A0A3Q0KTU6_SCHMA Loading...

Bestrophin homolog

Forms chloride channels.

AlphaFold DB , UniProt , Accession A0A3Q0KTU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 570 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
1M50.1Low74.2Confident161 Ų16188.7 Ų88.779%0.79349%0.487SS*.  0109.60176.8166-17700106.3K445M1-K445 PolarHBondContact SD-NZ 2.8Å
2S64.4Low73.7Confident53 Ų5383.9 Ų83.937%0.37147%0.473SS..  trans-48.7141.8166.7670000110.9D438 Q442S2-D438 WeakPolarHBondContact CA-O 3.43Å; S2-D438 WeakPolarHBondContact CB-O 3.26Å; S2-Q442 PolarHBondContact O-NE2 3.01Å; S2-Q442 PolarHBondContact OG-NE2 3.35Å
3I67.5Low73.8Confident44 Ų4491.8 Ų91.823%0.22650%0.504CS..  trans-98.3115.9-157.7-66.5169.5000107.8Y5 K26I3-Y5 WeakPolarHBondContact O-CD1 3.48Å; I3-Y5 PolarHBondContact O-N 2.9Å; I3-K26 HydrophobicContact CD1-CB 3.37Å; I3-K26 WeakPolarHBondContact CD1-O 3.27Å
4S76.8Confident74.2Confident73 Ų7388.8 Ų88.851%0.5150%0.504SS..  trans-71128.3172.6-170.90000109.9R24S4-R24 PolarHBondContact O-NH1 2.95Å; S4-R24 PolarHBondContact O-NH2 3.46Å
5Y79.9Confident74.7Confident120 Ų12091.3 Ų91.347%0.47151%0.513SS..  trans-132.72.117463.8-93.8000111.8I3 D8 I9I3-Y5 WeakPolarHBondContact O-CD1 3.48Å; I3-Y5 PolarHBondContact O-N 2.9Å; Y5-D8 WeakPolarHBondContact O-CB 3.47Å; Y5-D8 PolarHBondContact O-N 3.47Å; Y5-I9 HydrophobicContact CD2-CD1 3.42Å; Y5-I9 VanDerWaalsContact CD2-CD1 3.42Å; Y5-I9 HydrophobicContact CD2-CG1 4.19Å; Y5-I9 HydrophobicContact CE2-CD1 3.5Å; Y5-I9 VanDerWaalsContact CE2-CD1 3.5Å; Y5-I9 PolarHBondContact O-N 3.17Å
6V82.5Confident75.1Confident90 Ų9096.2 Ų96.255%0.54553%0.528SS..Hα-helixtrans-66.2-42.8-176.1177.90000110.5D8 I9 S10V6-D8 VanDerWaalsContact C-N 3.26Å; V6-D8 PolarHBondContact O-N 3.21Å; V6-I9 WeakPolarHBondContact O-CA 3.31Å; V6-I9 WeakPolarHBondContact O-CB 3.35Å; V6-I9 PolarHBondContact O-N 3.29Å; V6-S10 PolarHBondContact O-N 2.85Å; V6-S10 PolarHBondContact O-OG 3Å
7D80.8Confident75.5Confident100 Ų10091.9 Ų91.954%0.53550%0.504SS..Hα-helixtrans-62-36.5177.4-51.9-35.7000111.4I9 S10 D11D7-I9 PolarHBondContact O-N 2.98Å; D7-S10 WeakPolarHBondContact CA-OG 3.44Å; D7-S10 PolarHBondContact O-N 2.9Å; D7-S10 PolarHBondContact O-OG 3.35Å; D7-D11 WeakPolarHBondContact O-CB 3.36Å; D7-D11 VanDerWaalsContact O-CG 3.26Å; D7-D11 PolarHBondContact O-N 3.07Å
8D77.2Confident75.9Confident39 Ų3994.2 Ų94.221%0.20951%0.508CS..Hα-helixtrans-66.3-27.1175.4-67.1-44.4000112.8Y5 V6 K20 R24Y5-D8 WeakPolarHBondContact O-CB 3.47Å; Y5-D8 PolarHBondContact O-N 3.47Å; V6-D8 VanDerWaalsContact C-N 3.26Å; V6-D8 PolarHBondContact O-N 3.21Å; D8-K20 HydrophobicContact CB-CD 4.47Å; D8-K20 VanDerWaalsContact OD1-CE 3.28Å; D8-K20 WeakPolarHBondContact OD1-CE 3.43Å; D8-K20 IonicContact OD1-NZ 3.46Å; D8-K20 PolarHBondContact OD1-NZ 3.41Å; D8-R24 IonicContact OD2-NH1 2.8Å; D8-R24 PolarHBondContact OD2-NH1 2.97Å
9I77.4Confident76.3Confident80 Ų8093.6 Ų93.641%0.4151%0.508SS..Hα-helixtrans-79.8-41.8174.8-68.5171.7000110.4Y5 V6 D7 I17 I21Y5-I9 HydrophobicContact CD2-CD1 3.42Å; Y5-I9 VanDerWaalsContact CD2-CD1 3.42Å; Y5-I9 HydrophobicContact CD2-CG1 4.19Å; Y5-I9 HydrophobicContact CE2-CD1 3.5Å; Y5-I9 VanDerWaalsContact CE2-CD1 3.5Å; Y5-I9 PolarHBondContact O-N 3.17Å; V6-I9 WeakPolarHBondContact O-CA 3.31Å; V6-I9 WeakPolarHBondContact O-CB 3.35Å; V6-I9 PolarHBondContact O-N 3.29Å; D7-I9 PolarHBondContact O-N 2.98Å; I9-I17 HydrophobicContact CG1-CG2 4.39Å; I9-I21 HydrophobicContact CD1-CD1 4.01Å; I9-I21 HydrophobicContact CG1-CD1 3.6Å
10S81.3Confident76.6Confident79 Ų7994.2 Ų94.255%0.55251%0.505SS*.Hα-helixtrans-71.3-36.3-177.456.40000113.1V6 D7 G12V6-S10 PolarHBondContact O-N 2.85Å; V6-S10 PolarHBondContact O-OG 3Å; D7-S10 WeakPolarHBondContact CA-OG 3.44Å; D7-S10 PolarHBondContact O-N 2.9Å; D7-S10 PolarHBondContact O-OG 3.35Å; S10-G12 VanDerWaalsContact C-N 3.34Å; S10-G12 PolarHBondContact O-N 3.3Å
11D78.5Confident77Confident137 Ų13792.3 Ų92.373%0.73350%0.495SS*.SBendtrans-76.4-21.4-174.7-73.2-7.3000113.6D7D7-D11 WeakPolarHBondContact O-CB 3.36Å; D7-D11 VanDerWaalsContact O-CG 3.26Å; D7-D11 PolarHBondContact O-N 3.07Å
12G67.5Low78.7Confident31 Ų3189.4 Ų89.432%0.3248%0.482SS..  trans-97.4156.5-170.300000114.2S10 I17S10-G12 VanDerWaalsContact C-N 3.34Å; S10-G12 PolarHBondContact O-N 3.3Å; G12-I17 WeakPolarHBondContact O-CD1 3.43Å
13Q75.5Confident79.7Confident187 Ų18796.9 Ų96.987%0.87450%0.502SS*.  trans-117.1127.5165-65.4-177.5-7.900109.9
14G80.1Confident80.5Confident49 Ų4998.8 Ų98.851%0.50551%0.506SS..SBendtrans79.8-156.6165.900000117.3F16 I17G14-F16 VanDerWaalsContact C-N 3.29Å; G14-F16 PolarHBondContact O-N 3.3Å; G14-I17 PolarHBondContact O-N 3.48Å
15I81.3Confident80.8Confident126 Ų126102.1 Ų102.165%0.64651%0.508SS*.Hα-helixtrans-64.7-25.9-163.2-159.1161.4000114.9I17 F18 V19I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.07Å; I15-F18 PolarHBondContact O-N 2.67Å; I15-V19 PolarHBondContact O-N 3.29Å
16F81.1Confident80.7Confident170 Ų170103.6 Ų103.675%0.74652%0.517SS*.Hα-helixtrans-64.4-29.2-179.7-70.5-71.1000112.9G14 V19 K20G14-F16 VanDerWaalsContact C-N 3.29Å; G14-F16 PolarHBondContact O-N 3.3Å; F16-V19 PolarHBondContact O-N 2.93Å; F16-K20 WeakPolarHBondContact O-CB 3.18Å; F16-K20 PolarHBondContact O-N 3.36Å
17I82Confident80.5Confident23 Ų23100.6 Ų100.612%0.11850%0.504CS..Hα-helixtrans-64.6-47.9174.2-59.2167.1000110.3I9 G12 G14 I15 V19 K20 I21I9-I17 HydrophobicContact CG1-CG2 4.39Å; G12-I17 WeakPolarHBondContact O-CD1 3.43Å; G14-I17 PolarHBondContact O-N 3.48Å; I15-I17 VanDerWaalsContact C-N 3.26Å; I15-I17 PolarHBondContact O-N 3.07Å; I17-V19 VanDerWaalsContact C-N 3.27Å; I17-V19 PolarHBondContact O-N 2.89Å; I17-K20 WeakPolarHBondContact O-CA 3.48Å; I17-K20 WeakPolarHBondContact O-CB 3.18Å; I17-K20 PolarHBondContact O-N 3.02Å; I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.1Å
18F82Confident80.9Confident134 Ų13496.7 Ų96.759%0.58849%0.485SS*.Hα-helixtrans-59.6-42.2179.6-62-59.7000110.7I15 K20 I21 L22I15-F18 PolarHBondContact O-N 2.67Å; F18-K20 PolarHBondContact O-N 3.38Å; F18-I21 PolarHBondContact O-N 2.9Å; F18-L22 VanDerWaalsContact O-CB 3.31Å; F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 3.49Å
