHBondContact SG-CB 3.46Å; C8-C257 CovalentContact SG-SG 2.05Å; C8-C257 PolarHBondContact SG-SG 3.26Å; T255-C257 PolarHBondContact O-N 2.85Å; C257-T259 PolarHBondContact O-N 2.66Å; C257-R260 PolarHBondContact O-N 3.37Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 2.81Å
258S86.4Confident84.4Confident75 Ų7557.9 Ų57.952%0.52432%0.321SS..Hα-helixtrans-63-43.6179.1-176.40000111.6D256 I261 S262D256-S258 WeakPolarHBondContact OD2-CB 3.41Å; D256-S258 PolarHBondContact OD2-N 3.18Å; S258-I261 PolarHBondContact O-N 3.06Å; S258-S262 WeakPolarHBondContact O-CB 3.43Å; S258-S262 PolarHBondContact O-N 3.3Å; S258-S262 PolarHBondContact O-OG 3.28Å
259T87.1Confident85Confident58 Ų5855.8 Ų55.836%0.35632%0.315SS..Hα-helixtrans-63.2-43.3175.9-58.40000111.1I254 D256 C257 S262 L263I254-T259 HydrophobicContact CG2-CG2 3.87Å; D256-T259 PolarHBondContact O-N 3.11Å; D256-T259 VanDerWaalsContact OD2-CB 3.24Å; D256-T259 WeakPolarHBondContact OD2-CB 3.21Å; D256-T259 PolarHBondContact OD2-N 2.74Å; D256-T259 PolarHBondContact OD2-OG1 3.24Å; C257-T259 PolarHBondContact O-N 2.66Å; T259-S262 PolarHBondContact O-N 2.69Å; T259-L263 HydrophobicContact CG2-CD1 3.83Å; T259-L263 HydrophobicContact CG2-CG 4.32Å; T259-L263 WeakPolarHBondContact O-CB 3.28Å; T259-L263 WeakPolarHBondContact O-CG 3.04Å; T259-L263 PolarHBondContact O-N 2.97Å
260R86Confident85.6Confident92 Ų9256.4 Ų56.435%0.34732%0.318SS..Hα-helixtrans-63.3-42.6177.2-70.1178.777.3-166.1-2.7112.5S249 I254 D256 C257 F264S249-R260 PolarHBondContact O-NE 3.47Å; I254-R260 HydrophobicContact CG2-CG 4.39Å; D256-R260 WeakPolarHBondContact O-CG 3.41Å; D256-R260 PolarHBondContact O-N 3.28Å; D256-R260 VanDerWaalsContact O-N 3.12Å; C257-R260 PolarHBondContact O-N 3.37Å; R260-F264 WeakPolarHBondContact O-CB 3.46Å; R260-F264 PolarHBondContact O-N 3.38Å
261I87.6Confident86.5Confident40 Ų4055.3 Ų55.321%0.20531%0.313CS..Hα-helixtrans-62.4-47.1174.5-68.2166000110.3V10 C257 S258 F264 K265V10-I261 HydrophobicContact CG2-CG1 4.44Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 2.81Å; S258-I261 PolarHBondContact O-N 3.06Å; I261-F264 PolarHBondContact O-N 3.34Å; I261-K265 HydrophobicContact CG2-CD 4.22Å; I261-K265 WeakPolarHBondContact O-CG 3.47Å; I261-K265 PolarHBondContact O-N 3.4Å
262S90Very high87.5Confident69 Ų6954.9 Ų54.948%0.48331%0.31SS..Hα-helixtrans-62.4-45.2-179.2-61.10000112.1S258 T259 F264 K265 A266S258-S262 WeakPolarHBondContact O-CB 3.43Å; S258-S262 PolarHBondContact O-N 3.3Å; S258-S262 PolarHBondContact O-OG 3.28Å; T259-S262 PolarHBondContact O-N 2.69Å; S262-F264 VanDerWaalsContact C-N 3.34Å; S262-F264 PolarHBondContact O-N 3.31Å; S262-K265 PolarHBondContact O-N 2.89Å; S262-A266 VanDerWaalsContact O-CB 3.29Å; S262-A266 WeakPolarHBondContact O-CB 3.47Å; S262-A266 PolarHBondContact O-N 3.21Å
263L91.8Very high88.9Confident28 Ų2849.9 Ų49.915%0.14729%0.288CS..Hα-helixtrans-65.7-36.8177.3-73.2171.3000112.1P245 Y246 I254 T259 K267P245-L263 HydrophobicContact CB-CD1 4.5Å; P245-L263 HydrophobicContact CB-CD2 3.9Å; P245-L263 HydrophobicContact CG-CD2 4.09Å; Y246-L263 HydrophobicContact CD2-CB 4.11Å; I254-L263 HydrophobicContact CD1-CD1 4.1Å; T259-L263 HydrophobicContact CG2-CD1 3.83Å; T259-L263 HydrophobicContact CG2-CG 4.32Å; T259-L263 WeakPolarHBondContact O-CB 3.28Å; T259-L263 WeakPolarHBondContact O-CG 3.04Å; T259-L263 PolarHBondContact O-N 2.97Å; L263-K267 VanDerWaalsContact O-CB 3.26Å; L263-K267 WeakPolarHBondContact O-CB 3.42Å; L263-K267 PolarHBondContact O-N 3.38Å
264F89.6Confident90Very high10 Ų1044.7 Ų44.74%0.04426%0.257CS..Hα-helixtrans-63.6-50.4173.5176.1-99.8000111.8V10 Y11 L14 Y246 R260 I261 S262 A266 K267 E268V10-F264 HydrophobicContact CG1-CB 3.48Å; V10-F264 VanDerWaalsContact CG1-CB 3.48Å; V10-F264 HydrophobicContact CG1-CD1 3.94Å; V10-F264 HydrophobicContact CG1-CD2 3.9Å; V10-F264 HydrophobicContact CG1-CG 3.48Å; V10-F264 VanDerWaalsContact CG1-CG 3.48Å; V10-F264 WeakPolarHBondContact O-CD1 3.41Å; V10-F264 VanDerWaalsContact O-CE1 3.3Å; V10-F264 WeakPolarHBondContact O-CE1 3.17Å; Y11-F264 HydrophobicContact CD1-CD2 4.41Å; Y11-F264 HydrophobicContact CD1-CE1 4.15Å; Y11-F264 AromaticContact CD1-CE2 3.65Å; Y11-F264 HydrophobicContact CD1-CE2 3.65Å; Y11-F264 AromaticContact CD1-CZ 3.5Å; Y11-F264 HydrophobicContact CD1-CZ 3.5Å; Y11-F264 VanDerWaalsContact CD1-CZ 3.5Å; Y11-F264 HydrophobicContact CE1-CD2 4.1Å; Y11-F264 AromaticContact CE1-CE2 3.53Å; Y11-F264 HydrophobicContact CE1-CE2 3.53Å; Y11-F264 AromaticContact CE1-CZ 3.92Å; Y11-F264 HydrophobicContact CE1-CZ 3.92Å; L14-F264 HydrophobicContact CD1-CE1 4.03Å; L14-F264 HydrophobicContact CD1-CZ 4.32Å; L14-F264 HydrophobicContact CD2-CE1 4Å; L14-F264 HydrophobicContact CD2-CZ 4.02Å; L14-F264 HydrophobicContact CG-CE1 