A0A077Z3V1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3V1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 183 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
1M54.6Low71.8Confident199 Ų199121 Ų12198%0.9860%0.603SS**  0980-145.1-160.2-46.400104.1I6M1-I6 HydrophobicContact SD-CD1 4.35Å
2D66.7Low72.5Confident108 Ų108118.3 Ų118.358%0.57860%0.597SS**  trans-79.6128.1-161.7-63.5-17.3000109E4 E5 I6D2-E4 PolarHBondContact O-N 3.12Å; D2-E5 PolarHBondContact O-N 3.47Å; D2-I6 PolarHBondContact O-N 3.42Å
3M69.4Low72.9Confident167 Ų167123 Ų12382%0.82360%0.603SS**Hα-helixtrans-52-27.6178.8-84.9-142.7-78.600112.2I6 A7M3-I6 PolarHBondContact O-N 3.49Å; M3-A7 PolarHBondContact O-N 3.5Å
4E72.3Confident73.4Confident128 Ų128122.9 Ų122.960%0.59860%0.601SS**Hα-helixtrans-67.6-34.2176.7-150.4-169.4139.700113.5D2 K8D2-E4 PolarHBondContact O-N 3.12Å; E4-K8 WeakPolarHBondContact O-CG 3.33Å; E4-K8 PolarHBondContact O-N 2.97Å; E4-K8 VanDerWaalsContact O-N 3.11Å; E4-K8 WeakPolarHBondContact OE1-CE 3.31Å; E4-K8 IonicContact OE1-NZ 2.74Å; E4-K8 PolarHBondContact OE1-NZ 3.39Å
5E72.3Confident74Confident108 Ų108125.5 Ų125.551%0.50561%0.607SS.*Hα-helixtrans-71.5-35.2175-72.8-167146.700111.9D2 R9D2-E5 PolarHBondContact O-N 3.47Å; E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 3.44Å; E5-R9 VanDerWaalsContact O-N 3.11Å
6I69.9Low74.4Confident75 Ų75124.6 Ų124.639%0.38561%0.605SS.*Hα-helixtrans-67.1-46.7176.7-61.3173.9000109.5M1 D2 M3 K8 R9 E10M1-I6 HydrophobicContact SD-CD1 4.35Å; D2-I6 PolarHBondContact O-N 3.42Å; M3-I6 PolarHBondContact O-N 3.49Å; I6-K8 VanDerWaalsContact C-N 3.34Å; I6-K8 PolarHBondContact O-N 3.01Å; I6-R9 PolarHBondContact O-N 3Å; I6-R9 VanDerWaalsContact O-N 3.12Å; I6-E10 PolarHBondContact O-N 3.42Å
7A77.2Confident74.9Confident55 Ų55123.2 Ų123.246%0.45560%0.601SS.*Hα-helixtrans-60.1-40.4176.900000112.7M3 R9 E10 A11M3-A7 PolarHBondContact O-N 3.5Å; A7-R9 PolarHBondContact O-N 3.23Å; A7-E10 PolarHBondContact O-N 3.03Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3Å
8K78.5Confident75.2Confident123 Ų123121.4 Ų121.454%0.53560%0.595SS.*Hα-helixtrans-64-39.6175.2-75.3171.5-172.11640112.1E4 I6 V12E4-K8 WeakPolarHBondContact O-CG 3.33Å; E4-K8 PolarHBondContact O-N 2.97Å; E4-K8 VanDerWaalsContact O-N 3.11Å; E4-K8 WeakPolarHBondContact OE1-CE 3.31Å; E4-K8 IonicContact OE1-NZ 2.74Å; E4-K8 PolarHBondContact OE1-NZ 3.39Å; I6-K8 VanDerWaalsContact C-N 3.34Å; I6-K8 PolarHBondContact O-N 3.01Å; K8-V12 WeakPolarHBondContact O-CG2 3.36Å; K8-V12 PolarHBondContact O-N 2.94Å; K8-V12 VanDerWaalsContact O-N 3.16Å
9R73Confident75.3Confident189 Ų189120.3 Ų120.371%0.71359%0.591SS**Hα-helixtrans-68.8-39176.8-73179.3-175.6-151.14.7112.2E5 I6 A7 V12 R13E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 3.44Å; E5-R9 VanDerWaalsContact O-N 3.11Å; I6-R9 PolarHBondContact O-N 3Å; I6-R9 VanDerWaalsContact O-N 3.12Å; A7-R9 PolarHBondContact O-N 3.23Å; R9-V12 PolarHBondContact O-N 3.24Å; R9-R13 WeakPolarHBondContact O-CB 3.28Å; R9-R13 PolarHBondContact O-N 3.38Å
10E76.1Confident75.3Confident117 Ų117116.9 Ų116.955%0.54758%0.583SS.*Hα-helixtrans-66.2-43175.7-77179.6165.400111.8I6 A7 V12 R13 Q14I6-E10 PolarHBondContact O-N 3.42Å; A7-E10 PolarHBondContact O-N 3.03Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.34Å; E10-R13 WeakPolarHBondContact O-CB 3.28Å; E10-R13 PolarHBondContact O-N 3.45Å; E10-R13 VanDerWaalsContact O-N 3.1Å; E10-Q14 PolarHBondContact O-N 3.29Å
11A80Confident75.4Confident62 Ų62116.6 Ų116.651%0.51258%0.58SS.*Hα-helixtrans-60.3-40.3175.200000112.7A7 K15A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 3Å; A11-K15 WeakPolarHBondContact O-CB 3.4Å; A11-K15 PolarHBondContact O-N 3.35Å; A11-K15 VanDerWaalsContact O-N 3.11Å
12V80.1Confident76.4Confident88 Ų88113 Ų11353%0.53356%0.564SS.*Hα-helixtrans-67-40.3174.6173.30000111.1K8 R9 E10 K15 I16K8-V12 WeakPolarHBondContact O-CG2 3.36Å; K8-V12 PolarHBondContact O-N 2.94Å; K8-V12 VanDerWaalsContact O-N 3.16Å; R9-V12 PolarHBondContact O-N 3.24Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.34Å; V12-K15 PolarHBondContact O-N 3.37Å; V12-I16 HydrophobicContact CG1-CD1 3.95Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 3.43Å; V12-I16 VanDerWaalsContact O-N 3.09Å
13R77.4Confident76.7Confident180 Ų180116.2 Ų116.268%0.67957%0.568SS**Hα-helixtrans-61.9-45.3176.8-174.7-179.1179.4174.3-0.2111.4R9 E10 K15 I16 L17R9-R13 WeakPolarHBondContact O-CB 3.28Å; R9-R13 PolarHBondContact O-N 3.38Å; E10-R13 WeakPolarHBondContact O-CB 3.28Å; E10-R13 PolarHBondContact O-N 3.45Å; E10-R13 VanDerWaalsContact O-N 3.1Å; R13-K15 PolarHBondContact O-N 3.32Å; R13-I16 PolarHBondContact O-N 3.04Å; R13-L17 HydrophobicContact CG-CD1 4.22Å; R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.37Å; R13-L17 VanDerWaalsContact O-N 3.08Å
14Q80.2Confident76.9Confident122 Ų122113 Ų11357%0.5755%0.554SS**Hα-helixtrans-58.3-48.2176.5-144.6101.3-0.900110.6E10 I16 L17 D18E10-Q14 PolarHBondContact O-N 3.29Å; Q14-I16 VanDerWaalsContact C-N 3.3Å; Q14-I16 PolarHBondContact O-N 3.15Å; Q14-L17 PolarHBondContact O-N 3.43Å; Q14-L17 VanDerWaalsContact O-N 3.08Å; Q14-D18 VanDerWaalsContact O-CG 3.3Å; Q14-D18 PolarHBondContact O-N 3.22Å
15K82.7Confident76.8Confident161 Ų161109.5 Ų109.570%0.754%0.539SS*.Hα-helixtrans-61.8-34.5-179.7-168.8175.5-176.8176.80113.6A11 V12 R13 N19A11-K15 WeakPolarHBondContact O-CB 3.4Å; A11-K15 PolarHBondContact O-N 3.35Å; A11-K15 VanDerWaalsContact O-N 3.11Å; V12-K15 PolarHBondContact O-N 3.37Å; R13-K15 PolarHBondContact O-N 3.32Å; K15-N19 WeakPolarHBondContact O-CB 3.46Å; K15-N19 PolarHBondContact O-N 2.91Å
16I80.7Confident76.8Confident111 Ų111112.6 Ų112.657%0.56955%0.551SS**Hα-helixtrans-70.3-42.4175.4-67.6166.6000110.3V12 R13 Q14 N19 A20V12-I16 HydrophobicContact CG1-CD1 3.95Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 3.43Å; V12-I16 VanDerWaalsContact O-N 3.09Å; R13-I16 PolarHBondContact O-N 3.04Å; Q14-I16 VanDerWaalsContact C-N 3.3Å; Q14-I16 PolarHBondContact O-N 3.15Å; I16-N19 PolarHBondContact O-N 3.09Å; I16-A20 WeakPolarHBondContact O-CB 3.41Å; I16-A20 PolarHBondContact O-N 3.41Å
17L81.4Confident76.7Confident101 Ų101113.9 Ų113.953%0.52956%0.562SS.*Hα-helixtrans-64.4-44.7177.7-70.9169.4000111.5R13 Q14 N19 A20 E21R13-L17 HydrophobicContact CG-CD1 4.22Å; R13-L17 WeakPolarHBondContact O-CG 3.45Å; R13-L17 PolarHBondContact O-N 3.37Å; R13-L17 VanDerWaalsContact O-N 3.08Å; Q14-L17 PolarHBondContact O-N 3.43Å; Q14-L17 VanDerWaalsContact O-N 3.08Å; L17-N19 VanDerWaalsContact C-N 3.32Å; L17-N19 PolarHBondContact O-N 2.96Å; L17-A20 PolarHBondContact O-N 3.01Å; L17-E21 WeakPolarHBondContact O-CB 3.31Å; L17-E21 PolarHBondContact O-N 2.83Å
18D80.4Confident75.9Confident92 Ų92116 Ų11649%0.49257%0.565SS.*Hα-helixtrans-62.1-39.6177.6-64.4-15.7000111.8Q14 E21 L22Q14-D18 VanDerWaalsContact O-CG 3.3Å; Q14-D18 PolarHBondContact O-N 3.22Å; D18-E21 PolarHBondContact O-N 3.49Å; D18-L22 VanDerWaalsContact O-CB 3.32Å; D18-L22 WeakPolarHBondContact O-CB 3.38Å; D18-L22 PolarHBondContact O-N 3.45Å
19N77.9Confident74.8Confident100 Ų100112.5 Ų112.554%0.53556%0.564SS.*Hα-helixtrans-68-41.2176.2-166.1-52.6000111.4K15 I16 L17 L22 R23K15-N19 WeakPolarHBondContact O-CB 3.46Å; K15-N19 PolarHBondContact O-N 2.91Å; I16-N19 PolarHBondContact O-N 3.09Å; L17-N19 VanDerWaalsContact C-N 3.32Å; L17-N19 PolarHBondContact O-N 2.96Å; N19-L22 PolarHBondContact O-N 2.95Å; N19-R23 WeakPolarHBondContact O-CG 3.32Å; N19-R23 PolarHBondContact O-N 2.93Å
20A74.5Confident73.9Confident52 Ų52110.3 Ų110.343%0.4356%0.56SS.*Hα-helixtrans-63-43.6175.700000111.4I16 L17 R23 L24I16-A20 WeakPolarHBondContact O-CB 3.41Å; I16-A20 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 3.01Å; A20-R23 PolarHBondContact O-N 2.79Å; A20-L24 VanDerWaalsContact O-CB 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.36Å
21E77.7Confident72.4Confident111 Ų111110.9 Ų110.952%0.51958%0.577SS.*Hα-helixtrans-64.3-41.8176.4-172.8175.6-177.700111.7L17 D18 R23 L24 N25L17-E21 WeakPolarHBondContact O-CB 3.31Å; L17-E21 PolarHBondContact O-N 2.83Å; D18-E21 PolarHBondContact O-N 3.49Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.2Å; E21-L24 PolarHBondContact O-N 3.43Å; E21-N25 WeakPolarHBondContact O-CB 3.27Å; E21-N25 PolarHBondContact O-N 2.9Å
22L75.4Confident70.6Confident122 Ų122110.2 Ų110.264%0.63958%0.576SS**Hα-helixtrans-63.4-40.4176.6-168.4145.1000111.8D18 N19 K26D18-L22 VanDerWaalsContact O-CB 3.32Å; D18-L22 WeakPolarHBondContact O-CB 3.38Å; D18-L22 PolarHBondContact O-N 3.45Å; N19-L22 PolarHBondContact O-N 2.95Å; L22-K26 WeakPolarHBondContact O-CB 3.2Å; L22-K26 PolarHBondContact O-N 2.75Å; L22-K26 VanDerWaalsContact O-N 3.15Å
23R74.3Confident68.5Low176 Ų176111 Ų11166%0.66459%0.591SS**Hα-helixtrans-66.7-41.8173.2-71.8-178.872-178.81.8111.4N19 A20 E21 K26 V27N19-R23 WeakPolarHBondContact O-CG 3.32Å; N19-R23 PolarHBondContact O-N 2.93Å; A20-R23 PolarHBondContact O-N 2.79Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 3.2Å; R23-K26 WeakPolarHBondContact O-CB 3.47Å; R23-K26 PolarHBondContact O-N 3.36Å; R23-V27 WeakPolarHBondContact O-CG2 3.31Å; R23-V27 PolarHBondContact O-N 3.1Å