19V83.1Confident81.4Confident83 Ų8397.8 Ų97.850%0.50349%0.49SS..Hα-helixtrans-62.7-42.6174.1178.50000111.3I15 F16 I17 I21 L22 R23I15-V19 PolarHBondContact O-N 3.29Å; F16-V19 PolarHBondContact O-N 2.93Å; I17-V19 VanDerWaalsContact C-N 3.27Å; I17-V19 PolarHBondContact O-N 2.89Å; V19-I21 PolarHBondContact O-N 3.32Å; V19-L22 PolarHBondContact O-N 2.9Å; V19-R23 VanDerWaalsContact O-CB 3.25Å; V19-R23 WeakPolarHBondContact O-CB 3.16Å; V19-R23 PolarHBondContact O-N 3.45Å
20K83.2Confident82Confident104 Ų10497.8 Ų97.845%0.45249%0.486SS..Hα-helixtrans-61-43.7177.6-171.8-178.5-179.3-173.50111.8D8 F16 I17 F18 R24D8-K20 HydrophobicContact CB-CD 4.47Å; D8-K20 VanDerWaalsContact OD1-CE 3.28Å; D8-K20 WeakPolarHBondContact OD1-CE 3.43Å; D8-K20 IonicContact OD1-NZ 3.46Å; D8-K20 PolarHBondContact OD1-NZ 3.41Å; F16-K20 WeakPolarHBondContact O-CB 3.18Å; F16-K20 PolarHBondContact O-N 3.36Å; I17-K20 WeakPolarHBondContact O-CA 3.48Å; I17-K20 WeakPolarHBondContact O-CB 3.18Å; I17-K20 PolarHBondContact O-N 3.02Å; F18-K20 PolarHBondContact O-N 3.38Å; K20-R24 PolarHBondContact O-N 2.91Å
21I85.4Confident82.4Confident56 Ų5698.2 Ų98.229%0.28748%0.477SS..Hα-helixtrans-67.1-49.4177.5-66.2169.6000110.6I9 I17 F18 V19 R23 R24I9-I21 HydrophobicContact CD1-CD1 4.01Å; I9-I21 HydrophobicContact CG1-CD1 3.6Å; I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.29Å; I17-I21 PolarHBondContact O-N 3.1Å; F18-I21 PolarHBondContact O-N 2.9Å; V19-I21 PolarHBondContact O-N 3.32Å; I21-R23 PolarHBondContact O-N 3.37Å; I21-R24 VanDerWaalsContact O-CB 3.24Å; I21-R24 WeakPolarHBondContact O-CB 3.28Å; I21-R24 PolarHBondContact O-N 3.49Å
22L85.6Confident82.9Confident99 Ų9994.8 Ų94.852%0.51846%0.459SS..Hα-helixtrans-63.5-29.8179.5-69.8173.1000112.3F18 V19 R24 Y30F18-L22 VanDerWaalsContact O-CB 3.31Å; F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 3.49Å; V19-L22 PolarHBondContact O-N 2.9Å; L22-R24 VanDerWaalsContact C-N 3.25Å; L22-R24 PolarHBondContact O-N 3.38Å; L22-Y30 WeakPolarHBondContact O-CE2 3.36Å
23R84.3Confident84.1Confident210 Ų21093.3 Ų93.379%0.79244%0.444SS*.THydrogen-bonded Turntrans-75.8-12.5176.6-164.5177.568.4171.51113.1V19 I21 W25V19-R23 VanDerWaalsContact O-CB 3.25Å; V19-R23 WeakPolarHBondContact O-CB 3.16Å; V19-R23 PolarHBondContact O-N 3.45Å; I21-R23 PolarHBondContact O-N 3.37Å; R23-W25 PolarHBondContact O-N 3.47Å
24R84.3Confident85Confident85 Ų8590.7 Ų90.732%0.32143%0.426SS..  trans-68.2132180-155.6166.1-167149.8-6.7109.2S4 D8 K20 I21 L22 S28S4-R24 PolarHBondContact O-NH1 2.95Å; S4-R24 PolarHBondContact O-NH2 3.46Å; D8-R24 IonicContact OD2-NH1 2.8Å; D8-R24 PolarHBondContact OD2-NH1 2.97Å; K20-R24 PolarHBondContact O-N 2.91Å; I21-R24 VanDerWaalsContact O-CB 3.24Å; I21-R24 WeakPolarHBondContact O-CB 3.28Å; I21-R24 PolarHBondContact O-N 3.49Å; L22-R24 VanDerWaalsContact C-N 3.25Å; L22-R24 PolarHBondContact O-N 3.38Å; R24-S28 WeakPolarHBondContact O-CB 3.5Å; R24-S28 PolarHBondContact O-OG 3.33Å
25W84Confident85.7Confident143 Ų14391.7 Ų91.754%0.54242%0.422SS..  trans-98.8-46.2-177.6-175.7-97.9000113.4R23 G27 S28 K31 W34R23-W25 PolarHBondContact O-N 3.47Å; W25-G27 PolarHBondContact O-N 3.18Å; W25-S28 PolarHBondContact O-N 3.05Å; W25-S28 PolarHBondContact O-OG 3.26Å; W25-K31 HydrophobicContact CZ2-CB 4.45Å; W25-K31 WeakPolarHBondContact O-CB 3.38Å; W25-W34 HydrophobicContact CH2-CB 4.27Å; W25-W34 HydrophobicContact CH2-CG 4.34Å; W25-W34 HydrophobicContact CZ2-CG 4.49Å
26K78.4Confident86.4Confident150 Ų15087 Ų8765%0.65240%0.398SS*.THydrogen-bonded Turntrans-67.5135177.3-66.9-173.3176.5-179.70109I3 S28I3-K26 HydrophobicContact CD1-CB 3.37Å; I3-K26 WeakPolarHBondContact CD1-O 3.27Å; K26-S28 PolarHBondContact O-N 3.47Å
27G78.3Confident87.1Confident28 Ų2880.4 Ų80.429%0.28937%0.37SS..THydrogen-bonded Turntrans58.619-175.100000115.5W25 E439W25-G27 PolarHBondContact O-N 3.18Å; G27-E439 WeakPolarHBondContact CA-OE1 3.39Å
28S87.7Confident87.7Confident18 Ų1884 Ų8413%0.12639%0.39CS..SBendtrans-95.5157.8-179.281.10000112.4R24 W25 K26 Y30 K31 L32R24-S28 WeakPolarHBondContact O-CB 3.5Å; R24-S28 PolarHBondContact O-OG 3.33Å; W25-S28 PolarHBondContact O-N 3.05Å; W25-S28 PolarHBondContact O-OG 3.26Å; K26-S28 PolarHBondContact O-N 3.47Å; S28-Y30 PolarHBondContact O-N 2.88Å; S28-Y30 PolarHBondContact OG-N 3.28Å; S28-K31 PolarHBondContact O-N 3.12Å; S28-K31 VanDerWaalsContact O-N 3.14Å; S28-L32 PolarHBondContact O-N 2.91Å
29L88.4Confident88.4Confident61 Ų6182.5 Ų82.532%0.31939%0.387SS..Hα-helixtrans-52-38.8174.3-167.463.6000111.9K31 L32 V33 V426L29-K31 PolarHBondContact O-N 3.37Å; L29-L32 WeakPolarHBondContact O-CB 3.28Å; L29-L32 PolarHBondContact O-N 3.07Å; L29-V33 HydrophobicContact CD1-CG1 4.39Å; L29-V33 HydrophobicContact CG-CG1 4.44Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 3.46Å; L29-V426 HydrophobicContact CD1-CG2 4Å
30Y89.7Confident89Confident80 Ų8079 Ų7931%0.31436%0.364SS..Hα-helixtrans-63-44-178.9-56-68.4000112.3L22 S28 L32 V33 W34 L418L22-Y30 WeakPolarHBondContact O-CE2 3.36Å; S28-Y30 PolarHBondContact O-N 2.88Å; S28-Y30 PolarHBondContact OG-N 3.28Å; Y30-L32 PolarHBondContact O-N 3.41Å; Y30-V33 PolarHBondContact O-N 3.41Å; Y30-W34 VanDerWaalsContact O-CB 3.29Å; Y30-W34 WeakPolarHBondContact O-CB 3.46Å; Y30-W34 PolarHBondContact O-N 2.83Å; Y30-L418 HydrophobicContact CD1-CD2 4.39Å; Y30-L418 HydrophobicContact CE1-CD1 4.19Å; Y30-L418 HydrophobicContact CE1-CD2 4.43Å
31K89.7Confident89.5Confident88 Ų8876.3 Ų76.338%0.38335%0.354SS..Hα-helixtrans-60.4-27.6175.1-177.6-172.4173.3-1590111.7W25 S28 L29 W34 D438W25-K31 HydrophobicContact CZ2-CB 4.45Å; W25-K31 WeakPolarHBondContact O-CB 3.38Å; S28-K31 PolarHBondContact O-N 3.12Å; S28-K31 VanDerWaalsContact O-N 3.14Å; L29-K31 PolarHBondContact O-N 3.37Å; K31-W34 PolarHBondContact O-NE1 3.41Å; K31-D438 IonicContact NZ-OD2 3.83Å; K31-D438 PolarHBondContact NZ-OD2 3.33Å