4.23Å; Y246-F264 HydrophobicContact CE2-CB 3.93Å; Y246-F264 AromaticContact CE2-CD2 3.93Å; Y246-F264 HydrophobicContact CE2-CD2 3.93Å; Y246-F264 HydrophobicContact CE2-CG 4.44Å; R260-F264 WeakPolarHBondContact O-CB 3.46Å; R260-F264 PolarHBondContact O-N 3.38Å; I261-F264 PolarHBondContact O-N 3.34Å; S262-F264 VanDerWaalsContact C-N 3.34Å; S262-F264 PolarHBondContact O-N 3.31Å; F264-A266 VanDerWaalsContact C-N 3.33Å; F264-A266 PolarHBondContact O-N 2.83Å; F264-K267 WeakPolarHBondContact O-CB 3.35Å; F264-K267 PolarHBondContact O-N 2.95Å; F264-K267 VanDerWaalsContact O-N 3.11Å; F264-E268 HydrophobicContact CE1-CG 4Å; F264-E268 HydrophobicContact CE2-CG 4.14Å; F264-E268 HydrophobicContact CZ-CG 3.77Å; F264-E268 PolarHBondContact O-N 3.49Å
265K91.4Very high91.1Very high72 Ų7242.9 Ų42.931%0.31325%0.248SC..Hα-helixtrans-60.9-41.7177.3-71.2-174.8177.8-172.50111.6D13 I261 S262 K267 E268 A269D13-K265 IonicContact OD2-NZ 3.38Å; D13-K265 PolarHBondContact OD2-NZ 3.03Å; I261-K265 HydrophobicContact CG2-CD 4.22Å; I261-K265 WeakPolarHBondContact O-CG 3.47Å; I261-K265 PolarHBondContact O-N 3.4Å; S262-K265 PolarHBondContact O-N 2.89Å; K265-K267 VanDerWaalsContact C-N 3.34Å; K265-K267 PolarHBondContact O-N 2.94Å; K265-E268 PolarHBondContact O-N 3.47Å; K265-A269 WeakPolarHBondContact O-CB 3.37Å; K265-A269 PolarHBondContact O-N 3.15Å
266A93.8Very high92.1Very high36 Ų3637.9 Ų37.930%0.29822%0.219SC..Hα-helixtrans-62.8-39.9174.500000112V242 S262 F264 A269 T270V242-A266 HydrophobicContact CG1-CB 3.74Å; V242-A266 HydrophobicContact CG2-CB 4.38Å; S262-A266 VanDerWaalsContact O-CB 3.29Å; S262-A266 WeakPolarHBondContact O-CB 3.47Å; S262-A266 PolarHBondContact O-N 3.21Å; F264-A266 VanDerWaalsContact C-N 3.33Å; F264-A266 PolarHBondContact O-N 2.83Å; A266-A269 PolarHBondContact O-N 3.39Å; A266-T270 WeakPolarHBondContact O-CB 3.44Å; A266-T270 WeakPolarHBondContact O-CG2 3.32Å; A266-T270 PolarHBondContact O-N 2.97Å; A266-T270 PolarHBondContact O-OG1 3.18Å
267K94Very high92.6Very high17 Ų1734.1 Ų34.17%0.07420%0.198CC..Hα-helixtrans-65.2-40.2175.8175.9-96.2163.71790111.5Y239 V242 Y246 L263 F264 K265 T270 L271Y239-K267 HydrophobicContact CE2-CG 4.43Å; V242-K267 HydrophobicContact CG1-CB 4.15Å; Y246-K267 HydrophobicContact CD1-CB 4.13Å; Y246-K267 HydrophobicContact CD1-CD 4.28Å; Y246-K267 HydrophobicContact CD1-CG 3.76Å; Y246-K267 HydrophobicContact CD2-CB 4.11Å; Y246-K267 HydrophobicContact CE1-CD 3.96Å; Y246-K267 HydrophobicContact CE1-CG 3.97Å; Y246-K267 HydrophobicContact CG-CB 3.89Å; Y246-K267 HydrophobicContact CG-CG 4.06Å; L263-K267 VanDerWaalsContact O-CB 3.26Å; L263-K267 WeakPolarHBondContact O-CB 3.42Å; L263-K267 PolarHBondContact O-N 3.38Å; F264-K267 WeakPolarHBondContact O-CB 3.35Å; F264-K267 PolarHBondContact O-N 2.95Å; F264-K267 VanDerWaalsContact O-N 3.11Å; K265-K267 VanDerWaalsContact C-N 3.34Å; K265-K267 PolarHBondContact O-N 2.94Å; K267-T270 PolarHBondContact O-OG1 2.96Å; K267-L271 WeakPolarHBondContact O-CB 3.33Å; K267-L271 PolarHBondContact O-N 3.3Å
268E93.6Very high93.2Very high7 Ų732 Ų323%0.03318%0.184CC..Hα-helixtrans-68.8-42.6176-71.7-57.6123.200112.1L14 K70 F264 K265 T270 L271 L272L14-E268 HydrophobicContact CD2-CG 3.84Å; K70-E268 IonicContact NZ-OE2 2.81Å; K70-E268 PolarHBondContact NZ-OE2 2.95Å; F264-E268 HydrophobicContact CE1-CG 4Å; F264-E268 HydrophobicContact CE2-CG 4.14Å; F264-E268 HydrophobicContact CZ-CG 3.77Å; F264-E268 PolarHBondContact O-N 3.49Å; K265-E268 PolarHBondContact O-N 3.47Å; E268-T270 PolarHBondContact O-N 3.49Å; E268-L271 PolarHBondContact O-N 3.38Å; E268-L272 PolarHBondContact O-N 3.41Å
269A95Very high93.6Very high33 Ų3330 Ų3027%0.27317%0.169SC..Hα-helixtrans-60.8-44.6176.100000112.1F17 K265 A266 L272 L273F17-A269 HydrophobicContact CD1-CB 4.47Å; F17-A269 HydrophobicContact CE1-CB 3.58Å; F17-A269 HydrophobicContact CZ-CB 4.04Å; K265-A269 WeakPolarHBondContact O-CB 3.37Å; K265-A269 PolarHBondContact O-N 3.15Å; A266-A269 PolarHBondContact O-N 3.39Å; A269-L272 WeakPolarHBondContact O-CB 3.39Å; A269-L272 PolarHBondContact O-N 3.4Å; A269-L273 PolarHBondContact O-N 3.4Å
270T96.9Very high93.9Very high15 Ų1530.4 Ų30.49%0.09217%0.167CC..Hα-helixtrans-75.8-27.3178.254.70000112.8P238 V242 A266 K267 E268 L272 L273 A274P238-T270 HydrophobicContact CB-CG2 3.68Å; V242-T270 HydrophobicContact CB-CG2 4.41Å; V242-T270 HydrophobicContact CG2-CG2 3.84Å; A266-T270 WeakPolarHBondContact O-CB 3.44Å; A266-T270 WeakPolarHBondContact O-CG2 3.32Å; A266-T270 PolarHBondContact O-N 2.97Å; A266-T270 PolarHBondContact O-OG1 3.18Å; K267-T270 PolarHBondContact O-OG1 2.96Å; E268-T270 PolarHBondContact O-N 3.49Å; T270-L272 VanDerWaalsContact C-N 3.33Å; T270-L273 WeakPolarHBondContact O-CB 3.35Å; T270-L273 PolarHBondContact O-N 2.94Å; T270-A274 PolarHBondContact O-N 3.05Å