24L72.3Confident66.6Low101 Ų101108.8 Ų108.853%0.52960%0.598SS.*Hα-helixtrans-64.8-44179.1-166106.1000111.3A20 E21 K26 V27 L28A20-L24 VanDerWaalsContact O-CB 3.27Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.36Å; E21-L24 PolarHBondContact O-N 3.43Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 2.82Å; L24-V27 CarbonylContact O-C 3.58Å; L24-V27 PolarHBondContact O-N 3.04Å; L24-V27 VanDerWaalsContact O-N 3.16Å; L24-L28 HydrophobicContact CD2-CD1 3.4Å; L24-L28 HydrophobicContact CG-CD1 3.6Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.45Å
25N71.2Confident64.4Low54 Ų54107.7 Ų107.729%0.28960%0.604SS.*Hα-helixtrans-64.1-35176.1-77.7-23.3000112.1E21 G29 K30E21-N25 WeakPolarHBondContact O-CB 3.27Å; E21-N25 PolarHBondContact O-N 2.9Å; N25-G29 PolarHBondContact O-N 3.24Å; N25-K30 PolarHBondContact O-N 3.48Å
26K72.3Confident62.1Low172 Ų172105 Ų10575%0.74860%0.603SS**Hα-helixtrans-65.8-40172.7-169.5176.7-179.3-179.20112.3L22 R23 L24L22-K26 WeakPolarHBondContact O-CB 3.2Å; L22-K26 PolarHBondContact O-N 2.75Å; L22-K26 VanDerWaalsContact O-N 3.15Å; R23-K26 WeakPolarHBondContact O-CB 3.47Å; R23-K26 PolarHBondContact O-N 3.36Å; L24-K26 VanDerWaalsContact C-N 3.29Å; L24-K26 PolarHBondContact O-N 2.82Å
27V67.4Low60Low102 Ų102106.8 Ų106.862%0.61861%0.614SS**Hα-helixtrans-76-34.3177.7174.20000112.2R23 L24 G29 Y61R23-V27 WeakPolarHBondContact O-CG2 3.31Å; R23-V27 PolarHBondContact O-N 3.1Å; L24-V27 CarbonylContact O-C 3.58Å; L24-V27 PolarHBondContact O-N 3.04Å; L24-V27 VanDerWaalsContact O-N 3.16Å; V27-G29 VanDerWaalsContact C-N 3.26Å; V27-G29 PolarHBondContact O-N 3.04Å; V27-Y61 PolarHBondContact O-OH 2.83Å
28L60.2Low57.7Low100 Ų100107.1 Ų107.152%0.52462%0.624SS.*THydrogen-bonded Turntrans-82.3-2.3-179.9-74.7167000113.3L24 K30L24-L28 HydrophobicContact CD2-CD1 3.4Å; L24-L28 HydrophobicContact CG-CD1 3.6Å; L24-L28 HydrophobicContact CG-CG 4.36Å; L24-L28 WeakPolarHBondContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 3.45Å; L28-K30 HydrophobicContact CB-CG 4.46Å; L28-K30 PolarHBondContact O-N 2.97Å
29G55.1Low55.6Low49 Ų49109.9 Ų109.951%0.50564%0.639SS.*THydrogen-bonded Turntrans61.213.8-178.600000113.6N25 V27 S31N25-G29 PolarHBondContact O-N 3.24Å; V27-G29 VanDerWaalsContact C-N 3.26Å; V27-G29 PolarHBondContact O-N 3.04Å; G29-S31 PolarHBondContact O-N 3.23Å; G29-S31 VanDerWaalsContact O-N 3.09Å
30K54Low53.7Low144 Ų144113.3 Ų113.363%0.62665%0.652SS**  trans-82.488.2177.8-78.2-175.7176.1179.30108.4N25 L28 G32N25-K30 PolarHBondContact O-N 3.48Å; L28-K30 HydrophobicContact CB-CG 4.46Å; L28-K30 PolarHBondContact O-N 2.97Å; K30-G32 PolarHBondContact O-N 3.41Å
31S44.5Very low52Low129 Ų129118.7 Ų118.790%0.90267%0.668SS**  trans-72.173.2159.971.40000108.6G29G29-S31 PolarHBondContact O-N 3.23Å; G29-S31 VanDerWaalsContact O-N 3.09Å
32G42.8Very low49.9Very low48 Ų48122.7 Ų122.750%0.49568%0.684SS.*  trans-118.897.9177.900000108.7K30 T34K30-G32 PolarHBondContact O-N 3.41Å; G32-T34 PolarHBondContact O-N 3.39Å
33A35.6Very low48.1Very low104 Ų104124.7 Ų124.786%0.8670%0.695SS**  trans-62.3120.117000000109.6
34T37.5Very low46Very low134 Ų134120 Ų12082%0.82270%0.702SS**  trans-142.391158.3110000107.1G32G32-T34 PolarHBondContact O-N 3.39Å
35S34.2Very low44.2Very low98 Ų98121.7 Ų121.769%0.68572%0.716SS**  trans-75.3132.7161.2140.30000107.6
36P34.8Very low42.6Very low106 Ų106128.7 Ų128.769%0.68874%0.744SS**  trans-82.7163.2138.130.6-17.1000108.8
37D36Very low40.6Very low148 Ų148132.6 Ų132.679%0.79175%0.754SS**  trans77.360.8173.2-55.6-13.2000116.4D39D37-D39 VanDerWaalsContact C-N 3.26Å; D37-D39 PolarHBondContact O-N 2.98Å
38S34.8Very low39.1Very low107 Ų107137.1 Ų137.175%0.74877%0.765SS**  trans-61.693.113253.80000109
39D35.3Very low37.7Very low151 Ų151139 Ų13981%0.80778%0.781SS**  trans-170.9139.9144-95.8-29000111.1D37D37-D39 VanDerWaalsContact C-N 3.26Å; D37-D39 PolarHBondContact O-N 2.98Å
40E38.2Very low37Very low171 Ų171143.4 Ų143.480%0.79980%0.798SS**  trans86.8120.8162.3-62.5-168144.700121.7
41Q37.7Very low36.3Very low165 Ų165141.3 Ų141.377%0.77180%0.801SS**  trans8886.5144.1-77.8175.5-5.400119.3N43Q41-N43 PolarHBondContact O-N 3.24Å
42K34.3Very low35.7Very low195 Ų195142.3 Ų142.385%0.84880%0.797SS**  26.5100.3107.7-72.4177.8174.9173.50113.8
43N38.1Very low35.4Very low164 Ų164150.5 Ų150.588%0.87781%0.813SS**  -163.9120.6126.7-93-26.1000109.9Q41Q41-N43 PolarHBondContact O-N 3.24Å
44G29.7Very low35.5Very low79 Ų79156.7 Ų156.781%0.81481%0.814SS**  trans-73127.8-172.200000112.4
45V35.1Very low35.6Very low135 Ų135156 Ų15682%0.81881%0.805SS**  trans-144.2106.3154.1-178.10000108.7
46K36.2Very low35.7Very low202 Ų202157.2 Ų157.288%0.87881%0.814SS**  trans26.497.3153.9-67.8177.1177.5175.90117.7K48K46-K48 PolarHBondContact O-N 3.43Å
47R30.2Very low36Very low253 Ų253156.8 Ų156.896%0.95581%0.813SS**  trans-62112.2156.1-88.4-179.4-178.9168.61.1109.8
48K36.3Very low36.5Very low197 Ų197155.4 Ų155.486%0.85781%0.812SS**  trans-89.7117.1154.9-119.7179.8-179.1-178.60107.5K46 V50K46-K48 PolarHBondContact O-N 3.43Å; K48-V50 PolarHBondContact O-N 3.3Å
49T30.8Very low36.9Very low140 Ų140156.7 Ų156.786%0.85982%0.815SS**  trans-54.9116.9170.13.90000109.7
50V40.3Very low37.2Very low141 Ų141157.5 Ų157.586%0.85581%0.812SS**  trans-112.799.2161.1-179.60000106.8K48K48-V50 PolarHBondContact O-N 3.3Å
51S39.9Very low37.4Very low100 Ų100156.1 Ų156.170%0.69980%0.8SS**  trans-68.4135.5170.950.20000111.1
52N32.1Very low38Very low151 Ų151153.5 Ų153.581%0.80779%0.792SS**  trans38.1111.7150.4-86.9-15.4000119.1
53R35.3Very low38.7Very low219 Ų219148.5 Ų148.583%0.82678%0.779SS**  -149.599126.7-142.2172.6177.2149.94.7110.9D55R53-D55 VanDerWaalsContact C-N 3.33Å; R53-D55 WeakPolarHBondContact CD-OD2 3.46Å; R53-D55 WeakPolarHBondContact CG-OD2 3.49Å; R53-D55 IonicContact CZ-OD2 3.93Å; R53-D55 IonicContact NE-OD2 2.98Å; R53-D55 PolarHBondContact NE-OD2 2.91Å; R53-D55 PolarHBondContact O-N 2.83Å; R53-D55 VanDerWaalsContact O-N 3.13Å
54R39Very low39.1Very low234 Ų234145.2 Ų145.288%0.88377%0.767SS**  trans-64.794.2156.7-81.1177.9177172.3-1.7106.9
55D38.4Very low39.3Very low121 Ų121147.3 Ų147.365%0.64776%0.763SS**  trans-116.788.4159.4-77.7-34.3000106.8R53 S57R53-D55 VanDerWaalsContact C-N 3.33Å; R53-D55 WeakPolarHBondContact CD-OD2 3.46Å; R53-D55 WeakPolarHBondContact CG-OD2 3.49Å; R53-D55 IonicContact CZ-OD2 3.93Å; R53-D55 IonicContact NE-OD2 2.98Å; R53-D55 PolarHBondContact NE-OD2 2.91Å; R53-D55 PolarHBondContact O-N 2.83Å; R53-D55 VanDerWaalsContact O-N 3.13Å; D55-S57 PolarHBondContact O-N 2.9Å; D55-S57 VanDerWaalsContact O-N 3.15Å
56S36.9Very low39.4Very low123 Ų123149.7 Ų149.786%0.8676%0.763SS**  trans-67.896.9169.147.90000108.8
57S41.9Very low39.4Very low97 Ų97144.2 Ų144.268%0.67876%0.755SS**  trans-109.1130.2161.2-154.10000107.3D55 V59D55-S57 PolarHBondContact O-N 2.9Å; D55-S57 VanDerWaalsContact O-N 3.15Å; S57-V59 PolarHBondContact O-N 2.88Å
58P45.8Very low39.7Very low119 Ų119140.4 Ų140.477%0.77375%0.75SS**  trans-66.7111.2176.228.7-29.2000106.4K60P58-K60 VanDerWaalsContact C-N 3.32Å; P58-K60 PolarHBondContact O-N 3.3Å
59V44.5Very low39.9Very low134 Ų134135.3 Ų135.381%0.81274%0.74SS**  trans-60.3104.7169.5178.40000105.6S57 Y61S57-V59 PolarHBondContact O-N 2.88Å; V59-Y61 PolarHBondContact O-N 3.26Å
60K40.7Very low40.3Very low168 Ų168135.1 Ų135.173%0.7374%0.739SS**  trans-59.2106.7176-166.5-175.5-176.8-160.80106.7P58 D62P58-K60 VanDerWaalsContact C-N 3.32Å; P58-K60 PolarHBondContact O-N 3.3Å; K60-D62 PolarHBondContact O-N 3.47Å; K60-D62 VanDerWaalsContact O-N 3.16Å
61Y42.4Very low40.4Very low142 Ų142131.7 Ų131.756%0.55772%0.718SS**  trans-80.892.4177.8-152.4-80.6000107V27 V59V27-Y61 PolarHBondContact O-OH 2.83Å; V59-Y61 PolarHBondContact O-N 3.26Å
62D49.4Very low40.6Very low110 Ų110129.7 Ų129.759%0.58871%0.707SS**  trans-73.1123167.9-72.9-33.1000107.1K60K60-D62 PolarHBondContact O-N 3.47Å; K60-D62 VanDerWaalsContact O-N 3.16Å
63P49Very low41.3Very low89 Ų89126.1 Ų126.158%0.57869%0.694SS**  trans-57.5150176.525.3-33.1000109V65P63-V65 VanDerWaalsContact C-N 3.29Å; P63-V65 PolarHBondContact O-N 3.28Å
64P46.7Very low41.5Very low96 Ų96118.4 Ų118.462%0.62368%0.677SS**  trans-60.2100.1172.325.9-31.7000107.6F66P64-F66 PolarHBondContact O-N 3.46Å
65V33.5Very low41.8Very low123 Ų123112.7 Ų112.775%0.74566%0.664SS**  trans-64.7108.5164.6178.70000103.5P63 A67P63-V65 VanDerWaalsContact C-N 3.29Å; P63-V65 PolarHBondContact O-N 3.28Å; V65-A67 PolarHBondContact O-N 3.39Å
66F38.5Very low42.4Very low184 Ų184109.4 Ų109.481%0.80765%0.647SS**  trans-60.189.9161.8-65.3-80.7000105.7P64 M68P64-F66 PolarHBondContact O-N 3.46Å; F66-M68 PolarHBondContact O-N 3.44Å
67A35.6Very low42.9Very low87 Ų87109.5 Ų109.572%0.71964%0.644SS**  trans-63.496.7161.800000104.2V65 S69V65-A67 PolarHBondContact O-N 3.39Å; A67-S69 PolarHBondContact O-N 2.83Å