32L88.9Confident89.9Confident66 Ų6676.3 Ų76.335%0.34636%0.36SS..Hα-helixtrans-86.3-27.9-178.3-162.561.2000113.6S28 L29 Y30 K425 C429S28-L32 PolarHBondContact O-N 2.91Å; L29-L32 WeakPolarHBondContact O-CB 3.28Å; L29-L32 PolarHBondContact O-N 3.07Å; Y30-L32 PolarHBondContact O-N 3.41Å; L32-K425 HydrophobicContact CD2-CB 3.47Å; L32-K425 VanDerWaalsContact CD2-CB 3.47Å; L32-K425 HydrophobicContact CD2-CG 4.48Å; L32-K425 HydrophobicContact CG-CB 3.69Å; L32-K425 HydrophobicContact CG-CD 4.47Å; L32-K425 HydrophobicContact CG-CG 4.18Å; L32-C429 HydrophobicContact CD1-CB 4.48Å; L32-C429 HydrophobicContact CD2-CB 4.23Å
33V93.9Very high90.4Very high0 Ų073.3 Ų73.30%035%0.349CS..Hα-helixtrans-110.7-10.3-175-560000114.9L29 Y30 V35 D36 L37 L418 M421 K425L29-V33 HydrophobicContact CD1-CG1 4.39Å; L29-V33 HydrophobicContact CG-CG1 4.44Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 3.46Å; Y30-V33 PolarHBondContact O-N 3.41Å; V33-V35 VanDerWaalsContact C-N 3.29Å; V33-V35 PolarHBondContact O-N 2.94Å; V33-D36 PolarHBondContact O-N 3.25Å; V33-L37 WeakPolarHBondContact O-CB 3.49Å; V33-L37 PolarHBondContact O-N 3.44Å; V33-L418 HydrophobicContact CG2-CD2 3.6Å; V33-M421 HydrophobicContact CG1-CG 4.45Å; V33-K425 HydrophobicContact CG1-CB 4.4Å; V33-K425 HydrophobicContact CG1-CG 3.97Å
34W94Very high90.8Very high132 Ų13263.3 Ų63.350%0.531%0.311SS..Hα-helixtrans-59.3-35.3-17069.5-83.3000114W25 Y30 K31 L38W25-W34 HydrophobicContact CH2-CB 4.27Å; W25-W34 HydrophobicContact CH2-CG 4.34Å; W25-W34 HydrophobicContact CZ2-CG 4.49Å; Y30-W34 VanDerWaalsContact O-CB 3.29Å; Y30-W34 WeakPolarHBondContact O-CB 3.46Å; Y30-W34 PolarHBondContact O-N 2.83Å; K31-W34 PolarHBondContact O-NE1 3.41Å; W34-L38 VanDerWaalsContact O-CB 3.26Å; W34-L38 WeakPolarHBondContact O-CB 3.38Å; W34-L38 PolarHBondContact O-N 2.92Å
35V94.9Very high91.2Very high69 Ų6961.8 Ų61.842%0.41831%0.306SS..Hα-helixtrans-65.8-51177.3-178.30000110.1V33 L37 L38 I39V33-V35 VanDerWaalsContact C-N 3.29Å; V33-V35 PolarHBondContact O-N 2.94Å; V35-L37 VanDerWaalsContact C-N 3.3Å; V35-L37 PolarHBondContact O-N 3.39Å; V35-L38 PolarHBondContact O-N 2.94Å; V35-I39 HydrophobicContact CG1-CD1 4.1Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.32Å
36D95Very high91.7Very high29 Ų2959.2 Ų59.216%0.15531%0.306CS..Hα-helixtrans-63.5-38.5179.1-58.1-87.4000111V33 I39 Y40 Y381 F417 M421 K425V33-D36 PolarHBondContact O-N 3.25Å; D36-I39 PolarHBondContact O-N 3.43Å; D36-Y40 VanDerWaalsContact O-CB 3.29Å; D36-Y40 WeakPolarHBondContact O-CB 3.41Å; D36-Y40 PolarHBondContact O-N 2.96Å; D36-Y381 PolarHBondContact OD1-OH 3.45Å; D36-F417 HydrophobicContact CB-CE1 4.39Å; D36-F417 HydrophobicContact CB-CZ 3.76Å; D36-M421 HydrophobicContact CB-CE 4.44Å; D36-M421 HydrophobicContact CB-CG 4.46Å; D36-K425 IonicContact OD1-NZ 3.75Å; D36-K425 WeakPolarHBondContact OD2-CE 3.4Å; D36-K425 IonicContact OD2-NZ 3.31Å; D36-K425 PolarHBondContact OD2-NZ 2.79Å
37L95.3Very high92.4Very high30 Ų3053.8 Ų53.816%0.15728%0.284CS..Hα-helixtrans-64.6-41.3175.8-179.964.2000111.7V33 V35 Y40 I41 I414 F417 L418V33-L37 WeakPolarHBondContact O-CB 3.49Å; V33-L37 PolarHBondContact O-N 3.44Å; V35-L37 VanDerWaalsContact C-N 3.3Å; V35-L37 PolarHBondContact O-N 3.39Å; L37-Y40 WeakPolarHBondContact O-CB 3.38Å; L37-Y40 PolarHBondContact O-N 3.19Å; L37-I41 HydrophobicContact CD1-CD1 3.87Å; L37-I41 HydrophobicContact CD1-CG1 4.11Å; L37-I41 HydrophobicContact CD2-CD1 4.42Å; L37-I41 HydrophobicContact CG-CD1 3.8Å; L37-I41 HydrophobicContact CG-CG1 4.39Å; L37-I41 WeakPolarHBondContact O-CB 3.25Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.49Å; L37-I41 PolarHBondContact O-N 2.93Å; L37-I414 HydrophobicContact CD1-CG2 4.12Å; L37-F417 HydrophobicContact CB-CD1 4.22Å; L37-F417 HydrophobicContact CB-CE1 3.74Å; L37-F417 HydrophobicContact CB-CZ 4.49Å; L37-F417 HydrophobicContact CD1-CD1 3.61Å; L37-F417 HydrophobicContact CD1-CE1 3.99Å; L37-F417 HydrophobicContact CD1-CG 4.21Å; L37-F417 HydrophobicContact CG-CD1 4.49Å; L37-F417 HydrophobicContact CG-CE1 4.48Å; L37-L418 HydrophobicContact CD2-CD2 4.14Å
38L95.9Very high93Very high99 Ų9952.5 Ų52.552%0.51827%0.27SS..Hα-helixtrans-64.1-43.2176.9-176.3149.6000110.9W34 V35 I41 S42W34-L38 VanDerWaalsContact O-CB 3.26Å; W34-L38 WeakPolarHBondContact O-CB 3.38Å; W34-L38 PolarHBondContact O-N 2.92Å; V35-L38 PolarHBondContact O-N 2.94Å; L38-I41 PolarHBondContact O-N 3.44Å; L38-S42 VanDerWaalsContact O-CB 3.27Å; L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 3.39Å; L38-S42 PolarHBondContact O-OG 3.25Å
39I95.8Very high93.2Very high103 Ų10355.3 Ų55.353%0.52828%0.284SS..Hα-helixtrans-61-46.4174.5-67.3167.3000110.3V35 D36 S42 A43V35-I39 HydrophobicContact CG1-CD1 4.1Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 3.32Å; D36-I39 PolarHBondContact O-N 3.43Å; I39-S42 PolarHBondContact O-N 2.79Å; I39-A43 WeakPolarHBondContact O-CB 3.28Å; I39-A43 PolarHBondContact O-N 3.38Å
40Y95.5Very high93.4Very high8 Ų854.3 Ų54.33%0.03128%0.281CS..Hα-helixtrans-58.8-49.7178.3-179.8-90000112.4D36 L37 S42 A43 Y44 F384 Q387 I388 S413 F417D36-Y40 VanDerWaalsContact O-CB 3.29Å; D36-Y40 WeakPolarHBondContact O-CB 3.41Å; D36-Y40 PolarHBondContact O-N 2.96Å; L37-Y40 WeakPolarHBondContact O-CB 3.38Å; L37-Y40 PolarHBondContact O-N 3.19Å; Y40-S42 VanDerWaalsContact C-N 3.35Å; Y40-S42 PolarHBondContact O-N 3.01Å; Y40-A43 PolarHBondContact O-N 3.07Å; Y40-Y44 WeakPolarHBondContact O-CB 3.35Å; Y40-Y44 PolarHBondContact O-N 2.91Å; Y40-F384 HydrophobicContact CD2-CB 4.44Å; Y40-F384 HydrophobicContact CD2-CD1 4.41Å; Y40-F384 HydrophobicContact CE2-CB 4.26Å; Y40-F384 AromaticContact CE2-CD1 3.9Å; Y40-F384 HydrophobicContact CE2-CD1 3.9Å; Y40-F384 HydrophobicContact CE2-CG 4.39Å; Y40-Q387 VanDerWaalsContact OH-CG 3.31Å; Y40-Q387 WeakPolarHBondContact OH-CG 3.48Å; Y40-I388 HydrophobicContact CD2-CD1 3.73Å; Y40-I388 HydrophobicContact CD2-CG1 3.66Å; Y40-I388 HydrophobicContact CE2-CD1 3.82Å; Y40-I388 HydrophobicContact CE2-CG1 3.23Å; Y40-S413 PolarHBondContact OH-OG 3.46Å; Y40-F417 HydrophobicContact CD1-CD2 4.12Å; Y40-F417 HydrophobicContact CD1-CG 4.46Å; Y40-F417 AromaticContact CD2-CD2 3.49Å; Y40-F417 HydrophobicContact CD2-CD2 3.49Å; Y40-F417 VanDerWaalsContact CD2-CD2 3.49Å; Y40-F417 AromaticContact CD2-CE2 3.67Å; Y40-F417 HydrophobicContact CD2-CE2 3.67Å; Y40-F417 AromaticContact CE2-CD2 3.94Å; Y40-F417 HydrophobicContact CE2-CD2 3.94Å; Y40-F417 HydrophobicContact CE2-CE2 4.5Å; Y40-F417 AromaticContact CG-CD2 3.61Å; Y40-F417 HydrophobicContact CG-CD2 3.61Å; Y40-F417 AromaticContact CG-CE2 3.75Å; Y40-F417 HydrophobicContact CG-CE2 3.75Å; Y40-F417 HydrophobicContact CG-CG 4.34Å