271L96.6Very high94.4Very high4 Ų426.2 Ų26.22%0.02115%0.151CC..Hα-helixtrans-65.9-36.6169-178.962.8000111.5F21 I94 Y239 K267 E268 L273 A274 V275F21-L271 HydrophobicContact CZ-CG 4.39Å; I94-L271 HydrophobicContact CG2-CD1 3.89Å; Y239-L271 HydrophobicContact CD2-CB 4.19Å; Y239-L271 HydrophobicContact CD2-CD1 4.38Å; Y239-L271 HydrophobicContact CE2-CB 4.33Å; Y239-L271 HydrophobicContact CE2-CD1 4.13Å; K267-L271 WeakPolarHBondContact O-CB 3.33Å; K267-L271 PolarHBondContact O-N 3.3Å; E268-L271 PolarHBondContact O-N 3.38Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L271-A274 HydrophobicContact CD1-CB 4.47Å; L271-A274 WeakPolarHBondContact O-CB 3.49Å; L271-A274 PolarHBondContact O-N 2.95Å; L271-V275 HydrophobicContact CD1-CG1 4.47Å; L271-V275 PolarHBondContact O-N 2.75Å
272L96.6Very high94.6Very high21 Ų2125.4 Ų25.411%0.1115%0.148CC..Hα-helixtrans-59.7-43.7172.4175.167.4000111.3F17 F20 F21 V24 E268 A269 T270 A274 V275 S276F17-L272 HydrophobicContact CD1-CD2 4.47Å; F20-L272 HydrophobicContact CB-CD1 3.71Å; F20-L272 HydrophobicContact CB-CD2 3.42Å; F20-L272 VanDerWaalsContact CB-CD2 3.42Å; F20-L272 HydrophobicContact CB-CG 4.16Å; F20-L272 HydrophobicContact CD2-CD2 4.21Å; F20-L272 HydrophobicContact CG-CD2 3.97Å; F21-L272 HydrophobicContact CB-CD1 4.49Å; F21-L272 HydrophobicContact CD1-CD1 3.92Å; F21-L272 HydrophobicContact CD2-CD1 4.06Å; F21-L272 HydrophobicContact CE1-CB 4.3Å; F21-L272 HydrophobicContact CE1-CD1 4.08Å; F21-L272 HydrophobicContact CE2-CB 4.06Å; F21-L272 HydrophobicContact CE2-CD1 4.18Å; F21-L272 HydrophobicContact CG-CD1 3.89Å; F21-L272 HydrophobicContact CZ-CB 3.8Å; F21-L272 HydrophobicContact CZ-CD1 4.19Å; V24-L272 HydrophobicContact CG2-CD1 4.24Å; E268-L272 PolarHBondContact O-N 3.41Å; A269-L272 WeakPolarHBondContact O-CB 3.39Å; A269-L272 PolarHBondContact O-N 3.4Å; T270-L272 VanDerWaalsContact C-N 3.33Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 2.88Å; L272-V275 HydrophobicContact CD1-CG2 4.35Å; L272-V275 VanDerWaalsContact O-CG2 3.23Å; L272-V275 WeakPolarHBondContact O-CG2 3.49Å; L272-V275 PolarHBondContact O-N 3.34Å; L272-S276 PolarHBondContact O-N 2.93Å; L272-S276 VanDerWaalsContact O-N 3.11Å; L272-S276 PolarHBondContact O-OG 3.47Å
273L97.3Very high94.7Very high67 Ų6725.9 Ų25.935%0.35114%0.144SC..Hα-helixtrans-60.2-42.3173.3-64.8176.5000111.4C235 P238 A269 T270 L271 S276C235-L273 WeakPolarHBondContact CA-O 3.41Å; C235-L273 WeakPolarHBondContact CB-O 3.3Å; C235-L273 CarbonylContact O-C 3.35Å; P238-L273 HydrophobicContact CB-CD1 4.01Å; P238-L273 HydrophobicContact CG-CD1 4Å; A269-L273 PolarHBondContact O-N 3.4Å; T270-L273 WeakPolarHBondContact O-CB 3.35Å; T270-L273 PolarHBondContact O-N 2.94Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L273-S276 VanDerWaalsContact O-CB 3.28Å; L273-S276 WeakPolarHBondContact O-CB 3.31Å; L273-S276 PolarHBondContact O-N 2.89Å
274A97.8Very high94.7Very high3 Ų324.8 Ų24.83%0.02514%0.139CC..Hα-helixtrans-60.8-47.5177.900000113.8M98 C235 T270 L271 L272 S276 N277M98-A274 HydrophobicContact CE-CB 3.21Å; C235-A274 WeakPolarHBondContact O-CA 3.31Å; C235-A274 WeakPolarHBondContact O-CB 3.01Å; C235-A274 PolarHBondContact O-N 3.46Å; T270-A274 PolarHBondContact O-N 3.05Å; L271-A274 HydrophobicContact CD1-CB 4.47Å; L271-A274 WeakPolarHBondContact O-CB 3.49Å; L271-A274 PolarHBondContact O-N 2.95Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 2.88Å; A274-S276 PolarHBondContact O-N 3.48Å; A274-N277 WeakPolarHBondContact O-CB 3.26Å; A274-N277 PolarHBondContact O-N 3.23Å; A274-N277 PolarHBondContact O-OD1 2.92Å; A274-N277 VanDerWaalsContact O-OD1 3.08Å
275V97.3Very high94.8Very high3 Ų324.3 Ų24.32%0.01814%0.137CC..Hα-helixtrans-72.2-13.7178.4-58.40000113F21 V24 L63 L67 I94 L271 L272 N277 L278F21-V275 HydrophobicContact CD1-CG2 3.7Å; F21-V275 HydrophobicContact CE1-CB 4.47Å; F21-V275 HydrophobicContact CE1-CG1 4.23Å; F21-V275 HydrophobicContact CE1-CG2 3.44Å; F21-V275 VanDerWaalsContact CE1-CG2 3.44Å; V24-V275 HydrophobicContact CG1-CG2 4.15Å; V24-V275 VanDerWaalsContact CG1-O 3.28Å; V24-V275 WeakPolarHBondContact CG1-O 3.38Å; L63-V275 HydrophobicContact CD1-CG1 3.95Å; L63-V275 HydrophobicContact CD2-CB 4.03Å; L63-V275 HydrophobicContact CD2-CG1 4.17Å; L67-V275 HydrophobicContact CD2-CB 4.43Å; L67-V275 HydrophobicContact CD2-CG1 4.3Å; I94-V275 HydrophobicContact CG2-CG1 4.04Å; L271-V275 HydrophobicContact CD1-CG1 4.47Å; L271-V275 PolarHBondContact O-N 2.75Å; L272-V275 HydrophobicContact CD1-CG2 4.35Å; L272-V275 VanDerWaalsContact O-CG2 3.23Å; L272-V275 WeakPolarHBondContact O-CG2 3.49Å; L272-V275 PolarHBondContact O-N 3.34Å; V275-N277 VanDerWaalsContact C-OD1 3.25Å; V275-N277 WeakPolarHBondContact CA-OD1 3.36Å; V275-N277 PolarHBondContact O-N 3.29Å; V275-N277 PolarHBondContact O-OD1 2.9Å; V275-L278 WeakPolarHBondContact O-CG 3.49Å; V275-L278 PolarHBondContact O-N 3.48Å