68M37.4Very low43.3Very low173 Ų173110.1 Ų110.185%0.85263%0.632SS**  trans-46.9119.6154.6-94.3-180171.700104.5F66 T70F66-M68 PolarHBondContact O-N 3.44Å; M68-T70 PolarHBondContact O-N 3.06Å
69S39.5Very low43.2Very low90 Ų90106.6 Ų106.663%0.62960%0.603SS**  trans-56.2110.517361.50000105.9A67 V71A67-S69 PolarHBondContact O-N 2.83Å; S69-V71 PolarHBondContact O-N 2.99Å
70T40.5Very low43.6Very low137 Ų137107.3 Ų107.384%0.8460%0.598SS**  trans-70.614.8167.752.30000111.3M68 A72M68-T70 PolarHBondContact O-N 3.06Å; T70-A72 PolarHBondContact O-N 3.3Å
71V41.6Very low43.9Very low68 Ų68102 Ų10241%0.41259%0.585SS.*  trans-60.390.2163.2176.60000105.1S69 D75 L76S69-V71 PolarHBondContact O-N 2.99Å; V71-D75 HydrophobicContact CB-CB 4.14Å; V71-D75 HydrophobicContact CG1-CB 3.43Å; V71-D75 VanDerWaalsContact CG1-CB 3.43Å; V71-D75 HydrophobicContact CG2-CB 4.47Å; V71-L76 HydrophobicContact CG1-CD1 4.46Å; V71-L76 HydrophobicContact CG1-CG 4.38Å
72A44.9Very low44.6Very low59 Ų59103.3 Ų103.349%0.48859%0.594SS.*  trans-52.2154.7163.400000107.4T70 A74 D75T70-A72 PolarHBondContact O-N 3.3Å; A72-A74 HydrophobicContact CB-CB 4.21Å; A72-A74 PolarHBondContact O-N 3.24Å; A72-D75 PolarHBondContact O-N 3.42Å
73S46.7Very low45Very low75 Ų7599.9 Ų99.952%0.52458%0.579SS.*G310 helixtrans-44.8-28174.6-27.60000112.8D75 L76 Y79S73-D75 VanDerWaalsContact C-N 3.35Å; S73-D75 PolarHBondContact O-N 2.93Å; S73-L76 VanDerWaalsContact CA-CD1 3.45Å; S73-L76 WeakPolarHBondContact O-CD1 3.27Å; S73-Y79 WeakPolarHBondContact O-CB 3.47Å; S73-Y79 WeakPolarHBondContact O-CD1 3.47Å
74A39Very low45.5Very low58 Ų5898 Ų9848%0.47956%0.562SS.*G310 helixtrans-57.8-27.9172.900000116.8A72A72-A74 HydrophobicContact CB-CB 4.21Å; A72-A74 PolarHBondContact O-N 3.24Å
75D45.2Very low46.3Very low113 Ų113102.4 Ų102.460%0.60457%0.566SS**G310 helixtrans-97.50.8-173.7-80.7-20.2000113.3V71 A72 S73V71-D75 HydrophobicContact CB-CB 4.14Å; V71-D75 HydrophobicContact CG1-CB 3.43Å; V71-D75 VanDerWaalsContact CG1-CB 3.43Å; V71-D75 HydrophobicContact CG2-CB 4.47Å; A72-D75 PolarHBondContact O-N 3.42Å; S73-D75 VanDerWaalsContact C-N 3.35Å; S73-D75 PolarHBondContact O-N 2.93Å
76L50.9Low47.9Very low53 Ų53102.5 Ų102.528%0.27756%0.562SS.*SBendtrans-71.4130.4173.1-67.9106.6000109V71 S73 W78 Y79V71-L76 HydrophobicContact CG1-CD1 4.46Å; V71-L76 HydrophobicContact CG1-CG 4.38Å; S73-L76 VanDerWaalsContact CA-CD1 3.45Å; S73-L76 WeakPolarHBondContact O-CD1 3.27Å; L76-W78 HydrophobicContact CB-CD2 4.07Å; L76-W78 HydrophobicContact CB-CG 4.44Å; L76-W78 HydrophobicContact CB-CZ2 4.07Å; L76-W78 VanDerWaalsContact CD2-CE2 3.49Å; L76-W78 HydrophobicContact CD2-CH2 3.7Å; L76-W78 HydrophobicContact CD2-CZ2 3.04Å; L76-W78 HydrophobicContact CG-CZ2 4.12Å; L76-W78 PolarHBondContact O-N 3.34Å; L76-Y79 PolarHBondContact O-N 3.4Å
77P48Very low49.1Very low124 Ų12495.2 Ų95.281%0.80553%0.531SS*.THydrogen-bonded Turntrans-65.50.2-172.822.5-30.8000114.6
78W50.8Low50.4Low111 Ų11192.7 Ų92.742%0.4251%0.507SS..THydrogen-bonded Turntrans-114.5-1.1174.654.577.9000113.6L76L76-W78 HydrophobicContact CB-CD2 4.07Å; L76-W78 HydrophobicContact CB-CG 4.44Å; L76-W78 HydrophobicContact CB-CZ2 4.07Å; L76-W78 VanDerWaalsContact CD2-CE2 3.49Å; L76-W78 HydrophobicContact CD2-CH2 3.7Å; L76-W78 HydrophobicContact CD2-CZ2 3.04Å; L76-W78 HydrophobicContact CG-CZ2 4.12Å; L76-W78 PolarHBondContact O-N 3.34Å
79Y43.4Very low52Low44 Ų4487.1 Ų87.117%0.17349%0.488CS..  trans-10087179.2-164.9-98.2000108.5S73 L76 A81 E84S73-Y79 WeakPolarHBondContact O-CB 3.47Å; S73-Y79 WeakPolarHBondContact O-CD1 3.47Å; L76-Y79 PolarHBondContact O-N 3.4Å; Y79-A81 PolarHBondContact O-N 3.45Å; Y79-E84 HydrophobicContact CE1-CG 4.22Å; Y79-E84 WeakPolarHBondContact CE1-OE1 3.42Å; Y79-E84 HydrophobicContact CE2-CG 4.39Å; Y79-E84 VanDerWaalsContact OH-CG 3.25Å; Y79-E84 WeakPolarHBondContact OH-CG 3.48Å; Y79-E84 PolarHBondContact OH-OE1 3.11Å
80E51.6Low53.5Low149 Ų14986.6 Ų86.670%0.69648%0.478SS*.  trans-74.8112.7168-70.5-176.1178.800107.5K82 S83E80-K82 PolarHBondContact O-N 3.13Å; E80-S83 VanDerWaalsContact O-CB 3.31Å; E80-S83 WeakPolarHBondContact O-CB 3.22Å; E80-S83 PolarHBondContact O-N 2.9Å; E80-S83 PolarHBondContact O-OG 2.94Å
81A48.5Very low54.7Low57 Ų5780.1 Ų80.147%0.47144%0.438SS..THydrogen-bonded Turntrans-55.5-9.1177.800000114.6Y79Y79-A81 PolarHBondContact O-N 3.45Å
82K55.4Low56Low170 Ų17079 Ų7974%0.73943%0.432SS*.THydrogen-bonded Turntrans-81.2-21.9170.9-67-174.2178.8178.60113.5E80 E84E80-K82 PolarHBondContact O-N 3.13Å; K82-E84 VanDerWaalsContact C-N 3.33Å
83S58.5Low57.5Low38 Ų3882 Ų8227%0.26643%0.434SS..Hα-helixtrans-70-28.9179.965.20000112.8E80 W85 L86 L87E80-S83 VanDerWaalsContact O-CB 3.31Å; E80-S83 WeakPolarHBondContact O-CB 3.22Å; E80-S83 PolarHBondContact O-N 2.9Å; E80-S83 PolarHBondContact O-OG 2.94Å; S83-W85 PolarHBondContact O-N 2.93Å; S83-L86 WeakPolarHBondContact O-CB 3.31Å; S83-L86 PolarHBondContact O-N 2.98Å; S83-L86 VanDerWaalsContact O-N 3.16Å; S83-L87 WeakPolarHBondContact O-CG 3.37Å; S83-L87 PolarHBondContact O-N 3.5Å
84E58.8Low58.5Low48 Ų4879.3 Ų79.322%0.22441%0.413CS..Hα-helixtrans-59.9-47177.2-64.4169.7-128.500111.8Y79 K82 L86 L87 V88 F167Y79-E84 HydrophobicContact CE1-CG 4.22Å; Y79-E84 WeakPolarHBondContact CE1-OE1 3.42Å; Y79-E84 HydrophobicContact CE2-CG 4.39Å; Y79-E84 VanDerWaalsContact OH-CG 3.25Å; Y79-E84 WeakPolarHBondContact OH-CG 3.48Å; Y79-E84 PolarHBondContact OH-OE1 3.11Å; K82-E84 VanDerWaalsContact C-N 3.33Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.84Å; E84-L87 PolarHBondContact O-N 3.41Å; E84-V88 WeakPolarHBondContact O-CG2 3.17Å; E84-V88 PolarHBondContact O-N 3.33Å; E84-F167 HydrophobicContact CG-CE2 4.46Å; E84-F167 HydrophobicContact CG-CZ 4.28Å
85W64.1Low59.9Low190 Ų19078.7 Ų78.772%0.7240%0.399SS*.Hα-helixtrans-65.6-33.3177-66.6102.8000112.3S83 A89S83-W85 PolarHBondContact O-N 2.93Å; W85-A89 VanDerWaalsContact O-CB 3.22Å; W85-A89 WeakPolarHBondContact O-CB 3.44Å; W85-A89 PolarHBondContact O-N 2.88Å
86L66.9Low61.1Low124 Ų12477.4 Ų77.465%0.64939%0.391SS*.Hα-helixtrans-65.5-42.2173.3-75.6167.4000111.3S83 E84 A89 L90S83-L86 WeakPolarHBondContact O-CB 3.31Å; S83-L86 PolarHBondContact O-N 2.98Å; S83-L86 VanDerWaalsContact O-N 3.16Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.84Å; L86-A89 PolarHBondContact O-N 3.06Å; L86-L90 VanDerWaalsContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 PolarHBondContact O-N 3.24Å
87L64.7Low62Low32 Ų3277.2 Ų77.217%0.16839%0.391CS..Hα-helixtrans-68-38.3176.7-70.1170.6000112.1S83 E84 L90 G91 D164 F167 M168S83-L87 WeakPolarHBondContact O-CG 3.37Å; S83-L87 PolarHBondContact O-N 3.5Å; E84-L87 PolarHBondContact O-N 3.41Å; L87-L90 WeakPolarHBondContact O-CB 3.26Å; L87-L90 PolarHBondContact O-N 2.83Å; L87-G91 PolarHBondContact O-N 3.1Å; L87-D164 HydrophobicContact CD1-CB 3.88Å; L87-D164 WeakPolarHBondContact CD1-OD1 3.27Å; L87-F167 HydrophobicContact CB-CB 4.3Å; L87-M168 HydrophobicContact CB-CG 4.26Å; L87-M168 HydrophobicContact CD2-CG 4.19Å; L87-M168 HydrophobicContact CD2-SD 4.36Å
88V62.9Low63Low33 Ų3372 Ų7220%0.236%0.356CS..Hα-helixtrans-64.8-46.4173.1172.70000110.7E84 L90 G91 V92E84-V88 WeakPolarHBondContact O-CG2 3.17Å; E84-V88 PolarHBondContact O-N 3.33Å; V88-L90 VanDerWaalsContact C-N 3.29Å; V88-L90 PolarHBondContact O-N 2.73Å; V88-G91 PolarHBondContact O-N 2.83Å; V88-G91 VanDerWaalsContact O-N 3.13Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.1Å; V88-V92 PolarHBondContact O-N 2.91Å
89A70.5Confident63.7Low57 Ų5770.8 Ų70.847%0.47136%0.357SS..Hα-helixtrans-62.2-36.9176.200000112W85 L86 V92 F93W85-A89 VanDerWaalsContact O-CB 3.22Å; W85-A89 WeakPolarHBondContact O-CB 3.44Å; W85-A89 PolarHBondContact O-N 2.88Å; L86-A89 PolarHBondContact O-N 3.06Å; A89-V92 WeakPolarHBondContact O-CB 3.5Å; A89-V92 PolarHBondContact O-N 3.23Å; A89-F93 WeakPolarHBondContact O-CB 3.37Å; A89-F93 PolarHBondContact O-N 2.68Å
90L70.9Confident64.8Low78 Ų7876.5 Ų76.541%0.40838%0.383SS..Hα-helixtrans-62.7-47.5172-170.569000110.3L86 L87 V88 V92 F93 L94 M168L86-L90 VanDerWaalsContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 PolarHBondContact O-N 3.24Å; L87-L90 WeakPolarHBondContact O-CB 3.26Å; L87-L90 PolarHBondContact O-N 2.83Å; V88-L90 VanDerWaalsContact C-N 3.29Å; V88-L90 PolarHBondContact O-N 2.73Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 2.89Å; L90-F93 WeakPolarHBondContact O-CB 3.43Å; L90-F93 PolarHBondContact O-N 3.35Å; L90-F93 VanDerWaalsContact O-N 3.11Å; L90-L94 HydrophobicContact CG-CD1 4.24Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 2.8Å; L90-M168 HydrophobicContact CD2-SD 3.99Å
91G64.7Low65.3Low1 Ų174.7 Ų74.71%0.0137%0.373CS..Hα-helixtrans-56.4-41.2174.800000113.7L87 V88 L94 R95L87-G91 PolarHBondContact O-N 3.1Å; V88-G91 PolarHBondContact O-N 2.83Å; V88-G91 VanDerWaalsContact O-N 3.13Å; G91-L94 PolarHBondContact O-N 3.41Å; G91-R95 PolarHBondContact O-N 3.47Å