41I94Very high93.4Very high48 Ų4851 Ų5125%0.24627%0.269CS..Hα-helixtrans-64.8-40.7178.9-69.8172.5000110.7L37 L38 Y44 Y45 I414L37-I41 HydrophobicContact CD1-CD1 3.87Å; L37-I41 HydrophobicContact CD1-CG1 4.11Å; L37-I41 HydrophobicContact CD2-CD1 4.42Å; L37-I41 HydrophobicContact CG-CD1 3.8Å; L37-I41 HydrophobicContact CG-CG1 4.39Å; L37-I41 WeakPolarHBondContact O-CB 3.25Å; L37-I41 VanDerWaalsContact O-CG1 3.27Å; L37-I41 WeakPolarHBondContact O-CG1 3.49Å; L37-I41 PolarHBondContact O-N 2.93Å; L38-I41 PolarHBondContact O-N 3.44Å; I41-Y44 WeakPolarHBondContact O-CB 3.22Å; I41-Y44 PolarHBondContact O-N 2.9Å; I41-Y45 HydrophobicContact CG2-CD2 3.62Å; I41-Y45 HydrophobicContact CG2-CE2 3.48Å; I41-Y45 VanDerWaalsContact CG2-CE2 3.48Å; I41-Y45 VanDerWaalsContact O-CD2 3.24Å; I41-Y45 WeakPolarHBondContact O-CD2 3.33Å; I41-Y45 PolarHBondContact O-N 3.05Å; I41-I414 HydrophobicContact CD1-CD1 4.27Å; I41-I414 HydrophobicContact CD1-CG1 4.46Å; I41-I414 HydrophobicContact CG1-CG1 4.5Å
42S94.9Very high93.3Very high57 Ų5750.6 Ų50.640%0.39927%0.265SS..Hα-helixtrans-62.3-47177.4-58.10000111.1L38 I39 Y40 Y44 Y45 V46L38-S42 VanDerWaalsContact O-CB 3.27Å; L38-S42 WeakPolarHBondContact O-CB 3.35Å; L38-S42 PolarHBondContact O-N 3.39Å; L38-S42 PolarHBondContact O-OG 3.25Å; I39-S42 PolarHBondContact O-N 2.79Å; Y40-S42 VanDerWaalsContact C-N 3.35Å; Y40-S42 PolarHBondContact O-N 3.01Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.33Å; S42-Y45 PolarHBondContact O-N 3.45Å; S42-V46 VanDerWaalsContact O-CG2 3.28Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.44Å
43A95Very high93.4Very high36 Ų3655.5 Ų55.530%0.29828%0.283SS..Hα-helixtrans-61.3-41.1176.500000112.1I39 Y40 V46 L47 I388I39-A43 WeakPolarHBondContact O-CB 3.28Å; I39-A43 PolarHBondContact O-N 3.38Å; Y40-A43 PolarHBondContact O-N 3.07Å; A43-V46 PolarHBondContact O-N 3.25Å; A43-L47 PolarHBondContact O-N 3.49Å; A43-I388 HydrophobicContact CB-CD1 4.17Å
44Y93.9Very high93.3Very high0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-57.8-49.3174.7172.2-90.6000112Y40 I41 S42 L47 N48 C391 Q392 F393 P410Y40-Y44 WeakPolarHBondContact O-CB 3.35Å; Y40-Y44 PolarHBondContact O-N 2.91Å; I41-Y44 WeakPolarHBondContact O-CB 3.22Å; I41-Y44 PolarHBondContact O-N 2.9Å; S42-Y44 VanDerWaalsContact C-N 3.33Å; S42-Y44 PolarHBondContact O-N 3.33Å; Y44-L47 PolarHBondContact O-N 3.29Å; Y44-N48 WeakPolarHBondContact O-CB 3.46Å; Y44-N48 PolarHBondContact O-N 2.86Å; Y44-C391 HydrophobicContact CE2-CB 4.37Å; Y44-Q392 PolarHBondContact O-NE2 3.33Å; Y44-F393 WeakPolarHBondContact OH-CD2 3.3Å; Y44-P410 HydrophobicContact CD1-CG 3.81Å; Y44-P410 HydrophobicContact CD2-CB 4.5Å; Y44-P410 HydrophobicContact CD2-CG 4.06Å; Y44-P410 HydrophobicContact CE1-CB 4.28Å; Y44-P410 HydrophobicContact CE1-CG 3.59Å; Y44-P410 HydrophobicContact CE2-CB 3.92Å; Y44-P410 HydrophobicContact CE2-CG 3.85Å; Y44-P410 HydrophobicContact CG-CG 4.05Å
45Y93.1Very high93.2Very high52 Ų5254.7 Ų54.720%0.20430%0.298CS..Hα-helixtrans-70.5-34.8-179.7-77.7-62.8000112.9I41 S42 L47 N48 L49 Y408I41-Y45 HydrophobicContact CG2-CD2 3.62Å; I41-Y45 HydrophobicContact CG2-CE2 3.48Å; I41-Y45 VanDerWaalsContact CG2-CE2 3.48Å; I41-Y45 VanDerWaalsContact O-CD2 3.24Å; I41-Y45 WeakPolarHBondContact O-CD2 3.33Å; I41-Y45 PolarHBondContact O-N 3.05Å; S42-Y45 PolarHBondContact O-N 3.45Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 2.88Å; Y45-N48 PolarHBondContact O-N 3.26Å; Y45-L49 VanDerWaalsContact O-CB 3.3Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 VanDerWaalsContact O-CG 3.22Å; Y45-L49 WeakPolarHBondContact O-CG 3.17Å; Y45-L49 PolarHBondContact O-N 3.41Å; Y45-Y408 HydrophobicContact CD1-CE1 4.45Å; Y45-Y408 AromaticContact CE1-CD1 4Å; Y45-Y408 HydrophobicContact CE1-CD1 4Å; Y45-Y408 AromaticContact CE1-CE1 3.51Å; Y45-Y408 HydrophobicContact CE1-CE1 3.51Å; Y45-Y408 HydrophobicContact CE1-CE2 4.31Å; Y45-Y408 AromaticContact CE1-CZ 3.69Å; Y45-Y408 AromaticContact CZ-CE1 3.95Å; Y45-Y408 PolarHBondContact OH-O 3.32Å
46V94.3Very high93.1Very high89 Ų8957 Ų5754%0.53931%0.308SS..Hα-helixtrans-59.4-45.7173.9167.90000110.5S42 A43 S50S42-V46 VanDerWaalsContact O-CG2 3.28Å; S42-V46 WeakPolarHBondContact O-CG2 3.38Å; S42-V46 PolarHBondContact O-N 3.44Å; A43-V46 PolarHBondContact O-N 3.25Å; V46-S50 VanDerWaalsContact O-CB 3.27Å; V46-S50 WeakPolarHBondContact O-CB 3.39Å; V46-S50 PolarHBondContact O-N 3.05Å; V46-S50 PolarHBondContact O-OG 3.16Å
47L92.9Very high92.9Very high36 Ų3661.5 Ų61.519%0.18833%0.332CS..Hα-helixtrans-67.2-41.8176.9-73.3166.9000112.2A43 Y44 Y45 S50 Y51 F63 I388 F389A43-L47 PolarHBondContact O-N 3.49Å; Y44-L47 PolarHBondContact O-N 3.29Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 2.88Å; L47-S50 PolarHBondContact O-N 3Å; L47-Y51 WeakPolarHBondContact O-CB 3.33Å; L47-Y51 PolarHBondContact O-N 3.27Å; L47-F63 HydrophobicContact CD2-CE2 4.39Å; L47-I388 HydrophobicContact CD1-CG2 3.34Å; L47-F389 HydrophobicContact CD1-CD1 4.29Å; L47-F389 HydrophobicContact CD1-CE1 3.99Å; L47-F389 HydrophobicContact CD1-CZ 4.1Å; L47-F389 HydrophobicContact CD2-CE1 3.81Å; L47-F389 HydrophobicContact CD2-CZ 4.21Å
48N90.9Very high92.7Very high1 Ų168.3 Ų68.31%0.00536%0.36CS..Hα-helixtrans-61.6-47178.1-168-81.6000112Y44 Y45 Y51 R52 Q392Y44-N48 WeakPolarHBondContact O-CB 3.46Å; Y44-N48 PolarHBondContact O-N 2.86Å; Y45-N48 PolarHBondContact O-N 3.26Å; N48-Y51 PolarHBondContact O-N 3.02Å; N48-R52 WeakPolarHBondContact O-CG 3.26Å; N48-R52 PolarHBondContact O-N 3.06Å; N48-R52 WeakPolarHBondContact OD1-CD 3.48Å; N48-R52 PolarHBondContact OD1-NE 3.28Å; N48-Q392 VanDerWaalsContact CA-OE1 3.29Å; N48-Q392 PolarHBondContact ND2-OE1 2.93Å