276S96.8Very high94.8Very high20 Ų2025.1 Ų25.114%0.1414%0.139CC..THydrogen-bonded Turntrans-67.8-9.3173.2-58.60000111.9L272 L273 A274 L278 C279 F280L272-S276 PolarHBondContact O-N 2.93Å; L272-S276 VanDerWaalsContact O-N 3.11Å; L272-S276 PolarHBondContact O-OG 3.47Å; L273-S276 VanDerWaalsContact O-CB 3.28Å; L273-S276 WeakPolarHBondContact O-CB 3.31Å; L273-S276 PolarHBondContact O-N 2.89Å; A274-S276 PolarHBondContact O-N 3.48Å; S276-L278 PolarHBondContact O-N 3.11Å; S276-L278 VanDerWaalsContact O-N 3.17Å; S276-C279 WeakPolarHBondContact O-CB 3.48Å; S276-C279 PolarHBondContact O-N 3.26Å; S276-F280 WeakPolarHBondContact O-CD2 3.48Å; S276-F280 PolarHBondContact O-N 3.3Å
277N95.9Very high94.6Very high2 Ų226.5 Ų26.51%0.01114%0.139CC..Hα-helixtrans-48.7-37167.866.4-20000112.3N97 S101 C235 F236 A274 V275 C279 F280 D281N97-N277 PolarHBondContact OD1-ND2 2.81Å; S101-N277 PolarHBondContact OG-ND2 3.25Å; S101-N277 VanDerWaalsContact OG-ND2 3.09Å; C235-N277 HydrophobicContact CB-CB 4.39Å; F236-N277 HydrophobicContact CE1-CB 4.32Å; F236-N277 HydrophobicContact CZ-CB 3.79Å; A274-N277 WeakPolarHBondContact O-CB 3.26Å; A274-N277 PolarHBondContact O-N 3.23Å; A274-N277 PolarHBondContact O-OD1 2.92Å; A274-N277 VanDerWaalsContact O-OD1 3.08Å; V275-N277 VanDerWaalsContact C-OD1 3.25Å; V275-N277 WeakPolarHBondContact CA-OD1 3.36Å; V275-N277 PolarHBondContact O-N 3.29Å; V275-N277 PolarHBondContact O-OD1 2.9Å; N277-C279 PolarHBondContact O-N 2.77Å; N277-F280 PolarHBondContact O-N 3.47Å; N277-D281 VanDerWaalsContact O-CG 3.22Å; N277-D281 PolarHBondContact O-N 3.02Å
278L96.1Very high94.3Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-51.8-31.6173.5-70.2179.7000113.9V24 D60 L63 T64 L67 V275 S276 P282V24-L278 HydrophobicContact CG1-CB 4.47Å; V24-L278 HydrophobicContact CG1-CD1 4.34Å; D60-L278 HydrophobicContact CB-CD2 3.45Å; D60-L278 VanDerWaalsContact CB-CD2 3.45Å; L63-L278 HydrophobicContact CB-CD2 4.34Å; L63-L278 HydrophobicContact CD2-CD1 3.72Å; L63-L278 HydrophobicContact CD2-CD2 3.93Å; L63-L278 HydrophobicContact CD2-CG 3.58Å; L63-L278 HydrophobicContact CG-CD1 3.89Å; L63-L278 HydrophobicContact CG-CD2 4.36Å; L63-L278 HydrophobicContact CG-CG 4.22Å; T64-L278 HydrophobicContact CG2-CD1 3.98Å; T64-L278 HydrophobicContact CG2-CD2 4.13Å; L67-L278 HydrophobicContact CD1-CD1 3.6Å; V275-L278 WeakPolarHBondContact O-CG 3.49Å; V275-L278 PolarHBondContact O-N 3.48Å; S276-L278 PolarHBondContact O-N 3.11Å; S276-L278 VanDerWaalsContact O-N 3.17Å; L278-P282 WeakPolarHBondContact O-CD 3.42Å
279C94.9Very high94.1Very high32 Ų3225.7 Ų25.722%0.21614%0.135CC..Hα-helixtrans-86.3-29.3178.9-57.80000112.1V27 S276 N277V27-C279 HydrophobicContact CG1-CB 4.08Å; V27-C279 VanDerWaalsContact CG1-SG 3.59Å; S276-C279 WeakPolarHBondContact O-CB 3.48Å; S276-C279 PolarHBondContact O-N 3.26Å; N277-C279 PolarHBondContact O-N 2.77Å
280F93.9Very high93.6Very high68 Ų6831 Ų3130%0.29815%0.152SC..Hα-helixtrans-80.6-31.3178.7-70.2-77.5000112.7I234 C235 S276 N277 I283 L284I234-F280 HydrophobicContact CG2-CE2 4.31Å; I234-F280 HydrophobicContact CG2-CZ 4.12Å; C235-F280 WeakPolarHBondContact SG-CD2 3.21Å; C235-F280 VanDerWaalsContact SG-CE2 3.58Å; S276-F280 WeakPolarHBondContact O-CD2 3.48Å; S276-F280 PolarHBondContact O-N 3.3Å; N277-F280 PolarHBondContact O-N 3.47Å; F280-I283 VanDerWaalsContact O-CB 3.31Å; F280-I283 WeakPolarHBondContact O-CB 3.28Å; F280-I283 PolarHBondContact O-N 3.32Å; F280-I283 VanDerWaalsContact O-N 3.07Å; F280-L284 PolarHBondContact O-N 2.89Å
281D94.4Very high93.1Very high4 Ų430.8 Ų30.82%0.02115%0.152CC..Hα-helixtrans-63.1-39.4-175.9-70.8-25.8000113.6L56 N277 I283 L284 Y285L56-D281 HydrophobicContact CD2-CB 4.41Å; L56-D281 WeakPolarHBondContact CD2-OD1 3.35Å; N277-D281 VanDerWaalsContact O-CG 3.22Å; N277-D281 PolarHBondContact O-N 3.02Å; D281-I283 VanDerWaalsContact C-N 3.3Å; D281-I283 PolarHBondContact O-N 3.26Å; D281-L284 CarbonylContact O-C 3.58Å; D281-L284 WeakPolarHBondContact O-CA 3.3Å; D281-L284 VanDerWaalsContact O-CB 3.28Å; D281-L284 WeakPolarHBondContact O-CB 3.23Å; D281-L284 PolarHBondContact O-N 3.13Å; D281-L284 VanDerWaalsContact O-N 3.11Å; D281-Y285 HydrophobicContact CB-CE1 4.46Å; D281-Y285 HydrophobicContact CB-CE2 3.92Å; D281-Y285 WeakPolarHBondContact O-CD1 3.3Å; D281-Y285 WeakPolarHBondContact O-CD2 3.37Å; D281-Y285 PolarHBondContact O-N 2.98Å
282P92.2Very high92.7Very high23 Ų2331.1 Ų31.115%0.14915%0.153CC..Hα-helixtrans-57.4-37.8169.6-27.936000114.4L278 Y285 Y286 F292L278-P282 WeakPolarHBondContact O-CD 3.42Å; P282-Y285 PolarHBondContact O-N 2.8Å; P282-Y286 PolarHBondContact O-N 3.05Å; P282-Y286 VanDerWaalsContact O-N 3.09Å; P282-F292 HydrophobicContact CB-CZ 4.35Å; P282-F292 WeakPolarHBondContact O-CE1 3.29Å