92V70Confident66Low45 Ų4579.7 Ų79.727%0.27339%0.387SS..Hα-helixtrans-61.5-48.1173.71680000110.9V88 A89 L90 L94 R95 L96 T175V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.1Å; V88-V92 PolarHBondContact O-N 2.91Å; A89-V92 WeakPolarHBondContact O-CB 3.5Å; A89-V92 PolarHBondContact O-N 3.23Å; L90-V92 VanDerWaalsContact C-N 3.31Å; L90-V92 PolarHBondContact O-N 2.89Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.36Å; V92-R95 PolarHBondContact O-N 2.83Å; V92-L96 HydrophobicContact CG1-CD1 4.31Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 3.42Å; V92-T175 HydrophobicContact CB-CG2 3.88Å; V92-T175 HydrophobicContact CG1-CG2 3.73Å; V92-T175 HydrophobicContact CG2-CG2 3.62Å
93F75.2Confident66.4Low123 Ų12376.6 Ų76.654%0.53939%0.386SS..Hα-helixtrans-62-42.6178.7-177.5-97.2000111.9A89 L90 R95 L96 L97A89-F93 WeakPolarHBondContact O-CB 3.37Å; A89-F93 PolarHBondContact O-N 2.68Å; L90-F93 WeakPolarHBondContact O-CB 3.43Å; L90-F93 PolarHBondContact O-N 3.35Å; L90-F93 VanDerWaalsContact O-N 3.11Å; F93-R95 VanDerWaalsContact C-N 3.34Å; F93-R95 PolarHBondContact O-N 3.35Å; F93-L96 PolarHBondContact O-N 2.85Å; F93-L97 HydrophobicContact CE1-CD1 3.95Å; F93-L97 HydrophobicContact CZ-CD1 4.08Å; F93-L97 WeakPolarHBondContact O-CB 3.37Å; F93-L97 PolarHBondContact O-N 3.41Å
94L69.1Low66.6Low17 Ų1777.6 Ų77.69%0.08939%0.388CS..Hα-helixtrans-59.5-43.4175.5-68.7173.3000111.2L90 G91 V92 L97 V98 L108 I112L90-L94 HydrophobicContact CG-CD1 4.24Å; L90-L94 HydrophobicContact CG-CG 4.43Å; L90-L94 WeakPolarHBondContact O-CB 3.4Å; L90-L94 WeakPolarHBondContact O-CG 3.43Å; L90-L94 PolarHBondContact O-N 2.8Å; G91-L94 PolarHBondContact O-N 3.41Å; V92-L94 VanDerWaalsContact C-N 3.35Å; V92-L94 PolarHBondContact O-N 3.36Å; L94-L97 PolarHBondContact O-N 3.42Å; L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.4Å; L94-L108 HydrophobicContact CB-CD2 3.78Å; L94-L108 HydrophobicContact CD1-CD2 4.46Å; L94-L108 HydrophobicContact CD2-CD1 3.53Å; L94-L108 HydrophobicContact CD2-CD2 3.49Å; L94-L108 VanDerWaalsContact CD2-CD2 3.49Å; L94-L108 HydrophobicContact CD2-CG 3.48Å; L94-L108 VanDerWaalsContact CD2-CG 3.48Å; L94-L108 HydrophobicContact CG-CD2 4.07Å; L94-I112 HydrophobicContact CD1-CD1 4.03Å; L94-I112 HydrophobicContact CD1-CG1 4.43Å
95R67.3Low66.8Low45 Ų4577.8 Ų77.817%0.1739%0.391CS..Hα-helixtrans-62.5-44.7175.6-176.568.1-170.61706.9111.8G91 V92 F93 L97 V98 I99 F172 T175 H176G91-R95 PolarHBondContact O-N 3.47Å; V92-R95 PolarHBondContact O-N 2.83Å; F93-R95 VanDerWaalsContact C-N 3.34Å; F93-R95 PolarHBondContact O-N 3.35Å; R95-L97 VanDerWaalsContact C-N 3.29Å; R95-L97 PolarHBondContact O-N 2.88Å; R95-V98 PolarHBondContact O-N 2.98Å; R95-I99 WeakPolarHBondContact O-CG1 3.08Å; R95-I99 PolarHBondContact O-N 3.2Å; R95-F172 HydrophobicContact CB-CD2 3.68Å; R95-F172 HydrophobicContact CB-CE2 4.06Å; R95-F172 HydrophobicContact CB-CG 4.41Å; R95-F172 HydrophobicContact CG-CD2 4.23Å; R95-F172 HydrophobicContact CG-CE2 4.3Å; R95-T175 WeakPolarHBondContact CB-OG1 3.39Å; R95-T175 VanDerWaalsContact CG-OG1 3.27Å; R95-T175 WeakPolarHBondContact CG-OG1 3.48Å; R95-H176 PolarHBondContact NH2-CE1 3.21Å; R95-H176 PolarHBondContact NH2-ND1 2.79Å
96L72Confident66.7Low86 Ų8675.4 Ų75.445%0.4539%0.391SS..Hα-helixtrans-60.7-40.3176.9-70.4171.5000111.5V92 F93 I99 F100V92-L96 HydrophobicContact CG1-CD1 4.31Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 3.42Å; F93-L96 PolarHBondContact O-N 2.85Å; L96-I99 HydrophobicContact CD2-CD1 4.39Å; L96-I99 PolarHBondContact O-N 2.93Å; L96-F100 VanDerWaalsContact O-CD2 3.28Å; L96-F100 WeakPolarHBondContact O-CD2 3.2Å
97L68.7Low66.4Low50 Ų5071.5 Ų71.526%0.26238%0.381SS..Hα-helixtrans-66.1-40.3178.6-155.9107.6000112.4F93 L94 R95 I99 F100 F101 I104 L108F93-L97 HydrophobicContact CE1-CD1 3.95Å; F93-L97 HydrophobicContact CZ-CD1 4.08Å; F93-L97 WeakPolarHBondContact O-CB 3.37Å; F93-L97 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 3.42Å; R95-L97 VanDerWaalsContact C-N 3.29Å; R95-L97 PolarHBondContact O-N 2.88Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 PolarHBondContact O-N 2.83Å; L97-F100 PolarHBondContact O-N 2.89Å; L97-F101 PolarHBondContact O-N 3.4Å; L97-I104 HydrophobicContact CD2-CD1 4.37Å; L97-I104 HydrophobicContact CD2-CG2 3.87Å; L97-L108 HydrophobicContact CD2-CD1 3.7Å
98V68.4Low66.3Low14 Ų1470.9 Ų70.99%0.08538%0.377CS..Hα-helixtrans-64.5-29.1178.8169.60000112.3L94 R95 F100 F101 Q102 N105 L108L94-V98 VanDerWaalsContact O-CG2 3.28Å; L94-V98 WeakPolarHBondContact O-CG2 3.33Å; L94-V98 PolarHBondContact O-N 3.4Å; R95-V98 PolarHBondContact O-N 2.98Å; V98-F100 VanDerWaalsContact C-N 3.34Å; V98-F101 CarbonylContact O-C 3.55Å; V98-F101 PolarHBondContact O-N 3.09Å; V98-Q102 PolarHBondContact O-N 3.46Å; V98-N105 WeakPolarHBondContact CG1-OD1 3.3Å; V98-N105 VanDerWaalsContact CG2-OD1 3.31Å; V98-N105 WeakPolarHBondContact CG2-OD1 3.46Å; V98-L108 HydrophobicContact CG2-CD2 3.85Å
99I66.7Low66.3Low86 Ų8677 Ų7744%0.44140%0.397SS..Hα-helixtrans-63.4-41.1175.4-65.3163.9000111.1R95 L96 L97 L179R95-I99 WeakPolarHBondContact O-CG1 3.08Å; R95-I99 PolarHBondContact O-N 3.2Å; L96-I99 HydrophobicContact CD2-CD1 4.39Å; L96-I99 PolarHBondContact O-N 2.93Å; L97-I99 VanDerWaalsContact C-N 3.26Å; L97-I99 PolarHBondContact O-N 2.83Å; I99-L179 HydrophobicContact CD1-CD1 3.34Å; I99-L179 HydrophobicContact CG1-CD1 4.43Å
100F65.7Low65.9Low164 Ų16481.4 Ų81.472%0.71941%0.406SS*.Hα-helixtrans-81.6-29.6179.6-68.5-75.7000112.9L96 L97 V98L96-F100 VanDerWaalsContact O-CD2 3.28Å; L96-F100 WeakPolarHBondContact O-CD2 3.2Å; L97-F100 PolarHBondContact O-N 2.89Å; V98-F100 VanDerWaalsContact C-N 3.34Å
101F62.1Low65.6Low110 Ų11082.9 Ų82.948%0.48241%0.413SS..  trans-135.379.6-173-63.2-82.1000111.6L97 V98 S103 I104L97-F101 PolarHBondContact O-N 3.4Å; V98-F101 CarbonylContact O-C 3.55Å; V98-F101 PolarHBondContact O-N 3.09Å; F101-S103 PolarHBondContact O-N 3.24Å; F101-S103 VanDerWaalsContact O-N 3.12Å; F101-I104 HydrophobicContact CB-CB 3.96Å; F101-I104 HydrophobicContact CB-CD1 3.29Å; F101-I104 HydrophobicContact CB-CG1 3.58Å; F101-I104 HydrophobicContact CD1-CD1 3.95Å; F101-I104 HydrophobicContact CD2-CD1 4.02Å; F101-I104 HydrophobicContact CG-CD1 3.49Å; F101-I104 VanDerWaalsContact CG-CD1 3.49Å; F101-I104 HydrophobicContact CG-CG1 4.26Å; F101-I104 PolarHBondContact O-N 3Å
102Q63.1Low65.5Low163 Ų16384 Ų8476%0.76242%0.419SS*.G310 helixtrans-59.9-25.8-179.9-162160.5-1.300113.1V98 N105V98-Q102 PolarHBondContact O-N 3.46Å; Q102-N105 PolarHBondContact O-ND2 2.77Å
103S64.4Low65.1Low104 Ų10487.5 Ų87.573%0.72744%0.435SS*.G310 helixtrans-75.2-18.7175.449.50000114.4F101 N105F101-S103 PolarHBondContact O-N 3.24Å; F101-S103 VanDerWaalsContact O-N 3.12Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 2.93Å
104I63.3Low64.4Low59 Ų5985.5 Ų85.530%0.30343%0.431SS..G310 helixtrans-79-12.3-178.2-67.6177.7000111.8L97 F101 I106 G107 L108L97-I104 HydrophobicContact CD2-CD1 4.37Å; L97-I104 HydrophobicContact CD2-CG2 3.87Å; F101-I104 HydrophobicContact CB-CB 3.96Å; F101-I104 HydrophobicContact CB-CD1 3.29Å; F101-I104 HydrophobicContact CB-CG1 3.58Å; F101-I104 HydrophobicContact CD1-CD1 3.95Å; F101-I104 HydrophobicContact CD2-CD1 4.02Å; F101-I104 HydrophobicContact CG-CD1 3.49Å; F101-I104 VanDerWaalsContact CG-CD1 3.49Å; F101-I104 HydrophobicContact CG-CG1 4.26Å; F101-I104 PolarHBondContact O-N 3Å; I104-I106 PolarHBondContact O-N 3.34Å; I104-G107 CarbonylContact O-C 3.46Å; I104-G107 WeakPolarHBondContact O-CA 3.45Å; I104-G107 PolarHBondContact O-N 2.81Å; I104-L108 HydrophobicContact CG2-CB 4.42Å; I104-L108 HydrophobicContact CG2-CD1 3.9Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 2.76Å
105N61.1Low63.9Low52 Ų5287.7 Ų87.728%0.27844%0.444SS..Hα-helixtrans-44.6-46.5179.9-86-54000113.2V98 Q102 S103 L108 W109V98-N105 WeakPolarHBondContact CG1-OD1 3.3Å; V98-N105 VanDerWaalsContact CG2-OD1 3.31Å; V98-N105 WeakPolarHBondContact CG2-OD1 3.46Å; Q102-N105 PolarHBondContact O-ND2 2.77Å; S103-N105 VanDerWaalsContact C-N 3.27Å; S103-N105 PolarHBondContact O-N 2.93Å; N105-L108 WeakPolarHBondContact O-CB 3.41Å; N105-L108 PolarHBondContact O-N 3.43Å; N105-W109 PolarHBondContact O-N 3.27Å; N105-W109 VanDerWaalsContact O-N 3.15Å
106I62.5Low63.4Low141 Ų14186.7 Ų86.772%0.72345%0.446SS*.Hα-helixtrans-68.3-43.6-179.9-60.1160.8000111.6I104 L108 W109 F110I104-I106 PolarHBondContact O-N 3.34Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.35Å; I106-W109 PolarHBondContact O-N 3.21Å; I106-F110 PolarHBondContact O-N 3.06Å; I106-F110 VanDerWaalsContact O-N 3.09Å
107G60.7Low62.7Low42 Ų4283.9 Ų83.943%0.43344%0.438SS..Hα-helixtrans-65.9-30.7176.900000112.7I104 F110 L111I104-G107 CarbonylContact O-C 3.46Å; I104-G107 WeakPolarHBondContact O-CA 3.45Å; I104-G107 PolarHBondContact O-N 2.81Å; G107-F110 WeakPolarHBondContact O-CB 3.39Å; G107-F110 PolarHBondContact O-N 3.46Å; G107-L111 WeakPolarHBondContact O-CB 3.43Å; G107-L111 PolarHBondContact O-N 3.41Å