49L91.3Very high92.6Very high78 Ų7868.2 Ų68.241%0.40836%0.357SS..Hα-helixtrans-65.5-38.8176.4-69.9173.3000111.6Y45 R52 F53Y45-L49 VanDerWaalsContact O-CB 3.3Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 VanDerWaalsContact O-CG 3.22Å; Y45-L49 WeakPolarHBondContact O-CG 3.17Å; Y45-L49 PolarHBondContact O-N 3.41Å; L49-R52 PolarHBondContact O-N 3.01Å; L49-F53 HydrophobicContact CB-CD2 4.47Å; L49-F53 HydrophobicContact CD2-CD2 3.82Å; L49-F53 HydrophobicContact CD2-CE2 3.62Å; L49-F53 WeakPolarHBondContact O-CB 3.35Å; L49-F53 PolarHBondContact O-N 3.13Å
50S92.3Very high92.5Very high39 Ų3965.8 Ų65.827%0.27334%0.342SS..Iπ-helixtrans-62.5-45175.8-60.20000111.4V46 L47 R52 A54 M55V46-S50 VanDerWaalsContact O-CB 3.27Å; V46-S50 WeakPolarHBondContact O-CB 3.39Å; V46-S50 PolarHBondContact O-N 3.05Å; V46-S50 PolarHBondContact O-OG 3.16Å; L47-S50 PolarHBondContact O-N 3Å; S50-R52 PolarHBondContact O-N 3.47Å; S50-A54 WeakPolarHBondContact O-CA 3.38Å; S50-A54 WeakPolarHBondContact O-CB 3.38Å; S50-A54 PolarHBondContact O-N 3.22Å; S50-M55 WeakPolarHBondContact O-CG 3.25Å; S50-M55 PolarHBondContact O-N 2.93Å
51Y90.8Very high92.3Very high12 Ų1269.8 Ų69.85%0.04736%0.363CS..Iπ-helixtrans-62.3-42176.1176.2-100.9000112.4L47 N48 M55 K60 F63 E64 V394 Q395L47-Y51 WeakPolarHBondContact O-CB 3.33Å; L47-Y51 PolarHBondContact O-N 3.27Å; N48-Y51 PolarHBondContact O-N 3.02Å; Y51-M55 HydrophobicContact CD2-SD 4.24Å; Y51-K60 HydrophobicContact CD2-CB 4.49Å; Y51-K60 HydrophobicContact CD2-CG 4.03Å; Y51-K60 HydrophobicContact CE2-CB 3.76Å; Y51-K60 HydrophobicContact CE2-CD 4.14Å; Y51-K60 HydrophobicContact CE2-CG 3.62Å; Y51-K60 WeakPolarHBondContact O-CE 3.37Å; Y51-F63 HydrophobicContact CD2-CB 4.4Å; Y51-F63 AromaticContact CD2-CD1 3.36Å; Y51-F63 HydrophobicContact CD2-CD1 3.36Å; Y51-F63 AromaticContact CD2-CE1 3.75Å; Y51-F63 HydrophobicContact CD2-CE1 3.75Å; Y51-F63 HydrophobicContact CD2-CG 4.02Å; Y51-F63 AromaticContact CE2-CD1 3.86Å; Y51-F63 HydrophobicContact CE2-CD1 3.86Å; Y51-F63 HydrophobicContact CE2-CE1 4.47Å; Y51-F63 HydrophobicContact CG-CD1 4.15Å; Y51-F63 HydrophobicContact CG-CE1 4.08Å; Y51-E64 PolarHBondContact OH-OE1 3.05Å; Y51-E64 VanDerWaalsContact OH-OE1 3.07Å; Y51-V394 HydrophobicContact CE1-CG1 4.31Å; Y51-V394 HydrophobicContact CE2-CG1 3.78Å; Y51-V394 VanDerWaalsContact OH-CG1 3.25Å; Y51-V394 WeakPolarHBondContact OH-CG1 3.11Å; Y51-Q395 WeakPolarHBondContact OH-CB 3.21Å; Y51-Q395 PolarHBondContact OH-N 3.38Å
52R87.2Confident92.3Very high79 Ų7972.1 Ų72.130%0.29838%0.375SS..Iπ-helixtrans-74.8-43.5-176.9-71.4179.3-174.2-154.2-1.6113.6N48 L49 S50 D406N48-R52 WeakPolarHBondContact O-CG 3.26Å; N48-R52 PolarHBondContact O-N 3.06Å; N48-R52 WeakPolarHBondContact OD1-CD 3.48Å; N48-R52 PolarHBondContact OD1-NE 3.28Å; L49-R52 PolarHBondContact O-N 3.01Å; S50-R52 PolarHBondContact O-N 3.47Å; R52-D406 IonicContact CZ-OD2 3.84Å; R52-D406 IonicContact NH1-OD2 3.67Å; R52-D406 IonicContact NH2-OD1 3.97Å; R52-D406 PolarHBondContact NH2-OD1 2.91Å; R52-D406 IonicContact NH2-OD2 3.19Å; R52-D406 PolarHBondContact NH2-OD2 2.93Å
53F91.1Very high92.2Very high168 Ų16869.8 Ų69.874%0.73736%0.358SS*.Iπ-helixtrans-116.4-23.2-166.3-60.1-66.8000115L49L49-F53 HydrophobicContact CB-CD2 4.47Å; L49-F53 HydrophobicContact CD2-CD2 3.82Å; L49-F53 HydrophobicContact CD2-CE2 3.62Å; L49-F53 WeakPolarHBondContact O-CB 3.35Å; L49-F53 PolarHBondContact O-N 3.13Å
54A91.5Very high92.1Very high69 Ų6970 Ų7057%0.5735%0.353SS*.Iπ-helixtrans-103.2-28.8-175.300000113.7S50S50-A54 WeakPolarHBondContact O-CA 3.38Å; S50-A54 WeakPolarHBondContact O-CB 3.38Å; S50-A54 PolarHBondContact O-N 3.22Å
55M92.2Very high92.1Very high47 Ų4775.7 Ų75.723%0.23238%0.38CS..  trans-88.6133.3-174.8-68.8-179.1-177.500113.3S50 Y51 Q59 K60 F63S50-M55 WeakPolarHBondContact O-CG 3.25Å; S50-M55 PolarHBondContact O-N 2.93Å; Y51-M55 HydrophobicContact CD2-SD 4.24Å; M55-Q59 HydrophobicContact CB-CB 4.03Å; M55-Q59 HydrophobicContact CG-CB 4.23Å; M55-K60 HydrophobicContact CB-CG 3.98Å; M55-K60 VanDerWaalsContact O-CE 3.28Å; M55-K60 WeakPolarHBondContact O-CE 3.27Å; M55-F63 HydrophobicContact CE-CD2 3.74Å; M55-F63 HydrophobicContact CE-CE2 4.2Å; M55-F63 HydrophobicContact CE-CG 4.34Å; M55-F63 HydrophobicContact SD-CB 3.95Å; M55-F63 HydrophobicContact SD-CD2 4.04Å; M55-F63 HydrophobicContact SD-CG 4.03Å
56N92.6Very high92.2Very high118 Ų11876.6 Ų76.663%0.63139%0.387SS*.  trans-78165.8169.6-66.7-30.8000111.6K58 Q59 K60N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.07Å; N56-K58 VanDerWaalsContact O-N 3.17Å; N56-Q59 WeakPolarHBondContact O-CA 3.41Å; N56-Q59 WeakPolarHBondContact O-CB 3.49Å; N56-Q59 PolarHBondContact O-N 2.9Å; N56-K60 PolarHBondContact O-N 3.33Å
57D90Very high92.2Very high123 Ų12373 Ų7366%0.65837%0.365SS*.Hα-helixtrans-55.3-40.1-175.5-59-40.3000113.7Q59 K60 I61D57-Q59 PolarHBondContact O-N 3.5Å; D57-K60 PolarHBondContact O-N 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.46Å; D57-I61 PolarHBondContact O-N 2.76Å
58K92.3Very high92.1Very high173 Ų17376.6 Ų76.675%0.75238%0.381SS*.Hα-helixtrans-63.7-38.3174.8-64.3-175-178.7-178.90113.1N56 I62N56-K58 VanDerWaalsContact C-N 3.29Å; N56-K58 PolarHBondContact O-N 3.07Å; N56-K58 VanDerWaalsContact O-N 3.17Å; K58-I62 PolarHBondContact O-N 3.39Å
59Q93.1Very high92.3Very high96 Ų9682.9 Ų82.945%0.44941%0.409SS..Hα-helixtrans-73.3-33.2179.1-68.8170.1-41.900111.4M55 N56 D57 I61 I62 F63M55-Q59 HydrophobicContact CB-CB 4.03Å; M55-Q59 HydrophobicContact CG-CB 4.23Å; N56-Q59 WeakPolarHBondContact O-CA 3.41Å; N56-Q59 WeakPolarHBondContact O-CB 3.49Å; N56-Q59 PolarHBondContact O-N 2.9Å; D57-Q59 PolarHBondContact O-N 3.5Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 PolarHBondContact O-N 2.96Å; Q59-I62 PolarHBondContact O-N 3.45Å; Q59-F63 WeakPolarHBondContact O-CB 3.38Å; Q59-F63 PolarHBondContact O-N 3.31Å