283I92.6Very high92.4Very high78 Ų7833.2 Ų33.240%0.416%0.16SC..Hα-helixtrans-65.3-45.7175.6-52.3175.4000108.8L227 F280 D281 Y285 Y286 H287L227-I283 HydrophobicContact CD1-CG2 4.11Å; L227-I283 HydrophobicContact CD2-CG2 4.21Å; F280-I283 VanDerWaalsContact O-CB 3.31Å; F280-I283 WeakPolarHBondContact O-CB 3.28Å; F280-I283 PolarHBondContact O-N 3.32Å; F280-I283 VanDerWaalsContact O-N 3.07Å; D281-I283 VanDerWaalsContact C-N 3.3Å; D281-I283 PolarHBondContact O-N 3.26Å; I283-Y285 VanDerWaalsContact C-N 3.34Å; I283-Y285 PolarHBondContact O-N 3.14Å; I283-Y286 WeakPolarHBondContact O-CB 3.49Å; I283-Y286 PolarHBondContact O-N 3.09Å; I283-H287 PolarHBondContact O-CD2 3.46Å; I283-H287 VanDerWaalsContact O-CD2 3.28Å; I283-H287 PolarHBondContact O-N 3.31Å
284L92.1Very high91.9Very high6 Ų632.5 Ų32.53%0.03116%0.16CC..Hα-helixtrans-57.9-45.5175.2-178.468000112.1L53 L56 L105 V228 F280 D281 Y286 H287 L288L53-L284 HydrophobicContact CD2-CD2 4.01Å; L53-L284 HydrophobicContact CD2-CG 4.28Å; L56-L284 HydrophobicContact CD2-CD2 3.92Å; L105-L284 HydrophobicContact CD2-CD2 3.32Å; V228-L284 HydrophobicContact CB-CD1 4.43Å; V228-L284 HydrophobicContact CG2-CD1 3.32Å; F280-L284 PolarHBondContact O-N 2.89Å; D281-L284 CarbonylContact O-C 3.58Å; D281-L284 WeakPolarHBondContact O-CA 3.3Å; D281-L284 VanDerWaalsContact O-CB 3.28Å; D281-L284 WeakPolarHBondContact O-CB 3.23Å; D281-L284 PolarHBondContact O-N 3.13Å; D281-L284 VanDerWaalsContact O-N 3.11Å; L284-Y286 VanDerWaalsContact C-N 3.3Å; L284-Y286 PolarHBondContact O-N 2.94Å; L284-H287 PolarHBondContact O-N 2.94Å; L284-L288 HydrophobicContact CD1-CD1 3.34Å; L284-L288 HydrophobicContact CD1-CG 3.82Å; L284-L288 HydrophobicContact CD2-CD1 4.35Å; L284-L288 HydrophobicContact CG-CD1 3.71Å; L284-L288 HydrophobicContact CG-CG 4.27Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.95Å
285Y92.1Very high91.5Very high0 Ų032.8 Ų32.80%016%0.161CC..Hα-helixtrans-59-40.5178.1-58.5-31.2000111.7A35 F39 L53 L56 L57 D60 D281 P282 I283 H287 L288 S289 F292A35-Y285 HydrophobicContact CB-CD2 3.67Å; A35-Y285 HydrophobicContact CB-CE2 3.94Å; F39-Y285 HydrophobicContact CE2-CD1 4.47Å; F39-Y285 HydrophobicContact CZ-CD1 4.07Å; F39-Y285 HydrophobicContact CZ-CG 4.06Å; L53-Y285 HydrophobicContact CB-CD1 4Å; L53-Y285 HydrophobicContact CB-CE1 3.88Å; L53-Y285 HydrophobicContact CD1-CD1 4.24Å; L53-Y285 HydrophobicContact CD2-CD1 3.81Å; L53-Y285 HydrophobicContact CD2-CE1 3.82Å; L53-Y285 HydrophobicContact CG-CD1 4.18Å; L53-Y285 HydrophobicContact CG-CE1 4.32Å; L56-Y285 HydrophobicContact CD2-CE1 4.06Å; L56-Y285 WeakPolarHBondContact CG-OH 3.18Å; L57-Y285 WeakPolarHBondContact CA-OH 3.33Å; L57-Y285 HydrophobicContact CD1-CE2 4.23Å; L57-Y285 PolarHBondContact N-OH 3.32Å; L57-Y285 VanDerWaalsContact N-OH 3.16Å; D60-Y285 PolarHBondContact OD2-OH 2.89Å; D281-Y285 HydrophobicContact CB-CE1 4.46Å; D281-Y285 HydrophobicContact CB-CE2 3.92Å; D281-Y285 WeakPolarHBondContact O-CD1 3.3Å; D281-Y285 WeakPolarHBondContact O-CD2 3.37Å; D281-Y285 PolarHBondContact O-N 2.98Å; P282-Y285 PolarHBondContact O-N 2.8Å; I283-Y285 VanDerWaalsContact C-N 3.34Å; I283-Y285 PolarHBondContact O-N 3.14Å; Y285-H287 PolarHBondContact O-N 3.3Å; Y285-L288 PolarHBondContact O-N 3.39Å; Y285-S289 WeakPolarHBondContact O-CA 3.34Å; Y285-S289 VanDerWaalsContact O-CB 3.25Å; Y285-S289 WeakPolarHBondContact O-CB 3.47Å; Y285-S289 PolarHBondContact O-N 2.69Å; Y285-F292 HydrophobicContact CD2-CE2 4.29Å
286Y91.3Very high91.1Very high89 Ų8934.1 Ų34.135%0.34917%0.169SC..Hα-helixtrans-60.8-42.1176-176.2-97.6000113.5P282 I283 L284 F292 R293 V296P282-Y286 PolarHBondContact O-N 3.05Å; P282-Y286 VanDerWaalsContact O-N 3.09Å; I283-Y286 WeakPolarHBondContact O-CB 3.49Å; I283-Y286 PolarHBondContact O-N 3.09Å; L284-Y286 VanDerWaalsContact C-N 3.3Å; L284-Y286 PolarHBondContact O-N 2.94Å; Y286-F292 HydrophobicContact CD2-CD1 4.4Å; Y286-R293 HydrophobicContact CD2-CB 4.12Å; Y286-R293 HydrophobicContact CD2-CG 4.08Å; Y286-R293 HydrophobicContact CE2-CB 4.17Å; Y286-R293 HydrophobicContact CE2-CG 3.63Å; Y286-R293 PolarHBondContact O-NH1 3.29Å; Y286-R293 VanDerWaalsContact O-NH1 3.08Å; Y286-V296 HydrophobicContact CD2-CB 4.11Å; Y286-V296 HydrophobicContact CD2-CG1 4.17Å; Y286-V296 HydrophobicContact CD2-CG2 4.06Å; Y286-V296 HydrophobicContact CE2-CB 4.07Å; Y286-V296 HydrophobicContact CE2-CG1 3.89Å