108L63.1Low62Low19 Ų1986.7 Ų86.710%0.09945%0.45CS..Hα-helixtrans-66.4-46.4176.3-145.983.8000111.6L94 L97 V98 I104 N105 I106 F110 L111 I112L94-L108 HydrophobicContact CB-CD2 3.78Å; L94-L108 HydrophobicContact CD1-CD2 4.46Å; L94-L108 HydrophobicContact CD2-CD1 3.53Å; L94-L108 HydrophobicContact CD2-CD2 3.49Å; L94-L108 VanDerWaalsContact CD2-CD2 3.49Å; L94-L108 HydrophobicContact CD2-CG 3.48Å; L94-L108 VanDerWaalsContact CD2-CG 3.48Å; L94-L108 HydrophobicContact CG-CD2 4.07Å; L97-L108 HydrophobicContact CD2-CD1 3.7Å; V98-L108 HydrophobicContact CG2-CD2 3.85Å; I104-L108 HydrophobicContact CG2-CB 4.42Å; I104-L108 HydrophobicContact CG2-CD1 3.9Å; I104-L108 WeakPolarHBondContact O-CB 3.5Å; I104-L108 PolarHBondContact O-N 2.76Å; N105-L108 WeakPolarHBondContact O-CB 3.41Å; N105-L108 PolarHBondContact O-N 3.43Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.35Å; L108-F110 VanDerWaalsContact C-N 3.27Å; L108-F110 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.22Å; L108-I112 PolarHBondContact O-N 2.82Å
109W62.1Low61.2Low160 Ų16092.1 Ų92.161%0.60647%0.472SS*.Hα-helixtrans-60.1-39.7172-75.8110.1000111.5N105 I106 I112 L113N105-W109 PolarHBondContact O-N 3.27Å; N105-W109 VanDerWaalsContact O-N 3.15Å; I106-W109 PolarHBondContact O-N 3.21Å; W109-I112 PolarHBondContact O-N 2.89Å; W109-L113 VanDerWaalsContact O-CG 3.31Å; W109-L113 WeakPolarHBondContact O-CG 3.31Å; W109-L113 PolarHBondContact O-N 3.4Å
110F63.6Low60.2Low151 Ų15193 Ų9366%0.66248%0.477SS*.Hα-helixtrans-65.1-39.2176.9-151.7-88.9000112.3I106 G107 L108 L113 D114I106-F110 PolarHBondContact O-N 3.06Å; I106-F110 VanDerWaalsContact O-N 3.09Å; G107-F110 WeakPolarHBondContact O-CB 3.39Å; G107-F110 PolarHBondContact O-N 3.46Å; L108-F110 VanDerWaalsContact C-N 3.27Å; L108-F110 PolarHBondContact O-N 3.21Å; F110-L113 PolarHBondContact O-N 3.35Å; F110-D114 WeakPolarHBondContact O-CB 3.42Å; F110-D114 PolarHBondContact O-N 3.25Å
111L62.8Low59.5Low108 Ų10896.1 Ų96.157%0.56548%0.484SS*.Hα-helixtrans-70.1-36.4177.9-163.5130.6000111.9G107 L108 D114 T115G107-L111 WeakPolarHBondContact O-CB 3.43Å; G107-L111 PolarHBondContact O-N 3.41Å; L108-L111 PolarHBondContact O-N 2.82Å; L111-D114 PolarHBondContact O-N 3.32Å; L111-T115 HydrophobicContact CD2-CG2 4.41Å; L111-T115 WeakPolarHBondContact O-CB 3.48Å; L111-T115 WeakPolarHBondContact O-CG2 3.43Å; L111-T115 PolarHBondContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 3.46Å
112I62.7Low58.7Low25 Ų2595.7 Ų95.713%0.12849%0.491CS..Hα-helixtrans-62.9-43.6171.5-66.5164000110.5L94 L108 W109 T115 A116 M168L94-I112 HydrophobicContact CD1-CD1 4.03Å; L94-I112 HydrophobicContact CD1-CG1 4.43Å; L108-I112 VanDerWaalsContact O-CG1 3.29Å; L108-I112 WeakPolarHBondContact O-CG1 3.22Å; L108-I112 PolarHBondContact O-N 2.82Å; W109-I112 PolarHBondContact O-N 2.89Å; I112-T115 WeakPolarHBondContact CA-OG1 3.25Å; I112-T115 PolarHBondContact O-OG1 3.39Å; I112-A116 VanDerWaalsContact O-CB 3.26Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.35Å; I112-M168 HydrophobicContact CG2-CE 3.87Å
113L61.7Low58Low118 Ų11892.3 Ų92.362%0.61847%0.474SS*.Hα-helixtrans-66.9-39.6176.3-71.6170.6000112.4W109 F110 A116 G117W109-L113 VanDerWaalsContact O-CG 3.31Å; W109-L113 WeakPolarHBondContact O-CG 3.31Å; W109-L113 PolarHBondContact O-N 3.4Å; F110-L113 PolarHBondContact O-N 3.35Å; L113-A116 PolarHBondContact O-N 3.39Å; L113-G117 PolarHBondContact O-N 3.05Å
114D62.3Low57.3Low82 Ų8296.7 Ų96.744%0.43948%0.479SS..Hα-helixtrans-68.3-43.6178.3-170.657.1000111.3F110 L111 G117 Q118F110-D114 WeakPolarHBondContact O-CB 3.42Å; F110-D114 PolarHBondContact O-N 3.25Å; L111-D114 PolarHBondContact O-N 3.32Å; D114-G117 CarbonylContact O-C 3.45Å; D114-G117 WeakPolarHBondContact O-CA 3.47Å; D114-G117 PolarHBondContact O-N 3.27Å; D114-G117 VanDerWaalsContact O-N 3.09Å; D114-Q118 WeakPolarHBondContact O-CG 3.4Å; D114-Q118 PolarHBondContact O-N 3.3Å; D114-Q118 PolarHBondContact OD2-NE2 3.22Å
115T57.5Low56.7Low62 Ų6297.8 Ų97.838%0.3849%0.491SS..Hα-helixtrans-63-43.1174.647.20000111.9L111 I112 G117 Q118 F119L111-T115 HydrophobicContact CD2-CG2 4.41Å; L111-T115 WeakPolarHBondContact O-CB 3.48Å; L111-T115 WeakPolarHBondContact O-CG2 3.43Å; L111-T115 PolarHBondContact O-N 3.16Å; L111-T115 PolarHBondContact O-OG1 3.46Å; I112-T115 WeakPolarHBondContact CA-OG1 3.25Å; I112-T115 PolarHBondContact O-OG1 3.39Å; T115-G117 VanDerWaalsContact C-N 3.27Å; T115-G117 PolarHBondContact O-N 3.03Å; T115-Q118 PolarHBondContact O-N 2.97Å; T115-F119 WeakPolarHBondContact O-CD2 3.34Å; T115-F119 PolarHBondContact O-N 3.02Å
116A57.7Low56.1Low24 Ų2496.7 Ų96.720%0.19849%0.487CS..Hα-helixtrans-59.7-38.9170.800000111.8I112 L113 F119 L120I112-A116 VanDerWaalsContact O-CB 3.26Å; I112-A116 WeakPolarHBondContact O-CB 3.36Å; I112-A116 PolarHBondContact O-N 3.35Å; L113-A116 PolarHBondContact O-N 3.39Å; A116-F119 PolarHBondContact O-N 3.27Å; A116-L120 PolarHBondContact O-N 3.19Å
117G56.3Low55.7Low27 Ų2794.7 Ų94.728%0.27848%0.483SS..Hα-helixtrans-67.1-35.2175.100000114.2L113 D114 T115 L120 R121L113-G117 PolarHBondContact O-N 3.05Å; D114-G117 CarbonylContact O-C 3.45Å; D114-G117 WeakPolarHBondContact O-CA 3.47Å; D114-G117 PolarHBondContact O-N 3.27Å; D114-G117 VanDerWaalsContact O-N 3.09Å; T115-G117 VanDerWaalsContact C-N 3.27Å; T115-G117 PolarHBondContact O-N 3.03Å; G117-L120 WeakPolarHBondContact O-CB 3.34Å; G117-L120 PolarHBondContact O-N 3.45Å; G117-R121 PolarHBondContact O-N 3.44Å
118Q55.1Low55.1Low110 Ų110100.1 Ų100.151%0.51449%0.492SS..Hα-helixtrans-73.3-39174.2-71.1-166.741.800111.4D114 T115 L120 R121 T122D114-Q118 WeakPolarHBondContact O-CG 3.4Å; D114-Q118 PolarHBondContact O-N 3.3Å; D114-Q118 PolarHBondContact OD2-NE2 3.22Å; T115-Q118 PolarHBondContact O-N 2.97Å; Q118-L120 PolarHBondContact O-N 3.24Å; Q118-R121 PolarHBondContact O-N 3.27Å; Q118-T122 PolarHBondContact O-N 3.45Å; Q118-T122 PolarHBondContact O-OG1 2.88Å
119F51.6Low54.6Low128 Ų128100 Ų10056%0.56149%0.492SS*.Hα-helixtrans-59.9-34169.9-95.7-81.3000112.4T115 A116 R121 T122 K123T115-F119 WeakPolarHBondContact O-CD2 3.34Å; T115-F119 PolarHBondContact O-N 3.02Å; A116-F119 PolarHBondContact O-N 3.27Å; F119-R121 PolarHBondContact O-N 2.99Å; F119-T122 PolarHBondContact O-N 3.1Å; F119-T122 PolarHBondContact O-OG1 3.46Å; F119-K123 PolarHBondContact O-N 2.84Å
120L45.8Very low54Low105 Ų10598.4 Ų98.455%0.5549%0.491SS..Hα-helixtrans-57.3-33.4171.9-130144000112.7A116 G117 Q118 F157A116-L120 PolarHBondContact O-N 3.19Å; G117-L120 WeakPolarHBondContact O-CB 3.34Å; G117-L120 PolarHBondContact O-N 3.45Å; Q118-L120 PolarHBondContact O-N 3.24Å; L120-F157 HydrophobicContact CB-CE2 4.46Å; L120-F157 HydrophobicContact CB-CZ 4.04Å; L120-F157 HydrophobicContact CD1-CD1 4.41Å; L120-F157 HydrophobicContact CD1-CE1 3.37Å; L120-F157 HydrophobicContact CD1-CE2 4.43Å; L120-F157 HydrophobicContact CD1-CZ 3.4Å; L120-F157 HydrophobicContact CG-CE1 3.7Å; L120-F157 HydrophobicContact CG-CE2 3.97Å; L120-F157 HydrophobicContact CG-CZ 3.39Å
121R49.1Very low53.4Low228 Ų22899 Ų9986%0.8650%0.496SS*.Hα-helixtrans-86-24.9179.7-70.2-177176.1174.90.9113.3G117 Q118 F119G117-R121 PolarHBondContact O-N 3.44Å; Q118-R121 PolarHBondContact O-N 3.27Å; F119-R121 PolarHBondContact O-N 2.99Å
122T46.6Very low52.8Low101 Ų10195.3 Ų95.362%0.6248%0.479SS*.Hα-helixtrans-99.7-24.6-172.557.90000114Q118 F119 K124Q118-T122 PolarHBondContact O-N 3.45Å; Q118-T122 PolarHBondContact O-OG1 2.88Å; F119-T122 PolarHBondContact O-N 3.1Å; F119-T122 PolarHBondContact O-OG1 3.46Å; T122-K124 PolarHBondContact O-N 2.67Å; T122-K124 VanDerWaalsContact O-N 3.14Å
123K47.7Very low52.2Low92 Ų92101.9 Ų101.940%0.451%0.507SS..  trans-71.5110.5176.1-82.7-167174.1179.90110.8F119F119-K123 PolarHBondContact O-N 2.84Å
124K49.9Very low51.6Low196 Ų196102.3 Ų102.385%0.85250%0.504SS*.PPolyproline II helixtrans-61.2133.5166.5-74.3178.6179.1175.10108.7T122 S126T122-K124 PolarHBondContact O-N 2.67Å; T122-K124 VanDerWaalsContact O-N 3.14Å; K124-S126 PolarHBondContact O-N 2.79Å
125P50.6Low51.1Low83 Ų8399.1 Ų99.154%0.53949%0.487SS..PPolyproline II helixtrans-59.8138-178.223.6-32.5000110.4
126S49.4Very low50.8Low28 Ų28101.2 Ų101.220%0.19650%0.496CS..PPolyproline II helixtrans-57.3140.9174.761.90000110.4K124 Y128K124-S126 PolarHBondContact O-N 2.79Å; S126-Y128 VanDerWaalsContact C-N 3.26Å; S126-Y128 PolarHBondContact O-N 2.84Å
127P52.9Low50.5Low100 Ų100103.1 Ų103.165%0.64951%0.505SS*.SBendtrans-71.6-13.9-174.521.2-27.8000114.7
128Y48.7Very low50.2Low156 Ų156103.1 Ų103.161%0.61250%0.5SS*.  trans-131.473.1-172.1-57.9-74.8000113.2S126 E130S126-Y128 VanDerWaalsContact C-N 3.26Å; S126-Y128 PolarHBondContact O-N 2.84Å; Y128-E130 PolarHBondContact O-N 3.37Å
129P51.9Low50Low16 Ų16101.9 Ų101.910%0.10450%0.496CS..G310 helixtrans-71.3-14173.229.1-33.6000113.1H131 C132 I135 V149P129-H131 PolarHBondContact O-N 3.3Å; P129-C132 PolarHBondContact O-N 3.22Å; P129-I135 HydrophobicContact CB-CD1 4.25Å; P129-I135 WeakPolarHBondContact O-CD1 3.21Å; P129-V149 HydrophobicContact CB-CG1 4.06Å; P129-V149 HydrophobicContact CG-CG1 3.8Å; P129-V149 HydrophobicContact CG-CG2 4.37Å
130E49.3Very low50.2Low127 Ų127100.5 Ų100.559%0.59350%0.503SS*.G310 helixtrans-73.5-1-170.557.9-158.3167.500116.2Y128Y128-E130 PolarHBondContact O-N 3.37Å
131H51.2Low50.5Low162 Ų162103.1 Ų103.175%0.7551%0.51SS*.G310 helixtrans-104.63175.8-63.9-59.7000113.9P129P129-H131 PolarHBondContact O-N 3.3Å