60K92.8Very high92.5Very high52 Ų5279.7 Ų79.723%0.22639%0.393CS..Hα-helixtrans-61.8-39175.1-70.9179.4178165.80112.1Y51 M55 N56 D57 F63 E64Y51-K60 HydrophobicContact CD2-CB 4.49Å; Y51-K60 HydrophobicContact CD2-CG 4.03Å; Y51-K60 HydrophobicContact CE2-CB 3.76Å; Y51-K60 HydrophobicContact CE2-CD 4.14Å; Y51-K60 HydrophobicContact CE2-CG 3.62Å; Y51-K60 WeakPolarHBondContact O-CE 3.37Å; M55-K60 HydrophobicContact CB-CG 3.98Å; M55-K60 VanDerWaalsContact O-CE 3.28Å; M55-K60 WeakPolarHBondContact O-CE 3.27Å; N56-K60 PolarHBondContact O-N 3.33Å; D57-K60 PolarHBondContact O-N 3.28Å; K60-F63 WeakPolarHBondContact O-CB 3.23Å; K60-F63 PolarHBondContact O-N 2.66Å; K60-E64 WeakPolarHBondContact O-CB 3.48Å; K60-E64 VanDerWaalsContact O-CG 3.29Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.68Å
61I91.9Very high92.5Very high92 Ų9281 Ų8147%0.47240%0.399SS..Hα-helixtrans-62.7-46.2175-63.4166.4000110.9D57 Q59 F63 E64 E65D57-I61 WeakPolarHBondContact O-CG1 3.46Å; D57-I61 PolarHBondContact O-N 2.76Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-I61 PolarHBondContact O-N 2.96Å; I61-F63 VanDerWaalsContact C-N 3.3Å; I61-F63 PolarHBondContact O-N 3.02Å; I61-E64 VanDerWaalsContact O-CB 3.31Å; I61-E64 WeakPolarHBondContact O-CB 3.24Å; I61-E64 PolarHBondContact O-N 3.44Å; I61-E65 PolarHBondContact O-N 3.33Å
62I93.3Very high92.6Very high97 Ų9788 Ų8850%0.49743%0.425SS..Hα-helixtrans-63.4-39.8176.8-62.3168.6000110.7K58 Q59 E64 E65 I66K58-I62 PolarHBondContact O-N 3.39Å; Q59-I62 PolarHBondContact O-N 3.45Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E65 PolarHBondContact O-N 3.2Å; I62-I66 HydrophobicContact CG2-CD1 4.17Å; I62-I66 WeakPolarHBondContact O-CG1 3.43Å; I62-I66 PolarHBondContact O-N 3.03Å
63F94.3Very high92.9Very high8 Ų886.1 Ų86.14%0.03542%0.422CS..Hα-helixtrans-63.3-40.8175.9-175.2-97000112L47 Y51 M55 Q59 K60 I61 E65 I66 V67 F389 Q392 V394L47-F63 HydrophobicContact CD2-CE2 4.39Å; Y51-F63 HydrophobicContact CD2-CB 4.4Å; Y51-F63 AromaticContact CD2-CD1 3.36Å; Y51-F63 HydrophobicContact CD2-CD1 3.36Å; Y51-F63 AromaticContact CD2-CE1 3.75Å; Y51-F63 HydrophobicContact CD2-CE1 3.75Å; Y51-F63 HydrophobicContact CD2-CG 4.02Å; Y51-F63 AromaticContact CE2-CD1 3.86Å; Y51-F63 HydrophobicContact CE2-CD1 3.86Å; Y51-F63 HydrophobicContact CE2-CE1 4.47Å; Y51-F63 HydrophobicContact CG-CD1 4.15Å; Y51-F63 HydrophobicContact CG-CE1 4.08Å; M55-F63 HydrophobicContact CE-CD2 3.74Å; M55-F63 HydrophobicContact CE-CE2 4.2Å; M55-F63 HydrophobicContact CE-CG 4.34Å; M55-F63 HydrophobicContact SD-CB 3.95Å; M55-F63 HydrophobicContact SD-CD2 4.04Å; M55-F63 HydrophobicContact SD-CG 4.03Å; Q59-F63 WeakPolarHBondContact O-CB 3.38Å; Q59-F63 PolarHBondContact O-N 3.31Å; K60-F63 WeakPolarHBondContact O-CB 3.23Å; K60-F63 PolarHBondContact O-N 2.66Å; I61-F63 VanDerWaalsContact C-N 3.3Å; I61-F63 PolarHBondContact O-N 3.02Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-E65 PolarHBondContact O-N 2.91Å; F63-I66 WeakPolarHBondContact O-CB 3.48Å; F63-I66 PolarHBondContact O-N 3.24Å; F63-V67 HydrophobicContact CD1-CG2 3.89Å; F63-V67 HydrophobicContact CE1-CG2 3.6Å; F63-V67 HydrophobicContact CZ-CG2 4.08Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 3.17Å; F63-F389 HydrophobicContact CE2-CD1 4.03Å; F63-F389 HydrophobicContact CE2-CE1 4.14Å; F63-F389 HydrophobicContact CZ-CD1 4.42Å; F63-Q392 HydrophobicContact CE1-CB 4.07Å; F63-Q392 HydrophobicContact CE1-CG 4.26Å; F63-Q392 HydrophobicContact CZ-CB 4.27Å; F63-Q392 HydrophobicContact CZ-CG 3.93Å; F63-V394 HydrophobicContact CD1-CG2 4.42Å; F63-V394 HydrophobicContact CE1-CG2 4.13Å
64E93.3Very high92.9Very high40 Ų4080.2 Ų80.219%0.18740%0.397CS..Hα-helixtrans-56.3-45.8173.5-82.1163.1-16300111.9Y51 K60 I61 I62 I66 V67 E68 V394 H396Y51-E64 PolarHBondContact OH-OE1 3.05Å; Y51-E64 VanDerWaalsContact OH-OE1 3.07Å; K60-E64 WeakPolarHBondContact O-CB 3.48Å; K60-E64 VanDerWaalsContact O-CG 3.29Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.68Å; I61-E64 VanDerWaalsContact O-CB 3.31Å; I61-E64 WeakPolarHBondContact O-CB 3.24Å; I61-E64 PolarHBondContact O-N 3.44Å; I62-E64 VanDerWaalsContact C-N 3.34Å; E64-I66 PolarHBondContact O-N 3.4Å; E64-V67 PolarHBondContact O-N 2.9Å; E64-E68 PolarHBondContact O-N 3.08Å; E64-V394 HydrophobicContact CB-CG1 4.34Å; E64-V394 HydrophobicContact CG-CB 4.34Å; E64-V394 HydrophobicContact CG-CG1 3.02Å; E64-V394 WeakPolarHBondContact OE1-CG1 3.18Å; E64-H396 WeakPolarHBondContact OE2-CB 3.27Å; E64-H396 IonicContact OE2-CG 2.72Å
65E93.4Very high92.8Very high121 Ų12180 Ų8057%0.56540%0.4SS*.Hα-helixtrans-61.4-42174.9-68.2174.8-178.400112.1I61 I62 F63 E68 F69I61-E65 PolarHBondContact O-N 3.33Å; I62-E65 PolarHBondContact O-N 3.2Å; F63-E65 VanDerWaalsContact C-N 3.33Å; F63-E65 PolarHBondContact O-N 2.91Å; E65-E68 PolarHBondContact O-N 3.37Å; E65-F69 WeakPolarHBondContact O-CB 3.24Å; E65-F69 PolarHBondContact O-N 3.31Å
66I94.7Very high92.8Very high71 Ų7183.6 Ų83.636%0.36442%0.421SS..Hα-helixtrans-63.8-41.8176.4-67.4166.3000111.1I62 F63 E64 F69 C70 F389I62-I66 HydrophobicContact CG2-CD1 4.17Å; I62-I66 WeakPolarHBondContact O-CG1 3.43Å; I62-I66 PolarHBondContact O-N 3.03Å; F63-I66 WeakPolarHBondContact O-CB 3.48Å; F63-I66 PolarHBondContact O-N 3.24Å; E64-I66 PolarHBondContact O-N 3.4Å; I66-F69 PolarHBondContact O-N 3.19Å; I66-C70 WeakPolarHBondContact O-CB 3.12Å; I66-C70 PolarHBondContact O-N 2.99Å; I66-C70 PolarHBondContact O-SG 3.22Å; I66-F389 HydrophobicContact CG2-CD1 4.06Å; I66-F389 HydrophobicContact CG2-CE1 4.38Å; I66-F389 HydrophobicContact CG2-CG 4.43Å
67V94Very high92.8Very high12 Ų1279.9 Ų79.97%0.07340%0.401CS..Hα-helixtrans-62.3-46.2177.4169.30000110.1F63 E64 F69 C70 V71 F389 Q392 V394F63-V67 HydrophobicContact CD1-CG2 3.89Å; F63-V67 HydrophobicContact CE1-CG2 3.6Å; F63-V67 HydrophobicContact CZ-CG2 4.08Å; F63-V67 WeakPolarHBondContact O-CG2 3.35Å; F63-V67 PolarHBondContact O-N 3.17Å; E64-V67 PolarHBondContact O-N 2.9Å; V67-F69 PolarHBondContact O-N 2.82Å; V67-C70 PolarHBondContact O-N 3.38Å; V67-V71 WeakPolarHBondContact O-CG2 3.37Å; V67-V71 PolarHBondContact O-N 3.18Å; V67-F389 WeakPolarHBondContact CG1-O 3.39Å; V67-F389 HydrophobicContact CG2-CB 4.48Å; V67-F389 WeakPolarHBondContact CG2-O 3.21Å; V67-Q392 HydrophobicContact CG2-CB 4.37Å; V67-V394 HydrophobicContact CG1-CG2 4.48Å; V67-V394 HydrophobicContact CG2-CG2 4.25Å