287H88.6Confident90.8Very high65 Ų6536.2 Ų36.230%0.30118%0.181SC..Hα-helixtrans-75.8-38.2-179.5-77.9-85.8000112.5L227 I283 L284 Y285 R293L227-H287 HydrophobicContact CD2-CB 3.83Å; L227-H287 VanDerWaalsContact CD2-CD2 3.41Å; L227-H287 WeakPolarHBondContact CD2-CD2 3.33Å; I283-H287 PolarHBondContact O-CD2 3.46Å; I283-H287 VanDerWaalsContact O-CD2 3.28Å; I283-H287 PolarHBondContact O-N 3.31Å; L284-H287 PolarHBondContact O-N 2.94Å; Y285-H287 PolarHBondContact O-N 3.3Å; H287-R293 PolarHBondContact O-NH1 2.86Å
288L88.1Confident90.5Very high5 Ų541 Ų413%0.02620%0.203CC..Hα-helixtrans-94.8-26.7-170.5-62-170.7000115.1V49 L53 V108 R112 N224 V228 L284 Y285V49-L288 HydrophobicContact CG2-CD1 4.44Å; L53-L288 HydrophobicContact CD1-CB 3.83Å; L53-L288 HydrophobicContact CD2-CD1 4.04Å; V108-L288 HydrophobicContact CG1-CD1 3.26Å; R112-L288 PolarHBondContact NH2-O 3.38Å; N224-L288 HydrophobicContact CB-CD2 3.69Å; V228-L288 HydrophobicContact CG2-CD1 4.49Å; L284-L288 HydrophobicContact CD1-CD1 3.34Å; L284-L288 HydrophobicContact CD1-CG 3.82Å; L284-L288 HydrophobicContact CD2-CD1 4.35Å; L284-L288 HydrophobicContact CG-CD1 3.71Å; L284-L288 HydrophobicContact CG-CG 4.27Å; L284-L288 WeakPolarHBondContact O-CB 3.34Å; L284-L288 WeakPolarHBondContact O-CG 3.38Å; L284-L288 PolarHBondContact O-N 2.95Å; Y285-L288 PolarHBondContact O-N 3.39Å
289S88.7Confident90.2Very high1 Ų143.8 Ų43.81%0.00722%0.221CC..  trans-108.8119.5-176.9-173.70000112.1F39 Y285 A291 F292 R293F39-S289 WeakPolarHBondContact CE1-OG 3.42Å; Y285-S289 WeakPolarHBondContact O-CA 3.34Å; Y285-S289 VanDerWaalsContact O-CB 3.25Å; Y285-S289 WeakPolarHBondContact O-CB 3.47Å; Y285-S289 PolarHBondContact O-N 2.69Å; S289-A291 PolarHBondContact O-N 3.2Å; S289-A291 PolarHBondContact OG-N 3.49Å; S289-F292 PolarHBondContact OG-N 2.93Å; S289-R293 WeakPolarHBondContact O-CB 3.49Å; S289-R293 PolarHBondContact O-N 2.93Å
290K86.1Confident89.9Confident144 Ų14449.4 Ų49.463%0.62624%0.242SC*.Hα-helixtrans-63-35.7172.8-69.7-172178.6-177.10111.2S294K290-S294 WeakPolarHBondContact O-CB 3.38Å; K290-S294 PolarHBondContact O-N 3.42Å
291A86Confident89.3Confident12 Ų1247.4 Ų47.410%0.09924%0.238CC..Hα-helixtrans-65.8-50.1179.100000112.2K42 T44 S289 S294 K295K42-A291 HydrophobicContact CB-CB 3.48Å; K42-A291 VanDerWaalsContact CB-CB 3.48Å; K42-A291 HydrophobicContact CG-CB 3.95Å; T44-A291 HydrophobicContact CG2-CB 3.16Å; S289-A291 PolarHBondContact O-N 3.2Å; S289-A291 PolarHBondContact OG-N 3.49Å; A291-S294 PolarHBondContact O-N 3.26Å; A291-K295 PolarHBondContact O-N 2.99Å
292F87.2Confident87.6Confident10 Ų1050.6 Ų50.64%0.04426%0.26CS..Hα-helixtrans-60-50.8177-171.7-84.8000110.7F34 A35 A38 F39 P282 Y285 Y286 S289 S294 K295 V296F34-F292 HydrophobicContact CD1-CD2 4.41Å; F34-F292 AromaticContact CD1-CE2 3.6Å; F34-F292 HydrophobicContact CD1-CE2 3.6Å; F34-F292 AromaticContact CD1-CZ 3.67Å; F34-F292 HydrophobicContact CD1-CZ 3.67Å; F34-F292 HydrophobicContact CE1-CE1 4.38Å; F34-F292 HydrophobicContact CE1-CE2 4.01Å; F34-F292 AromaticContact CE1-CZ 3.95Å; F34-F292 HydrophobicContact CE1-CZ 3.95Å; A35-F292 VanDerWaalsContact CA-CE2 3.42Å; A35-F292 HydrophobicContact CB-CD2 3.94Å; A35-F292 HydrophobicContact CB-CE2 3.56Å; A38-F292 HydrophobicContact CB-CD2 4.07Å; F39-F292 HydrophobicContact CE1-CB 3.92Å; F39-F292 HydrophobicContact CE1-CD2 4.48Å; P282-F292 HydrophobicContact CB-CZ 4.35Å; P282-F292 WeakPolarHBondContact O-CE1 3.29Å; Y285-F292 HydrophobicContact CD2-CE2 4.29Å; Y286-F292 HydrophobicContact CD2-CD1 4.4Å; S289-F292 PolarHBondContact OG-N 2.93Å; F292-S294 PolarHBondContact O-N 2.93Å; F292-K295 PolarHBondContact O-N 3.48Å; F292-K295 VanDerWaalsContact O-N 3.08Å; F292-V296 HydrophobicContact CD1-CG2 3.76Å; F292-V296 HydrophobicContact CE1-CG2 3.5Å; F292-V296 VanDerWaalsContact CE1-CG2 3.5Å; F292-V296 HydrophobicContact CZ-CG2 4.2Å; F292-V296 WeakPolarHBondContact O-CG2 3.47Å; F292-V296 PolarHBondContact O-N 2.64Å
293R90.7Very high86Confident66 Ų6654.4 Ų54.425%0.24929%0.285CS..Hα-helixtrans-56.6-47.6177-178.8165.862.3-117.70.7112.6Y286 H287 S289 K295 V296 T297Y286-R293 HydrophobicContact CD2-CB 4.12Å; Y286-R293 HydrophobicContact CD2-CG 4.08Å; Y286-R293 HydrophobicContact CE2-CB 4.17Å; Y286-R293 HydrophobicContact CE2-CG 3.63Å; Y286-R293 PolarHBondContact O-NH1 3.29Å; Y286-R293 VanDerWaalsContact O-NH1 3.08Å; H287-R293 PolarHBondContact O-NH1 2.86Å; S289-R293 WeakPolarHBondContact O-CB 3.49Å; S289-R293 PolarHBondContact O-N 2.93Å; R293-K295 VanDerWaalsContact C-N 3.25Å; R293-K295 PolarHBondContact O-N 2.87Å; R293-V296 PolarHBondContact O-N 3.27Å; R293-T297 PolarHBondContact O-N 3.41Å; R293-T297 PolarHBondContact O-OG1 3.38Å
294S87.6Confident84Confident51 Ų5159 Ų5936%0.35730%0.302SS..Hα-helixtrans-58.8-39.1177.31760000111.6K290 A291 F292 E298K290-S294 WeakPolarHBondContact O-CB 3.38Å; K290-S294 PolarHBondContact O-N 3.42Å; A291-S294 PolarHBondContact O-N 3.26Å; F292-S294 PolarHBondContact O-N 2.93Å; S294-E298 VanDerWaalsContact O-CB 3.3Å; S294-E298 WeakPolarHBondContact O-CB 3.33Å; S294-E298 PolarHBondContact O-N 2.94Å