132C50.6Low50.7Low31 Ų3196.8 Ų96.821%0.20951%0.506CS..  trans-78.4126.1174.8-78.70000110.7P129 F134 I135P129-C132 PolarHBondContact O-N 3.22Å; C132-F134 PolarHBondContact O-N 2.82Å; C132-I135 HydrophobicContact CB-CG1 4.31Å; C132-I135 WeakPolarHBondContact O-CB 3.39Å; C132-I135 PolarHBondContact O-N 3.46Å
133F51.1Low50.9Low163 Ų16395.1 Ų95.172%0.71549%0.493SS*.Hα-helixtrans-49.1-27.5173.4-175.3-100.2000113.3I135 D136 V137F133-I135 VanDerWaalsContact C-N 3.29Å; F133-I135 PolarHBondContact O-N 2.78Å; F133-D136 PolarHBondContact O-N 3.36Å; F133-V137 HydrophobicContact CD1-CG2 4.34Å; F133-V137 HydrophobicContact CE1-CG2 4.04Å; F133-V137 PolarHBondContact O-N 3.01Å
134F48.5Very low51.7Low128 Ų12894.7 Ų94.756%0.56150%0.5SS*.Hα-helixtrans-61.4-30.4173.4-84.2-84.3000114.2C132 C138C132-F134 PolarHBondContact O-N 2.82Å; F134-C138 WeakPolarHBondContact O-CB 3.28Å; F134-C138 PolarHBondContact O-N 3.14Å; F134-C138 PolarHBondContact O-SG 3.22Å
135I52Low52Low15 Ų1590.6 Ų90.68%0.07749%0.487CS..Hα-helixtrans-73-37.1-178.3-58.8-154.5000111.3P129 C132 F133 C138 L139 V148 V149P129-I135 HydrophobicContact CB-CD1 4.25Å; P129-I135 WeakPolarHBondContact O-CD1 3.21Å; C132-I135 HydrophobicContact CB-CG1 4.31Å; C132-I135 WeakPolarHBondContact O-CB 3.39Å; C132-I135 PolarHBondContact O-N 3.46Å; F133-I135 VanDerWaalsContact C-N 3.29Å; F133-I135 PolarHBondContact O-N 2.78Å; I135-C138 PolarHBondContact O-N 3Å; I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.02Å; I135-L139 WeakPolarHBondContact O-CG 3.44Å; I135-L139 PolarHBondContact O-N 3.03Å; I135-V148 HydrophobicContact CB-CG1 3.98Å; I135-V148 HydrophobicContact CD1-CG1 4.4Å; I135-V148 HydrophobicContact CG1-CG1 3.88Å; I135-V148 HydrophobicContact CG2-CG1 3.87Å; I135-V149 HydrophobicContact CD1-CG2 4.07Å
136D50.1Low52.6Low106 Ų10695.6 Ų95.657%0.56750%0.5SS*.Hα-helixtrans-67.3-39.7175.5-80.3-21.6000112.1F133 S140F133-D136 PolarHBondContact O-N 3.36Å; D136-S140 PolarHBondContact O-N 2.81Å; D136-S140 PolarHBondContact O-OG 3.27Å
137V52.6Low53.1Low64 Ų6497.8 Ų97.839%0.38851%0.509SS..Hα-helixtrans-67.4-42.2175.8179.30000110.9F133 S140 F141F133-V137 HydrophobicContact CD1-CG2 4.34Å; F133-V137 HydrophobicContact CE1-CG2 4.04Å; F133-V137 PolarHBondContact O-N 3.01Å; V137-S140 VanDerWaalsContact O-CB 3.24Å; V137-S140 WeakPolarHBondContact O-CB 3.15Å; V137-S140 PolarHBondContact O-N 2.91Å; V137-F141 HydrophobicContact CG1-CE2 4.48Å; V137-F141 WeakPolarHBondContact O-CD2 3.37Å
138C48.8Very low53.3Low26 Ų2693.1 Ų93.118%0.17648%0.479CS..Hα-helixtrans-75.4-28.5-179.8-69.20000114.1F134 I135 S140 F141 L143 V148F134-C138 WeakPolarHBondContact O-CB 3.28Å; F134-C138 PolarHBondContact O-N 3.14Å; F134-C138 PolarHBondContact O-SG 3.22Å; I135-C138 PolarHBondContact O-N 3Å; C138-S140 PolarHBondContact O-N 3.45Å; C138-F141 PolarHBondContact O-N 3.28Å; C138-L143 HydrophobicContact CB-CD1 4.29Å; C138-V148 HydrophobicContact CB-CB 3.99Å; C138-V148 HydrophobicContact CB-CG1 3.42Å; C138-V148 VanDerWaalsContact CB-CG1 3.42Å; C138-V148 HydrophobicContact CB-CG2 3.45Å; C138-V148 VanDerWaalsContact CB-CG2 3.45Å
139L51Low53.7Low85 Ų8587.2 Ų87.245%0.44546%0.459SS..Hα-helixtrans-62.5-32.5168.9-92.8157.8000111.7I135 F141 A142 L145I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 VanDerWaalsContact O-CB 3.29Å; I135-L139 WeakPolarHBondContact O-CB 3.02Å; I135-L139 WeakPolarHBondContact O-CG 3.44Å; I135-L139 PolarHBondContact O-N 3.03Å; L139-F141 PolarHBondContact O-N 3.41Å; L139-A142 PolarHBondContact O-N 2.82Å; L139-L145 HydrophobicContact CD2-CD1 3.72Å; L139-L145 HydrophobicContact CG-CD1 4.39Å
140S55.8Low54.2Low99 Ų9988.5 Ų88.569%0.69247%0.471SS*.THydrogen-bonded Turntrans-64.7-21.8175.4-51.50000113.1D136 V137 C138D136-S140 PolarHBondContact O-N 2.81Å; D136-S140 PolarHBondContact O-OG 3.27Å; V137-S140 VanDerWaalsContact O-CB 3.24Å; V137-S140 WeakPolarHBondContact O-CB 3.15Å; V137-S140 PolarHBondContact O-N 2.91Å; C138-S140 PolarHBondContact O-N 3.45Å
141F53.6Low54.8Low159 Ų15988.1 Ų88.170%0.69747%0.467SS*.THydrogen-bonded Turntrans-100.714179.7-77.7-79.9000114.2V137 C138 L139 L143V137-F141 HydrophobicContact CG1-CE2 4.48Å; V137-F141 WeakPolarHBondContact O-CD2 3.37Å; C138-F141 PolarHBondContact O-N 3.28Å; L139-F141 PolarHBondContact O-N 3.41Å; F141-L143 HydrophobicContact CB-CD1 4.39Å; F141-L143 HydrophobicContact CB-CG 4.34Å; F141-L143 PolarHBondContact O-N 3.45Å; F141-L143 VanDerWaalsContact O-N 3.1Å
142A52.4Low55.2Low95 Ų9580.6 Ų80.679%0.78543%0.433SS*.THydrogen-bonded Turntrans56.523.9179.600000114.8L139L139-A142 PolarHBondContact O-N 2.82Å
143L52.1Low55.7Low67 Ų6784.1 Ų84.135%0.35144%0.442SS..  trans-71.7140.2176.6-69.5168.9000110C138 F141 L145 L147 V148C138-L143 HydrophobicContact CB-CD1 4.29Å; F141-L143 HydrophobicContact CB-CD1 4.39Å; F141-L143 HydrophobicContact CB-CG 4.34Å; F141-L143 PolarHBondContact O-N 3.45Å; F141-L143 VanDerWaalsContact O-N 3.1Å; L143-L145 PolarHBondContact O-N 3.37Å; L143-L147 HydrophobicContact CB-CD2 4.39Å; L143-L147 HydrophobicContact CD1-CD2 4.39Å; L143-L147 HydrophobicContact CD2-CD2 3.92Å; L143-L147 HydrophobicContact CG-CD2 4.47Å; L143-V148 HydrophobicContact CB-CG2 3.67Å
144P62.8Low56.4Low83 Ų8381 Ų8154%0.53943%0.432SS..  trans-59.8132-179.921.9-30.1000109.8K146 L147 V148P144-K146 PolarHBondContact O-N 2.89Å; P144-L147 HydrophobicContact CG-CB 3.92Å; P144-L147 WeakPolarHBondContact O-CA 3.31Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.34Å; P144-V148 PolarHBondContact O-N 3.18Å
145L56.9Low57Low110 Ų11076.6 Ų76.658%0.57642%0.42SS*.Hα-helixtrans-46.1-36.4-177.1-122.381.3000113.3L139 L143 L147 V148 V149L139-L145 HydrophobicContact CD2-CD1 3.72Å; L139-L145 HydrophobicContact CG-CD1 4.39Å; L143-L145 PolarHBondContact O-N 3.37Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L145-L147 PolarHBondContact O-N 3.41Å; L145-V148 PolarHBondContact O-N 2.81Å; L145-V149 WeakPolarHBondContact O-CB 3.24Å; L145-V149 VanDerWaalsContact O-CG2 3.27Å; L145-V149 WeakPolarHBondContact O-CG2 3.4Å; L145-V149 PolarHBondContact O-N 2.93Å
146K62.3Low57.4Low188 Ų18879.3 Ų79.382%0.81743%0.434SS*.Hα-helixtrans-60.2-41.9176.8-68-174.5177-179.20112.9P144 A150P144-K146 PolarHBondContact O-N 2.89Å; K146-A150 VanDerWaalsContact O-CB 3.3Å; K146-A150 WeakPolarHBondContact O-CB 2.92Å; K146-A150 PolarHBondContact O-N 2.83Å
147L60.7Low57.8Low73 Ų7376.9 Ų76.938%0.38242%0.419SS..Hα-helixtrans-72.3-41179.3-165.7108000110.4L143 P144 L145 A150 F151L143-L147 HydrophobicContact CB-CD2 4.39Å; L143-L147 HydrophobicContact CD1-CD2 4.39Å; L143-L147 HydrophobicContact CD2-CD2 3.92Å; L143-L147 HydrophobicContact CG-CD2 4.47Å; P144-L147 HydrophobicContact CG-CB 3.92Å; P144-L147 WeakPolarHBondContact O-CA 3.31Å; P144-L147 WeakPolarHBondContact O-CB 3.45Å; P144-L147 PolarHBondContact O-N 3.34Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L145-L147 PolarHBondContact O-N 3.41Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.8Å; L147-F151 HydrophobicContact CD1-CE2 4.39Å; L147-F151 HydrophobicContact CD2-CD2 3.86Å; L147-F151 HydrophobicContact CD2-CE2 3.65Å; L147-F151 HydrophobicContact CG-CD2 3.84Å; L147-F151 HydrophobicContact CG-CE2 3.77Å; L147-F151 VanDerWaalsContact O-CD2 3.28Å; L147-F151 WeakPolarHBondContact O-CD2 3.19Å; L147-F151 PolarHBondContact O-N 2.79Å
148V57.2Low58.3Low3 Ų378 Ų782%0.01843%0.426CS..Hα-helixtrans-63.1-46.5177.4178.70000111.9I135 C138 L143 P144 L145 A150 F151 G152I135-V148 HydrophobicContact CB-CG1 3.98Å; I135-V148 HydrophobicContact CD1-CG1 4.4Å; I135-V148 HydrophobicContact CG1-CG1 3.88Å; I135-V148 HydrophobicContact CG2-CG1 3.87Å; C138-V148 HydrophobicContact CB-CB 3.99Å; C138-V148 HydrophobicContact CB-CG1 3.42Å; C138-V148 VanDerWaalsContact CB-CG1 3.42Å; C138-V148 HydrophobicContact CB-CG2 3.45Å; C138-V148 VanDerWaalsContact CB-CG2 3.45Å; L143-V148 HydrophobicContact CB-CG2 3.67Å; P144-V148 PolarHBondContact O-N 3.18Å; L145-V148 PolarHBondContact O-N 2.81Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 2.84Å; V148-F151 PolarHBondContact O-N 3.3Å; V148-G152 PolarHBondContact O-N 2.86Å
149V56.9Low59Low31 Ų3178.8 Ų78.819%0.18844%0.438CS..Hα-helixtrans-64.4-36.3174.8171.50000111P129 I135 L145 R153P129-V149 HydrophobicContact CB-CG1 4.06Å; P129-V149 HydrophobicContact CG-CG1 3.8Å; P129-V149 HydrophobicContact CG-CG2 4.37Å; I135-V149 HydrophobicContact CD1-CG2 4.07Å; L145-V149 WeakPolarHBondContact O-CB 3.24Å; L145-V149 VanDerWaalsContact O-CG2 3.27Å; L145-V149 WeakPolarHBondContact O-CG2 3.4Å; L145-V149 PolarHBondContact O-N 2.93Å; V149-R153 WeakPolarHBondContact O-CB 3.47Å; V149-R153 WeakPolarHBondContact O-CG 3.3Å; V149-R153 PolarHBondContact O-N 3.02Å
150A62.7Low59.4Low43 Ų4376.2 Ų76.236%0.35543%0.429SS..Hα-helixtrans-64.7-45.4173.800000111.7K146 L147 V148 R153 I154K146-A150 VanDerWaalsContact O-CB 3.3Å; K146-A150 WeakPolarHBondContact O-CB 2.92Å; K146-A150 PolarHBondContact O-N 2.83Å; L147-A150 WeakPolarHBondContact O-CB 3.36Å; L147-A150 PolarHBondContact O-N 2.8Å; V148-A150 VanDerWaalsContact C-N 3.3Å; V148-A150 PolarHBondContact O-N 2.84Å; A150-R153 PolarHBondContact O-N 3.03Å; A150-I154 WeakPolarHBondContact O-CD1 3.29Å; A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 2.9Å