68E92.2Very high92.9Very high113 Ų11378.2 Ų78.253%0.52840%0.396SS..Hα-helixtrans-62.5-43.2176.8-165.2-169.9149.100111.9E64 E65 C70 V71 R72E64-E68 PolarHBondContact O-N 3.08Å; E65-E68 PolarHBondContact O-N 3.37Å; E68-C70 VanDerWaalsContact C-N 3.3Å; E68-C70 PolarHBondContact O-N 3.33Å; E68-V71 PolarHBondContact O-N 3.22Å; E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 VanDerWaalsContact O-N 3.07Å; E68-R72 IonicContact OE1-NH2 3.5Å; E68-R72 PolarHBondContact OE1-NH2 3.48Å
69F94.2Very high92.9Very high133 Ų13370.3 Ų70.358%0.58336%0.362SS*.Hα-helixtrans-57.8-43.9174.9175-98.8000111.8E65 I66 V67 R72 T73E65-F69 WeakPolarHBondContact O-CB 3.24Å; E65-F69 PolarHBondContact O-N 3.31Å; I66-F69 PolarHBondContact O-N 3.19Å; V67-F69 PolarHBondContact O-N 2.82Å; F69-R72 PolarHBondContact O-N 2.94Å; F69-T73 WeakPolarHBondContact CZ-OG1 3.46Å; F69-T73 WeakPolarHBondContact O-CB 3.29Å; F69-T73 PolarHBondContact O-N 3.38Å; F69-T73 PolarHBondContact O-OG1 3.08Å
70C95Very high92.8Very high10 Ų1070.5 Ų70.57%0.06837%0.374CS..Hα-helixtrans-68.4-38177.9-80.30000112.6I66 V67 E68 R72 K74 C386 F389I66-C70 WeakPolarHBondContact O-CB 3.12Å; I66-C70 PolarHBondContact O-N 2.99Å; I66-C70 PolarHBondContact O-SG 3.22Å; V67-C70 PolarHBondContact O-N 3.38Å; E68-C70 VanDerWaalsContact C-N 3.3Å; E68-C70 PolarHBondContact O-N 3.33Å; C70-R72 VanDerWaalsContact C-N 3.3Å; C70-R72 PolarHBondContact O-N 3.37Å; C70-K74 WeakPolarHBondContact O-CB 3.31Å; C70-K74 PolarHBondContact O-N 3.16Å; C70-C386 HydrophobicContact CB-CB 4.15Å; C70-C386 WeakPolarHBondContact CB-O 3.35Å; C70-F389 HydrophobicContact CB-CB 3.85Å
71V92Very high92.9Very high67 Ų6774.5 Ų74.541%0.40639%0.392SS..Hα-helixtrans-58.1-45.1173.3169.60000110.6V67 E68 A390V67-V71 WeakPolarHBondContact O-CG2 3.37Å; V67-V71 PolarHBondContact O-N 3.18Å; E68-V71 PolarHBondContact O-N 3.22Å; V71-A390 HydrophobicContact CB-CB 4.41Å; V71-A390 HydrophobicContact CG2-CB 3.58Å
72R93.5Very high93Very high159 Ų15972.3 Ų72.360%0.638%0.381SS*.Hα-helixtrans-65.8-55.4178.7-168.9178.7-54.6-162.84111.6E68 F69 C70 K74 G75E68-R72 PolarHBondContact O-N 2.88Å; E68-R72 VanDerWaalsContact O-N 3.07Å; E68-R72 IonicContact OE1-NH2 3.5Å; E68-R72 PolarHBondContact OE1-NH2 3.48Å; F69-R72 PolarHBondContact O-N 2.94Å; C70-R72 VanDerWaalsContact C-N 3.3Å; C70-R72 PolarHBondContact O-N 3.37Å; R72-K74 PolarHBondContact O-N 2.78Å; R72-G75 PolarHBondContact O-N 3.16Å
73T93.1Very high93.1Very high39 Ų3967.9 Ų67.924%0.23936%0.358CS..Hα-helixtrans-57.5-38.4-178.2-55.30000111.9F69 G75 D76F69-T73 WeakPolarHBondContact CZ-OG1 3.46Å; F69-T73 WeakPolarHBondContact O-CB 3.29Å; F69-T73 PolarHBondContact O-N 3.38Å; F69-T73 PolarHBondContact O-OG1 3.08Å; T73-G75 VanDerWaalsContact C-N 3.28Å; T73-G75 PolarHBondContact O-N 3.47Å; T73-D76 PolarHBondContact O-N 2.99Å
74K91.3Very high93.1Very high45 Ų4568.9 Ų68.920%0.19637%0.371CS..Hα-helixtrans-61.8-36.6178-162.7-16486.9151.70112.6C70 R72 D76 Y383 C386 Q387C70-K74 WeakPolarHBondContact O-CB 3.31Å; C70-K74 PolarHBondContact O-N 3.16Å; R72-K74 PolarHBondContact O-N 2.78Å; K74-D76 PolarHBondContact O-N 3.43Å; K74-Y383 HydrophobicContact CD-CD2 3.68Å; K74-Y383 HydrophobicContact CD-CE2 3.28Å; K74-Y383 HydrophobicContact CG-CD2 3.17Å; K74-Y383 HydrophobicContact CG-CE2 3.23Å; K74-Y383 HydrophobicContact CG-CG 4.19Å; K74-Y383 PolarHBondContact NZ-OH 3.37Å; K74-C386 HydrophobicContact CB-CB 4.06Å; K74-C386 HydrophobicContact CG-CB 4.38Å; K74-Q387 HydrophobicContact CD-CB 3.98Å; K74-Q387 VanDerWaalsContact CE-OE1 3.23Å
75G90.8Very high93.2Very high63 Ų6372.9 Ų72.965%0.64939%0.388SS*.Hα-helixtrans-66.2-25.2178.500000113.4R72 T73R72-G75 PolarHBondContact O-N 3.16Å; T73-G75 VanDerWaalsContact C-N 3.28Å; T73-G75 PolarHBondContact O-N 3.47Å
76D92.2Very high93.3Very high123 Ų12367.1 Ų67.166%0.65836%0.361SS*.Hα-helixtrans-81.9-17.3-176.8-61.1-32.5000113.3T73 K74 P78T73-D76 PolarHBondContact O-N 2.99Å; K74-D76 PolarHBondContact O-N 3.43Å; D76-P78 VanDerWaalsContact O-CD 3.29Å; D76-P78 WeakPolarHBondContact O-CD 3.48Å
77I91Very high93.4Very high41 Ų4163.9 Ų63.921%0.2134%0.344CS..  trans-86.9113.5-177.2-45.7176000109.7I79 A379I77-I79 HydrophobicContact CB-CD1 3.92Å; I77-I79 HydrophobicContact CB-CG1 4.06Å; I77-I79 HydrophobicContact CG2-CD1 3.93Å; I77-I79 HydrophobicContact CG2-CG1 3.53Å; I77-I79 WeakPolarHBondContact O-CD1 3.26Å; I77-I79 PolarHBondContact O-N 3.28Å; I77-A379 HydrophobicContact CG2-CB 4.42Å
78P92.2Very high93.5Very high87 Ų8767.1 Ų67.157%0.56537%0.368SS*.  trans-81.359.7-174.935.4-38000112.3D76 S80 F81 L82D76-P78 VanDerWaalsContact O-CD 3.29Å; D76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-S80 PolarHBondContact O-N 3.47Å; P78-F81 HydrophobicContact CB-CB 4.45Å; P78-F81 PolarHBondContact O-N 2.78Å; P78-L82 PolarHBondContact O-N 3.11Å
79I92.6Very high93.6Very high8 Ų863.5 Ų63.54%0.04136%0.36CS..Hα-helixtrans-66.6-41-168.4-59.8132000111.8I77 F81 L82 L83 V380 Y383 L420I77-I79 HydrophobicContact CB-CD1 3.92Å; I77-I79 HydrophobicContact CB-CG1 4.06Å; I77-I79 HydrophobicContact CG2-CD1 3.93Å; I77-I79 HydrophobicContact CG2-CG1 3.53Å; I77-I79 WeakPolarHBondContact O-CD1 3.26Å; I77-I79 PolarHBondContact O-N 3.28Å; I79-F81 PolarHBondContact O-N 3.17Å; I79-L82 PolarHBondContact O-N 2.82Å; I79-L83 HydrophobicContact CG2-CB 4.3Å; I79-L83 HydrophobicContact CG2-CD2 4.49Å; I79-L83 WeakPolarHBondContact O-CA 3.27Å; I79-L83 WeakPolarHBondContact O-CB 3.2Å; I79-L83 PolarHBondContact O-N 2.87Å; I79-V380 HydrophobicContact CG2-CG2 3.94Å; I79-Y383 HydrophobicContact CD1-CD1 4.08Å; I79-Y383 HydrophobicContact CD1-CD2 2.88Å; I79-Y383 HydrophobicContact CD1-CE2 3.52Å; I79-Y383 HydrophobicContact CD1-CG 3.16Å; I79-Y383 HydrophobicContact CG1-CD2 4.31Å; I79-Y383 HydrophobicContact CG1-CG 4.32Å; I79-L420 HydrophobicContact CG2-CD2 4.05Å