295K89.3Confident82.1Confident9 Ų964.7 Ų64.74%0.03933%0.329CS..Hα-helixtrans-71.3-39.4179.1-170.964.5-173.6178.50112.3F34 A38 Q41 A291 F292 R293 E298 T299F34-K295 HydrophobicContact CZ-CB 4.45Å; F34-K295 HydrophobicContact CZ-CG 3.98Å; A38-K295 HydrophobicContact CB-CB 3.69Å; A38-K295 HydrophobicContact CB-CG 3.89Å; Q41-K295 VanDerWaalsContact OE1-CE 3.26Å; A291-K295 PolarHBondContact O-N 2.99Å; F292-K295 PolarHBondContact O-N 3.48Å; F292-K295 VanDerWaalsContact O-N 3.08Å; R293-K295 VanDerWaalsContact C-N 3.25Å; R293-K295 PolarHBondContact O-N 2.87Å; K295-E298 IonicContact NZ-OE1 2.97Å; K295-E298 PolarHBondContact NZ-OE1 3.32Å; K295-E298 PolarHBondContact O-N 3.19Å; K295-T299 WeakPolarHBondContact O-CB 3.34Å; K295-T299 PolarHBondContact O-N 3.49Å; K295-T299 PolarHBondContact O-OG1 3.18Å
296V89.7Confident80.2Confident31 Ų3168.4 Ų68.419%0.18835%0.351CS..Hα-helixtrans-57.7-51.1171.5173.60000109.9F34 Y286 F292 R293 E298 T299 F300F34-V296 HydrophobicContact CD1-CG2 4.45Å; F34-V296 HydrophobicContact CE1-CB 4.48Å; F34-V296 HydrophobicContact CE1-CG2 3.42Å; F34-V296 VanDerWaalsContact CE1-CG2 3.42Å; F34-V296 HydrophobicContact CZ-CG2 3.87Å; Y286-V296 HydrophobicContact CD2-CB 4.11Å; Y286-V296 HydrophobicContact CD2-CG1 4.17Å; Y286-V296 HydrophobicContact CD2-CG2 4.06Å; Y286-V296 HydrophobicContact CE2-CB 4.07Å; Y286-V296 HydrophobicContact CE2-CG1 3.89Å; F292-V296 HydrophobicContact CD1-CG2 3.76Å; F292-V296 HydrophobicContact CE1-CG2 3.5Å; F292-V296 VanDerWaalsContact CE1-CG2 3.5Å; F292-V296 HydrophobicContact CZ-CG2 4.2Å; F292-V296 WeakPolarHBondContact O-CG2 3.47Å; F292-V296 PolarHBondContact O-N 2.64Å; R293-V296 PolarHBondContact O-N 3.27Å; V296-E298 PolarHBondContact O-N 3.02Å; V296-T299 PolarHBondContact O-N 3.07Å; V296-F300 HydrophobicContact CB-CD2 4.49Å; V296-F300 HydrophobicContact CG1-CD2 3.92Å; V296-F300 WeakPolarHBondContact O-CB 3.04Å; V296-F300 WeakPolarHBondContact O-CD2 3.11Å; V296-F300 PolarHBondContact O-N 3.25Å
297T90.1Very high78.2Confident64 Ų6471.1 Ų71.139%0.39337%0.365SS..Hα-helixtrans-61.3-42.8178.8-51.10000111.7R293 T299 A301R293-T297 PolarHBondContact O-N 3.41Å; R293-T297 PolarHBondContact O-OG1 3.38Å; T297-T299 VanDerWaalsContact C-N 3.31Å; T297-T299 PolarHBondContact O-N 2.72Å; T297-A301 HydrophobicContact CG2-CB 3.93Å; T297-A301 WeakPolarHBondContact O-CA 3.22Å; T297-A301 WeakPolarHBondContact O-CB 3.44Å; T297-A301 PolarHBondContact O-N 3.34Å
298E89.6Confident76.4Confident102 Ų10270.4 Ų70.448%0.47737%0.371SS..Hα-helixtrans-62.4-36.5177-173.6-170.912500113.1K42 S294 K295 V296K42-E298 IonicContact NZ-OE2 3.74Å; S294-E298 VanDerWaalsContact O-CB 3.3Å; S294-E298 WeakPolarHBondContact O-CB 3.33Å; S294-E298 PolarHBondContact O-N 2.94Å; K295-E298 IonicContact NZ-OE1 2.97Å; K295-E298 PolarHBondContact NZ-OE1 3.32Å; K295-E298 PolarHBondContact O-N 3.19Å; V296-E298 PolarHBondContact O-N 3.02Å
299T89.7Confident74.6Confident60 Ų6076.7 Ų76.737%0.36840%0.4SS..Hα-helixtrans-86-33.6-174.3-48.90000112.3F34 K295 V296 T297F34-T299 HydrophobicContact CE2-CG2 4.33Å; K295-T299 WeakPolarHBondContact O-CB 3.34Å; K295-T299 PolarHBondContact O-N 3.49Å; K295-T299 PolarHBondContact O-OG1 3.18Å; V296-T299 PolarHBondContact O-N 3.07Å; T297-T299 VanDerWaalsContact C-N 3.31Å; T297-T299 PolarHBondContact O-N 2.72Å
300F88Confident72.7Confident150 Ų15084 Ų8466%0.65843%0.432SS*.Hα-helixtrans-115.8-11.2-171.1-61.2-74.3000114.6F34 V296F34-F300 AromaticContact CE2-CE2 3.85Å; F34-F300 HydrophobicContact CE2-CE2 3.85Å; F34-F300 HydrophobicContact CE2-CZ 4.44Å; F34-F300 AromaticContact CZ-CE2 3.97Å; F34-F300 HydrophobicContact CZ-CE2 3.97Å; V296-F300 HydrophobicContact CB-CD2 4.49Å; V296-F300 HydrophobicContact CG1-CD2 3.92Å; V296-F300 WeakPolarHBondContact O-CB 3.04Å; V296-F300 WeakPolarHBondContact O-CD2 3.11Å; V296-F300 PolarHBondContact O-N 3.25Å
301A82.2Confident70.8Confident26 Ų2683 Ų8322%0.21543%0.429CS..SBendtrans-76139.7172.100000110.7T297T297-A301 HydrophobicContact CG2-CB 3.93Å; T297-A301 WeakPolarHBondContact O-CA 3.22Å; T297-A301 WeakPolarHBondContact O-CB 3.44Å; T297-A301 PolarHBondContact O-N 3.34Å
302S58.1Low68.8Low70 Ų7087.9 Ų87.949%0.4945%0.453SS..  trans-62.4144.6175.4-175.90000110.4K304 E305S302-K304 PolarHBondContact O-N 3.47Å; S302-E305 PolarHBondContact O-N 3.12Å; S302-E305 VanDerWaalsContact O-N 3.11Å
303P57.9Low66.9Low104 Ų10492.1 Ų92.168%0.67548%0.476SS*.Hα-helixtrans-52.5-16.9178.1-26.833000115.4K307P303-K307 PolarHBondContact O-N 2.91Å
304K51.4Low64.4Low174 Ų17497.9 Ų97.976%0.75750%0.498SS*.Hα-helixtrans-69.8-34.2179-71-176.6175.3-178.20113.6S302 A308S302-K304 PolarHBondContact O-N 3.47Å; K304-A308 PolarHBondContact O-N 3.48Å