151F61.6Low59.8Low119 Ų11973.2 Ų73.252%0.52241%0.406SS..Hα-helixtrans-64.2-43.7176.6-90.2-72000112.6L147 V148 R153 I154 A155L147-F151 HydrophobicContact CD1-CE2 4.39Å; L147-F151 HydrophobicContact CD2-CD2 3.86Å; L147-F151 HydrophobicContact CD2-CE2 3.65Å; L147-F151 HydrophobicContact CG-CD2 3.84Å; L147-F151 HydrophobicContact CG-CE2 3.77Å; L147-F151 VanDerWaalsContact O-CD2 3.28Å; L147-F151 WeakPolarHBondContact O-CD2 3.19Å; L147-F151 PolarHBondContact O-N 2.79Å; V148-F151 PolarHBondContact O-N 3.3Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 3.31Å; F151-I154 PolarHBondContact O-N 3.48Å; F151-A155 WeakPolarHBondContact O-CB 3.48Å; F151-A155 PolarHBondContact O-N 2.83Å
152G59.8Low60.3Low4 Ų472.3 Ų72.34%0.04140%0.402CS..Hα-helixtrans-59.2-44.5174.800000111.7V148 I154 A155 D156V148-G152 PolarHBondContact O-N 2.86Å; G152-I154 PolarHBondContact O-N 2.74Å; G152-A155 PolarHBondContact O-N 3.38Å; G152-D156 PolarHBondContact O-N 2.92Å
153R60.2Low60.9Low105 Ų10569.5 Ų69.540%0.39638%0.379SS..Hα-helixtrans-63.9-39.1175.6-74.2175.2179.4-1791.4113.2V149 A150 F151 F157V149-R153 WeakPolarHBondContact O-CB 3.47Å; V149-R153 WeakPolarHBondContact O-CG 3.3Å; V149-R153 PolarHBondContact O-N 3.02Å; A150-R153 PolarHBondContact O-N 3.03Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-R153 PolarHBondContact O-N 3.31Å; R153-F157 WeakPolarHBondContact O-CB 3.48Å; R153-F157 PolarHBondContact O-N 2.96Å
154I65.8Low61.4Low97 Ų9768.6 Ų68.650%0.49738%0.375SS..Hα-helixtrans-66.7-41.1175-67.9161.9000109.9A150 F151 G152 F157 V158A150-I154 WeakPolarHBondContact O-CD1 3.29Å; A150-I154 WeakPolarHBondContact O-CG1 3.36Å; A150-I154 PolarHBondContact O-N 2.9Å; F151-I154 PolarHBondContact O-N 3.48Å; G152-I154 PolarHBondContact O-N 2.74Å; I154-F157 PolarHBondContact O-N 3.45Å; I154-V158 HydrophobicContact CG2-CG2 4.16Å; I154-V158 WeakPolarHBondContact O-CB 3.19Å; I154-V158 WeakPolarHBondContact O-CG2 2.98Å; I154-V158 PolarHBondContact O-N 3.11Å
155A62.5Low61.5Low37 Ų3767 Ų6731%0.30637%0.365SS..Hα-helixtrans-66.8-47.2179.900000112.2F151 G152 F157 V158 G159F151-A155 WeakPolarHBondContact O-CB 3.48Å; F151-A155 PolarHBondContact O-N 2.83Å; G152-A155 PolarHBondContact O-N 3.38Å; A155-F157 PolarHBondContact O-N 3.12Å; A155-V158 PolarHBondContact O-N 3.49Å; A155-G159 PolarHBondContact O-N 3.4Å
156D59.4Low62.2Low71 Ų7164.1 Ų64.138%0.3835%0.354SS..Hα-helixtrans-58.9-39.2174-74.5-17.1000111G152 G159 A160G152-D156 PolarHBondContact O-N 2.92Å; D156-G159 PolarHBondContact O-N 3.03Å; D156-A160 WeakPolarHBondContact O-CB 3.27Å; D156-A160 PolarHBondContact O-N 3.39Å
157F58.2Low62.3Low56 Ų5658 Ų5825%0.24633%0.327CS..Hα-helixtrans-68.2-46.5177-179.2-96.3000112.3L120 R153 I154 A155 G159 A160 V161L120-F157 HydrophobicContact CB-CE2 4.46Å; L120-F157 HydrophobicContact CB-CZ 4.04Å; L120-F157 HydrophobicContact CD1-CD1 4.41Å; L120-F157 HydrophobicContact CD1-CE1 3.37Å; L120-F157 HydrophobicContact CD1-CE2 4.43Å; L120-F157 HydrophobicContact CD1-CZ 3.4Å; L120-F157 HydrophobicContact CG-CE1 3.7Å; L120-F157 HydrophobicContact CG-CE2 3.97Å; L120-F157 HydrophobicContact CG-CZ 3.39Å; R153-F157 WeakPolarHBondContact O-CB 3.48Å; R153-F157 PolarHBondContact O-N 2.96Å; I154-F157 PolarHBondContact O-N 3.45Å; A155-F157 PolarHBondContact O-N 3.12Å; F157-G159 PolarHBondContact O-N 3.38Å; F157-A160 PolarHBondContact O-N 3.45Å; F157-V161 HydrophobicContact CD1-CG2 4.01Å; F157-V161 HydrophobicContact CD2-CG2 4.4Å; F157-V161 HydrophobicContact CE1-CG2 3.48Å; F157-V161 VanDerWaalsContact CE1-CG2 3.48Å; F157-V161 HydrophobicContact CE2-CG2 3.92Å; F157-V161 HydrophobicContact CG-CG2 4.43Å; F157-V161 HydrophobicContact CZ-CG2 3.41Å; F157-V161 VanDerWaalsContact CZ-CG2 3.41Å; F157-V161 WeakPolarHBondContact O-CB 3.15Å; F157-V161 WeakPolarHBondContact O-CG2 3.07Å; F157-V161 PolarHBondContact O-N 2.99Å
158V64.7Low62.5Low88 Ų8855.5 Ų55.553%0.53331%0.314SS..Hα-helixtrans-60.6-39.6175.1169.70000109.9I154 A155 F162I154-V158 HydrophobicContact CG2-CG2 4.16Å; I154-V158 WeakPolarHBondContact O-CB 3.19Å; I154-V158 WeakPolarHBondContact O-CG2 2.98Å; I154-V158 PolarHBondContact O-N 3.11Å; A155-V158 PolarHBondContact O-N 3.49Å; V158-F162 WeakPolarHBondContact O-CB 3.4Å; V158-F162 PolarHBondContact O-N 2.88Å
159G62.7Low63.1Low42 Ų4260.5 Ų60.543%0.43334%0.335SS..Hα-helixtrans-62.6-45174.100000112.8A155 D156 F157 F162 A163A155-G159 PolarHBondContact O-N 3.4Å; D156-G159 PolarHBondContact O-N 3.03Å; F157-G159 PolarHBondContact O-N 3.38Å; G159-F162 PolarHBondContact O-N 2.73Å; G159-A163 WeakPolarHBondContact O-CB 3.42Å; G159-A163 PolarHBondContact O-N 2.83Å
160A59.8Low63.7Low30 Ų3063 Ų6325%0.24835%0.351CS..Hα-helixtrans-66-45.617700000112.3D156 F157 F162 A163 D164D156-A160 WeakPolarHBondContact O-CB 3.27Å; D156-A160 PolarHBondContact O-N 3.39Å; F157-A160 PolarHBondContact O-N 3.45Å; A160-F162 VanDerWaalsContact C-N 3.32Å; A160-F162 PolarHBondContact O-N 2.82Å; A160-A163 WeakPolarHBondContact O-CB 3.36Å; A160-A163 PolarHBondContact O-N 3.5Å; A160-D164 VanDerWaalsContact O-CG 3.3Å; A160-D164 PolarHBondContact O-N 3.18Å
161V64Low63.9Low37 Ų3761 Ų6122%0.22433%0.334CS..Hα-helixtrans-63.4-40.5175.6172.60000110.7F157 A163 D164 C165F157-V161 HydrophobicContact CD1-CG2 4.01Å; F157-V161 HydrophobicContact CD2-CG2 4.4Å; F157-V161 HydrophobicContact CE1-CG2 3.48Å; F157-V161 VanDerWaalsContact CE1-CG2 3.48Å; F157-V161 HydrophobicContact CE2-CG2 3.92Å; F157-V161 HydrophobicContact CG-CG2 4.43Å; F157-V161 HydrophobicContact CZ-CG2 3.41Å; F157-V161 VanDerWaalsContact CZ-CG2 3.41Å; F157-V161 WeakPolarHBondContact O-CB 3.15Å; F157-V161 WeakPolarHBondContact O-CG2 3.07Å; F157-V161 PolarHBondContact O-N 2.99Å; V161-A163 VanDerWaalsContact C-N 3.35Å; V161-D164 PolarHBondContact O-N 2.95Å; V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.41Å; V161-C165 PolarHBondContact O-N 2.86Å; V161-C165 PolarHBondContact O-SG 3.08Å
162F64.5Low64.4Low140 Ų14057.6 Ų57.661%0.61432%0.319SS*.Hα-helixtrans-62.7-43.2175.4-172.9-96.8000111.1V158 G159 A160 C165 C166V158-F162 WeakPolarHBondContact O-CB 3.4Å; V158-F162 PolarHBondContact O-N 2.88Å; G159-F162 PolarHBondContact O-N 2.73Å; A160-F162 VanDerWaalsContact C-N 3.32Å; A160-F162 PolarHBondContact O-N 2.82Å; F162-C165 PolarHBondContact O-N 3.34Å; F162-C166 WeakPolarHBondContact CE1-SG 3.42Å; F162-C166 WeakPolarHBondContact O-CB 3.39Å; F162-C166 PolarHBondContact O-N 3.27Å; F162-C166 PolarHBondContact O-SG 3.09Å
163A63.2Low65Low36 Ų3660.7 Ų60.730%0.29833%0.334SS..Hα-helixtrans-60.7-47.8174.300000111.7G159 A160 V161 C165 C166 F167G159-A163 WeakPolarHBondContact O-CB 3.42Å; G159-A163 PolarHBondContact O-N 2.83Å; A160-A163 WeakPolarHBondContact O-CB 3.36Å; A160-A163 PolarHBondContact O-N 3.5Å; V161-A163 VanDerWaalsContact C-N 3.35Å; A163-C165 VanDerWaalsContact C-N 3.33Å; A163-C165 PolarHBondContact O-N 2.87Å; A163-C166 WeakPolarHBondContact O-CB 3.33Å; A163-C166 PolarHBondContact O-N 3.31Å; A163-C166 VanDerWaalsContact O-N 3.1Å; A163-F167 WeakPolarHBondContact O-CD2 3.42Å; A163-F167 PolarHBondContact O-N 3.39Å
164D63.1Low65.7Low48 Ų4861.1 Ų61.126%0.25734%0.344SS..Hα-helixtrans-61.2-41.3177.7-68.3-17.9000111.5L87 A160 V161 F167 M168L87-D164 HydrophobicContact CD1-CB 3.88Å; L87-D164 WeakPolarHBondContact CD1-OD1 3.27Å; A160-D164 VanDerWaalsContact O-CG 3.3Å; A160-D164 PolarHBondContact O-N 3.18Å; V161-D164 PolarHBondContact O-N 2.95Å; D164-F167 PolarHBondContact O-N 3.48Å; D164-M168 WeakPolarHBondContact O-CG 3.44Å; D164-M168 PolarHBondContact O-N 3.37Å
165C66Low66.1Low48 Ų4857.4 Ų57.432%0.32433%0.326SS..Hα-helixtrans-63.4-40.8172.7-73.50000112.2V161 F162 A163 M168 F169V161-C165 VanDerWaalsContact O-CB 3.3Å; V161-C165 WeakPolarHBondContact O-CB 3.41Å; V161-C165 PolarHBondContact O-N 2.86Å; V161-C165 PolarHBondContact O-SG 3.08Å; F162-C165 PolarHBondContact O-N 3.34Å; A163-C165 VanDerWaalsContact C-N 3.33Å; A163-C165 PolarHBondContact O-N 2.87Å; C165-M168 PolarHBondContact O-N 3.08Å; C165-F169 WeakPolarHBondContact O-CB 3.49Å; C165-F169 PolarHBondContact O-N 3.11Å
166C70.1Confident66.7Low51 Ų5158.7 Ų58.735%0.34533%0.325SS..Hα-helixtrans-63.4-40.8175-74.30000111.8F162 A163 F169 T170F162-C166 WeakPolarHBondContact CE1-SG 3.42Å; F162-C166 WeakPolarHBondContact O-CB 3.39Å; F162-C166 PolarHBondContact O-N 3.27Å; F162-C166 PolarHBondContact O-SG 3.09Å; A163-C166 WeakPolarHBondContact O-CB 3.33Å; A163-C166 PolarHBondContact O-N 3.31Å; A163-C166 VanDerWaalsContact O-N 3.1Å; C166-F169 PolarHBondContact O-N 2.95Å; C166-T170 WeakPolarHBondContact O-CB 3.33Å; C166-T170 PolarHBondContact O-N 3.16Å; C166-T170 PolarHBondContact O-OG1 3.16Å