305E52.6Low62.2Low125 Ų12599.7 Ų99.758%0.58451%0.509SS*.Hα-helixtrans-75-34.2178.1-79.7-175.3150.200112.2S302 K307 A308 Q309S302-E305 PolarHBondContact O-N 3.12Å; S302-E305 VanDerWaalsContact O-N 3.11Å; E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.12Å; E305-A308 PolarHBondContact O-N 3.31Å; E305-Q309 WeakPolarHBondContact O-CB 3.32Å; E305-Q309 PolarHBondContact O-N 2.91Å
306T51.1Low60.2Low78 Ų78106.1 Ų106.148%0.47954%0.539SS..Hα-helixtrans-67.5-28.9177.6-40.70000112.5K310T306-K310 WeakPolarHBondContact O-CB 3.41Å; T306-K310 PolarHBondContact O-N 3.15Å
307K49.4Very low58Low147 Ų147110.6 Ų110.664%0.63956%0.562SS**Hα-helixtrans-74.7-47.6172.5-83.2-174175-175.50112.2P303 E305 Q309 K310 E311P303-K307 PolarHBondContact O-N 2.91Å; E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.12Å; K307-Q309 VanDerWaalsContact C-N 3.26Å; K307-Q309 PolarHBondContact O-N 2.05Å; K307-K310 PolarHBondContact O-N 2.96Å; K307-K310 VanDerWaalsContact O-N 3.16Å; K307-E311 WeakPolarHBondContact O-CB 3.3Å; K307-E311 WeakPolarHBondContact O-CG 3.47Å; K307-E311 PolarHBondContact O-N 3.28Å
308A50.9Low55.8Low50 Ų50114 Ų11441%0.41358%0.578SS.*Hα-helixtrans-60.3-37.1178.600000112.3K304 E305 E311 N312K304-A308 PolarHBondContact O-N 3.48Å; E305-A308 PolarHBondContact O-N 3.31Å; A308-E311 PolarHBondContact O-N 2.77Å; A308-N312 PolarHBondContact O-N 3.14Å
309Q50.3Low53.4Low136 Ų136116 Ų11664%0.63661%0.612SS**Hα-helixtrans-75-32.6178.2-160.6161.4-6.600113E305 K307 L313E305-Q309 WeakPolarHBondContact O-CB 3.32Å; E305-Q309 PolarHBondContact O-N 2.91Å; K307-Q309 VanDerWaalsContact C-N 3.26Å; K307-Q309 PolarHBondContact O-N 2.05Å; Q309-L313 WeakPolarHBondContact O-CD1 3.24Å; Q309-L313 PolarHBondContact O-N 3.39Å
310K48.5Very low51.6Low156 Ų156118.8 Ų118.868%0.67862%0.624SS**Hα-helixtrans-72-32.4170.6-88-177.3174.3-179.30112.9T306 K307 R314T306-K310 WeakPolarHBondContact O-CB 3.41Å; T306-K310 PolarHBondContact O-N 3.15Å; K307-K310 PolarHBondContact O-N 2.96Å; K307-K310 VanDerWaalsContact O-N 3.16Å; K310-R314 PolarHBondContact O-N 3.12Å
311E47.5Very low49.7Very low122 Ų122117.2 Ų117.257%0.5762%0.622SS**Hα-helixtrans-72.7-40.1177-77.8172.1169.900112K307 A308 L313 R314 C315K307-E311 WeakPolarHBondContact O-CB 3.3Å; K307-E311 WeakPolarHBondContact O-CG 3.47Å; K307-E311 PolarHBondContact O-N 3.28Å; A308-E311 PolarHBondContact O-N 2.77Å; E311-L313 PolarHBondContact O-N 3.49Å; E311-R314 WeakPolarHBondContact O-CB 3.33Å; E311-R314 PolarHBondContact O-N 2.86Å; E311-C315 PolarHBondContact O-N 3.14Å
312N43.7Very low47.9Very low115 Ų115122.2 Ų122.262%0.61565%0.645SS**Hα-helixtrans-62.6-41.4173.5-80.9-12000112.7A308 R314 C315 E316A308-N312 PolarHBondContact O-N 3.14Å; N312-R314 PolarHBondContact O-N 2.97Å; N312-C315 PolarHBondContact O-N 3.4Å; N312-E316 PolarHBondContact O-N 2.81Å; N312-E316 VanDerWaalsContact O-N 3.11Å
313L46.2Very low47.3Very low98 Ų98125.3 Ų125.351%0.51365%0.654SS.*Hα-helixtrans-65.8-20.5172.5-91.5150.8000113.4Q309 E311 N317Q309-L313 WeakPolarHBondContact O-CD1 3.24Å; Q309-L313 PolarHBondContact O-N 3.39Å; E311-L313 PolarHBondContact O-N 3.49Å; L313-N317 PolarHBondContact O-ND2 3.38Å
314R38.6Very low46.7Very low187 Ų187126.6 Ų126.671%0.70665%0.653SS**Hα-helixtrans-85-32.6175.9-161.8178.1-159.2-171.83.7112K310 E311 N312 N318K310-R314 PolarHBondContact O-N 3.12Å; E311-R314 WeakPolarHBondContact O-CB 3.33Å; E311-R314 PolarHBondContact O-N 2.86Å; N312-R314 PolarHBondContact O-N 2.97Å; R314-N318 PolarHBondContact O-ND2 2.89Å
315C41.8Very low46.3Very low89 Ų89123.5 Ų123.560%0.60165%0.646SS**Hα-helixtrans-73.4-36.4174.8-71.90000112.5E311 N312 N317 N318E311-C315 PolarHBondContact O-N 3.14Å; N312-C315 PolarHBondContact O-N 3.4Å; C315-N317 VanDerWaalsContact C-N 3.29Å; C315-N317 PolarHBondContact O-N 2.63Å; C315-N318 PolarHBondContact O-N 3.46Å
316E46.2Very low45.9Very low144 Ų144123.4 Ų123.467%0.67365%0.65SS**THydrogen-bonded Turntrans-68.6-23.2175.8-86.4180136.900114.2N312N312-E316 PolarHBondContact O-N 2.81Å; N312-E316 VanDerWaalsContact O-N 3.11Å
317N43.8Very low45.5Very low126 Ų126126.8 Ų126.867%0.67466%0.664SS**THydrogen-bonded Turntrans-92.6-3.1179.2-74.2-45.9000113.5L313 C315L313-N317 PolarHBondContact O-ND2 3.38Å; C315-N317 VanDerWaalsContact C-N 3.29Å; C315-N317 PolarHBondContact O-N 2.63Å
318N44.3Very low45.2Very low136 Ų136125.2 Ų125.273%0.72767%0.666SS**  trans-115.511.4-179.3-76.3-11.4000112.6R314 C315R314-N318 PolarHBondContact O-ND2 2.89Å; C315-N318 PolarHBondContact O-N 3.46Å
319A40.1Very low44.6Very low143 Ų143132 Ų132100%1.18269%0.689SS**  trans-119.10171.800000109.1

Retrieved 319 of 319 residues in 65.7 ms (Link to these results)

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