167F64.8Low67.4Low58 Ų5860.2 Ų60.225%0.25433%0.333SS..Hα-helixtrans-64.4-45.7175-75.7-66.8000112E84 L87 A163 D164 F169 T170 G171E84-F167 HydrophobicContact CG-CE2 4.46Å; E84-F167 HydrophobicContact CG-CZ 4.28Å; L87-F167 HydrophobicContact CB-CB 4.3Å; A163-F167 WeakPolarHBondContact O-CD2 3.42Å; A163-F167 PolarHBondContact O-N 3.39Å; D164-F167 PolarHBondContact O-N 3.48Å; F167-F169 VanDerWaalsContact C-N 3.34Å; F167-F169 PolarHBondContact O-N 3.1Å; F167-T170 WeakPolarHBondContact O-CB 3.38Å; F167-T170 PolarHBondContact O-N 3.11Å; F167-G171 PolarHBondContact O-N 3.38Å
168M64.6Low68.3Low22 Ų2264 Ų6411%0.10835%0.35CS..Hα-helixtrans-60-44174-74.1-171.5-73.400111.9L87 L90 I112 D164 C165 T170 G171 F172L87-M168 HydrophobicContact CB-CG 4.26Å; L87-M168 HydrophobicContact CD2-CG 4.19Å; L87-M168 HydrophobicContact CD2-SD 4.36Å; L90-M168 HydrophobicContact CD2-SD 3.99Å; I112-M168 HydrophobicContact CG2-CE 3.87Å; D164-M168 WeakPolarHBondContact O-CG 3.44Å; D164-M168 PolarHBondContact O-N 3.37Å; C165-M168 PolarHBondContact O-N 3.08Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 2.74Å; M168-G171 PolarHBondContact O-N 3Å; M168-F172 PolarHBondContact O-N 3.4Å
169F70.3Confident68.8Low108 Ų10862.6 Ų62.647%0.47434%0.339SS..Hα-helixtrans-66.1-35.5178.4-169.7-109.1000112C165 C166 F167 F172 L173C165-F169 WeakPolarHBondContact O-CB 3.49Å; C165-F169 PolarHBondContact O-N 3.11Å; C166-F169 PolarHBondContact O-N 2.95Å; F167-F169 VanDerWaalsContact C-N 3.34Å; F167-F169 PolarHBondContact O-N 3.1Å; F169-F172 PolarHBondContact O-N 3.36Å; F169-L173 HydrophobicContact CD1-CD1 3.69Å; F169-L173 HydrophobicContact CD1-CG 4.05Å; F169-L173 HydrophobicContact CE1-CD1 3.32Å; F169-L173 HydrophobicContact CE1-CD2 4.26Å; F169-L173 HydrophobicContact CE1-CG 3.74Å; F169-L173 HydrophobicContact CZ-CD1 4.02Å; F169-L173 HydrophobicContact CZ-CD2 4.11Å; F169-L173 HydrophobicContact CZ-CG 4Å; F169-L173 WeakPolarHBondContact O-CB 3.33Å; F169-L173 WeakPolarHBondContact O-CG 3.33Å; F169-L173 PolarHBondContact O-N 2.71Å
170T69.2Low69.4Low83 Ų8364.7 Ų64.751%0.50934%0.339SS..Hα-helixtrans-62.8-45.8174.1-56.70000110.7C166 F167 M168 F172 L173 L174C166-T170 WeakPolarHBondContact O-CB 3.33Å; C166-T170 PolarHBondContact O-N 3.16Å; C166-T170 PolarHBondContact O-OG1 3.16Å; F167-T170 WeakPolarHBondContact O-CB 3.38Å; F167-T170 PolarHBondContact O-N 3.11Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 2.74Å; T170-F172 VanDerWaalsContact C-N 3.33Å; T170-F172 PolarHBondContact O-N 3.25Å; T170-L173 PolarHBondContact O-N 2.77Å; T170-L174 VanDerWaalsContact O-CB 3.27Å; T170-L174 WeakPolarHBondContact O-CB 3.35Å; T170-L174 PolarHBondContact O-N 3.41Å
171G67.2Low70.3Confident0 Ų068.4 Ų68.40%036%0.363CS..Hα-helixtrans-61.1-39.517400000113.1F167 M168 T175F167-G171 PolarHBondContact O-N 3.38Å; M168-G171 PolarHBondContact O-N 3Å; G171-T175 PolarHBondContact O-N 3.3Å; G171-T175 VanDerWaalsContact O-N 3.1Å; G171-T175 PolarHBondContact O-OG1 3.15Å
172F71.9Confident70.7Confident48 Ų4872.5 Ų72.521%0.21138%0.382CS..Hα-helixtrans-66.4-43.3176-176.6-88.7000112.9R95 M168 F169 T170 T175 H176R95-F172 HydrophobicContact CB-CD2 3.68Å; R95-F172 HydrophobicContact CB-CE2 4.06Å; R95-F172 HydrophobicContact CB-CG 4.41Å; R95-F172 HydrophobicContact CG-CD2 4.23Å; R95-F172 HydrophobicContact CG-CE2 4.3Å; M168-F172 PolarHBondContact O-N 3.4Å; F169-F172 PolarHBondContact O-N 3.36Å; T170-F172 VanDerWaalsContact C-N 3.33Å; T170-F172 PolarHBondContact O-N 3.25Å; F172-T175 WeakPolarHBondContact CA-OG1 3.47Å; F172-T175 PolarHBondContact O-OG1 2.94Å; F172-H176 WeakPolarHBondContact O-CB 3.46Å; F172-H176 PolarHBondContact O-N 3.4Å
173L72.2Confident70.5Confident70 Ų7076 Ų7637%0.36640%0.401SS..Hα-helixtrans-67.4-42.6176.2-78.7-178.8000111.7F169 T170 T175 H176 L177F169-L173 HydrophobicContact CD1-CD1 3.69Å; F169-L173 HydrophobicContact CD1-CG 4.05Å; F169-L173 HydrophobicContact CE1-CD1 3.32Å; F169-L173 HydrophobicContact CE1-CD2 4.26Å; F169-L173 HydrophobicContact CE1-CG 3.74Å; F169-L173 HydrophobicContact CZ-CD1 4.02Å; F169-L173 HydrophobicContact CZ-CD2 4.11Å; F169-L173 HydrophobicContact CZ-CG 4Å; F169-L173 WeakPolarHBondContact O-CB 3.33Å; F169-L173 WeakPolarHBondContact O-CG 3.33Å; F169-L173 PolarHBondContact O-N 2.71Å; T170-L173 PolarHBondContact O-N 2.77Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 3.16Å; L173-H176 PolarHBondContact O-N 3.01Å; L173-L177 WeakPolarHBondContact O-CB 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.44Å
174L75.8Confident70.8Confident113 Ų11378 Ų7859%0.59241%0.406SS*.Hα-helixtrans-58.9-46178.5-17079.5000110.8T170 L177 F178T170-L174 VanDerWaalsContact O-CB 3.27Å; T170-L174 WeakPolarHBondContact O-CB 3.35Å; T170-L174 PolarHBondContact O-N 3.41Å; L174-L177 PolarHBondContact O-N 2.96Å; L174-F178 VanDerWaalsContact O-CB 3.31Å; L174-F178 WeakPolarHBondContact O-CB 3.43Å; L174-F178 PolarHBondContact O-N 3.21Å
175T74.4Confident71.3Confident20 Ų2079.6 Ų79.612%0.12341%0.414CS..Hα-helixtrans-68.5-36.9176.341.60000112.9V92 R95 G171 F172 L173 F178 L179V92-T175 HydrophobicContact CB-CG2 3.88Å; V92-T175 HydrophobicContact CG1-CG2 3.73Å; V92-T175 HydrophobicContact CG2-CG2 3.62Å; R95-T175 WeakPolarHBondContact CB-OG1 3.39Å; R95-T175 VanDerWaalsContact CG-OG1 3.27Å; R95-T175 WeakPolarHBondContact CG-OG1 3.48Å; G171-T175 PolarHBondContact O-N 3.3Å; G171-T175 VanDerWaalsContact O-N 3.1Å; G171-T175 PolarHBondContact O-OG1 3.15Å; F172-T175 WeakPolarHBondContact CA-OG1 3.47Å; F172-T175 PolarHBondContact O-OG1 2.94Å; L173-T175 VanDerWaalsContact C-N 3.32Å; L173-T175 PolarHBondContact O-N 3.16Å; T175-F178 PolarHBondContact O-N 3.43Å; T175-L179 WeakPolarHBondContact O-CG 3.22Å; T175-L179 PolarHBondContact O-N 2.95Å
176H75.1Confident71.5Confident64 Ų6481.3 Ų81.330%0.29642%0.419SS..Hα-helixtrans-63.2-46.5174.5-174.732.6000112.2R95 F172 L173 L179 L180R95-H176 PolarHBondContact NH2-CE1 3.21Å; R95-H176 PolarHBondContact NH2-ND1 2.79Å; F172-H176 WeakPolarHBondContact O-CB 3.46Å; F172-H176 PolarHBondContact O-N 3.4Å; L173-H176 PolarHBondContact O-N 3.01Å; H176-L179 PolarHBondContact O-N 3.09Å; H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 3.01Å
177L74Confident71.6Confident103 Ų10383.1 Ų83.154%0.53942%0.423SS..Hα-helixtrans-62.6-42.9175.7-75168.8000111.4L173 L174 L179 L180 C181L173-L177 WeakPolarHBondContact O-CB 3.32Å; L173-L177 WeakPolarHBondContact O-CG 3.35Å; L173-L177 PolarHBondContact O-N 3.44Å; L174-L177 PolarHBondContact O-N 2.96Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.32Å; L177-L180 PolarHBondContact O-N 2.85Å; L177-C181 PolarHBondContact O-N 3.15Å; L177-C181 PolarHBondContact O-SG 2.98Å; L177-C181 VanDerWaalsContact O-SG 3.36Å
178F77.3Confident72.1Confident135 Ų13584.7 Ų84.759%0.59243%0.434SS*.Hα-helixtrans-59.8-42.7177.3-175.9-101000112.3L174 T175 C181 L182L174-F178 VanDerWaalsContact O-CB 3.31Å; L174-F178 WeakPolarHBondContact O-CB 3.43Å; L174-F178 PolarHBondContact O-N 3.21Å; T175-F178 PolarHBondContact O-N 3.43Å; F178-C181 PolarHBondContact O-N 3.45Å; F178-L182 HydrophobicContact CD1-CD1 3.83Å; F178-L182 HydrophobicContact CE1-CD1 3.38Å; F178-L182 HydrophobicContact CE1-CG 4.44Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 PolarHBondContact O-N 3.32Å
179L74.9Confident72.6Confident58 Ų5888.9 Ų88.930%0.30446%0.455SS..Hα-helixtrans-68.6-37.3176.4-71.7167000112.7I99 T175 H176 L177 C181 L182 Q183I99-L179 HydrophobicContact CD1-CD1 3.34Å; I99-L179 HydrophobicContact CG1-CD1 4.43Å; T175-L179 WeakPolarHBondContact O-CG 3.22Å; T175-L179 PolarHBondContact O-N 2.95Å; H176-L179 PolarHBondContact O-N 3.09Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.32Å; L179-C181 VanDerWaalsContact C-N 3.31Å; L179-C181 PolarHBondContact O-N 3.13Å; L179-L182 PolarHBondContact O-N 2.9Å; L179-Q183 PolarHBondContact O-N 3.22Å
180L75.8Confident72.7Confident86 Ų8687.5 Ų87.545%0.4545%0.454SS..Hα-helixtrans-64.2-35.6174.4-79167.3000112.2H176 L177 L182H176-L180 WeakPolarHBondContact O-CG 3.42Å; H176-L180 PolarHBondContact O-N 3.01Å; L177-L180 PolarHBondContact O-N 2.85Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 PolarHBondContact O-N 3.21Å
181C76.9Confident73Confident109 Ų10987.8 Ų87.874%0.73645%0.45SS*.Hα-helixtrans-72.9-16.4176.1-70.10000114L177 F178 L179L177-C181 PolarHBondContact O-N 3.15Å; L177-C181 PolarHBondContact O-SG 2.98Å; L177-C181 VanDerWaalsContact O-SG 3.36Å; F178-C181 PolarHBondContact O-N 3.45Å; L179-C181 VanDerWaalsContact C-N 3.31Å; L179-C181 PolarHBondContact O-N 3.13Å
182L73.1Confident73.5Confident122 Ų12295.2 Ų95.264%0.63949%0.487SS*.THydrogen-bonded Turntrans-91.5-11.2178.2-79.6168.8000113.4F178 L179 L180F178-L182 HydrophobicContact CD1-CD1 3.83Å; F178-L182 HydrophobicContact CE1-CD1 3.38Å; F178-L182 HydrophobicContact CE1-CG 4.44Å; F178-L182 HydrophobicContact CZ-CD1 3.87Å; F178-L182 PolarHBondContact O-N 3.32Å; L179-L182 PolarHBondContact O-N 2.9Å; L180-L182 VanDerWaalsContact C-N 3.27Å; L180-L182 PolarHBondContact O-N 3.21Å
183Q59.9Low73.6Confident214 Ų21499.5 Ų99.5100%151%0.513SS*.  trans-92.30175.2-69.3-173.2-60.900111.2L179L179-Q183 PolarHBondContact O-N 3.22Å

Retrieved 183 of 183 residues in 86 ms (Link to these results)

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