80S92.1Very high93.6Very high99 Ų9957.3 Ų57.369%0.69233%0.333SS*.Hα-helixtrans-58.1-39.4179.6-54.90000111.6P78 G84P78-S80 PolarHBondContact O-N 3.47Å; S80-G84 PolarHBondContact O-N 3.49Å
81F93.6Very high93.6Very high137 Ų13760 Ų6060%0.60135%0.346SS*.Hα-helixtrans-69.1-58.4176.2-179.1-90.4000110.4P78 I79 L83 G84 F85P78-F81 HydrophobicContact CB-CB 4.45Å; P78-F81 PolarHBondContact O-N 2.78Å; I79-F81 PolarHBondContact O-N 3.17Å; F81-L83 PolarHBondContact O-N 2.87Å; F81-G84 PolarHBondContact O-N 3.25Å; F81-G84 VanDerWaalsContact O-N 3.12Å; F81-F85 AromaticContact CD1-CD2 3.91Å; F81-F85 HydrophobicContact CD1-CD2 3.91Å; F81-F85 HydrophobicContact CD1-CE2 4.07Å; F81-F85 HydrophobicContact CD2-CD2 4.15Å; F81-F85 AromaticContact CD2-CE2 3.6Å; F81-F85 HydrophobicContact CD2-CE2 3.6Å; F81-F85 AromaticContact CE1-CD2 3.71Å; F81-F85 HydrophobicContact CE1-CD2 3.71Å; F81-F85 AromaticContact CE1-CE2 3.66Å; F81-F85 HydrophobicContact CE1-CE2 3.66Å; F81-F85 HydrophobicContact CE2-CD2 4.01Å; F81-F85 AromaticContact CE2-CE2 3.18Å; F81-F85 HydrophobicContact CE2-CE2 3.18Å; F81-F85 AromaticContact CE2-CZ 3.95Å; F81-F85 HydrophobicContact CE2-CZ 3.95Å; F81-F85 HydrophobicContact CG-CD2 4.12Å; F81-F85 HydrophobicContact CG-CE2 4.04Å; F81-F85 AromaticContact CZ-CD2 3.76Å; F81-F85 HydrophobicContact CZ-CD2 3.76Å; F81-F85 AromaticContact CZ-CE2 3.19Å; F81-F85 HydrophobicContact CZ-CE2 3.19Å; F81-F85 AromaticContact CZ-CZ 3.89Å; F81-F85 HydrophobicContact CZ-CZ 3.89Å; F81-F85 VanDerWaalsContact O-CD2 3.29Å; F81-F85 WeakPolarHBondContact O-CD2 3.32Å; F81-F85 PolarHBondContact O-N 2.67Å
82L94Very high93.8Very high46 Ų4659.9 Ų59.924%0.24135%0.349CS..Hα-helixtrans-56.9-47.8-176.5-178.771.3000112.2P78 I79 F86 V375 V376 A379P78-L82 PolarHBondContact O-N 3.11Å; I79-L82 PolarHBondContact O-N 2.82Å; L82-F86 PolarHBondContact O-N 3.39Å; L82-F86 VanDerWaalsContact O-N 3.09Å; L82-V375 HydrophobicContact CD1-CG1 4.36Å; L82-V375 HydrophobicContact CD2-CG1 4.28Å; L82-V376 HydrophobicContact CD1-CG2 4.33Å; L82-V376 HydrophobicContact CD2-CG2 4.34Å; L82-V376 HydrophobicContact CG-CG2 4.04Å; L82-A379 HydrophobicContact CD2-CB 3.38Å
83L95.6Very high93.7Very high3 Ų354.3 Ų54.32%0.01633%0.328CS..Hα-helixtrans-67.2-39.2179-171.663.7000111.1I79 F81 F86 V87 V376 V380 L420 W423 L424I79-L83 HydrophobicContact CG2-CB 4.3Å; I79-L83 HydrophobicContact CG2-CD2 4.49Å; I79-L83 WeakPolarHBondContact O-CA 3.27Å; I79-L83 WeakPolarHBondContact O-CB 3.2Å; I79-L83 PolarHBondContact O-N 2.87Å; F81-L83 PolarHBondContact O-N 2.87Å; L83-F86 HydrophobicContact CD1-CD1 4.47Å; L83-F86 PolarHBondContact O-N 3.02Å; L83-V87 HydrophobicContact CD1-CG2 4.14Å; L83-V87 HydrophobicContact CG-CG2 4.21Å; L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.91Å; L83-V376 HydrophobicContact CD1-CG1 3.66Å; L83-V380 HydrophobicContact CD1-CG2 4.15Å; L83-V380 HydrophobicContact CD2-CG2 4.42Å; L83-L420 HydrophobicContact CD2-CD2 4.15Å; L83-L420 WeakPolarHBondContact CD2-O 3.42Å; L83-W423 HydrophobicContact CD2-CB 4.03Å; L83-W423 HydrophobicContact CD2-CG 4.36Å; L83-L424 HydrophobicContact CD1-CB 3.92Å; L83-L424 HydrophobicContact CD1-CD1 4.05Å
84G94.9Very high93.8Very high30 Ų3055.7 Ų55.731%0.30933%0.329SS..Hα-helixtrans-57.8-48.9175.700000112.9S80 F81 S88S80-G84 PolarHBondContact O-N 3.49Å; F81-G84 PolarHBondContact O-N 3.25Å; F81-G84 VanDerWaalsContact O-N 3.12Å; G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.29Å; G84-S88 PolarHBondContact O-N 3.33Å
85F95.1Very high94Very high123 Ų12359.3 Ų59.354%0.53934%0.342SS..Hα-helixtrans-61.9-43.9175.5-82.7-80.6000112.1F81 S88 G89F81-F85 AromaticContact CD1-CD2 3.91Å; F81-F85 HydrophobicContact CD1-CD2 3.91Å; F81-F85 HydrophobicContact CD1-CE2 4.07Å; F81-F85 HydrophobicContact CD2-CD2 4.15Å; F81-F85 AromaticContact CD2-CE2 3.6Å; F81-F85 HydrophobicContact CD2-CE2 3.6Å; F81-F85 AromaticContact CE1-CD2 3.71Å; F81-F85 HydrophobicContact CE1-CD2 3.71Å; F81-F85 AromaticContact CE1-CE2 3.66Å; F81-F85 HydrophobicContact CE1-CE2 3.66Å; F81-F85 HydrophobicContact CE2-CD2 4.01Å; F81-F85 AromaticContact CE2-CE2 3.18Å; F81-F85 HydrophobicContact CE2-CE2 3.18Å; F81-F85 AromaticContact CE2-CZ 3.95Å; F81-F85 HydrophobicContact CE2-CZ 3.95Å; F81-F85 HydrophobicContact CG-CD2 4.12Å; F81-F85 HydrophobicContact CG-CE2 4.04Å; F81-F85 AromaticContact CZ-CD2 3.76Å; F81-F85 HydrophobicContact CZ-CD2 3.76Å; F81-F85 AromaticContact CZ-CE2 3.19Å; F81-F85 HydrophobicContact CZ-CE2 3.19Å; F81-F85 AromaticContact CZ-CZ 3.89Å; F81-F85 HydrophobicContact CZ-CZ 3.89Å; F81-F85 VanDerWaalsContact O-CD2 3.29Å; F81-F85 WeakPolarHBondContact O-CD2 3.32Å; F81-F85 PolarHBondContact O-N 2.67Å; F85-S88 PolarHBondContact O-N 2.88Å; F85-G89 PolarHBondContact O-N 2.83Å
86F95.9Very high94.1Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-58.5-57.2178178.7-105.2000111.5L82 L83 S88 G89 I90 Y372 T373 V376 L424 A427 L428 M431L82-F86 PolarHBondContact O-N 3.39Å; L82-F86 VanDerWaalsContact O-N 3.09Å; L83-F86 HydrophobicContact CD1-CD1 4.47Å; L83-F86 PolarHBondContact O-N 3.02Å; F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; F86-G89 PolarHBondContact O-N 3.18Å; F86-G89 VanDerWaalsContact O-N 3.15Å; F86-I90 HydrophobicContact CD1-CG1 4.35Å; F86-I90 HydrophobicContact CD2-CD1 4.44Å; F86-I90 HydrophobicContact CE1-CG1 4.03Å; F86-I90 HydrophobicContact CE2-CD1 3.92Å; F86-I90 HydrophobicContact CE2-CG1 4.2Å; F86-I90 HydrophobicContact CZ-CD1 4Å; F86-I90 HydrophobicContact CZ-CG1 3.95Å; F86-I90 WeakPolarHBondContact O-CG1 3.3Å; F86-I90 PolarHBondContact O-N 2.88Å; F86-Y372 VanDerWaalsContact CA-OH 3.26Å; F86-Y372 WeakPolarHBondContact CA-OH 3.16Å; F86-Y372 HydrophobicContact CB-CE1 4.4Å; F86-Y372 AromaticContact CD2-CD1 3.65Å; F86-Y372 HydrophobicContact CD2-CD1 3.65Å; F86-Y372 AromaticContact CD2-CE1 3.39Å; F86-Y372 HydrophobicContact CD2-CE1 3.39Å; F86-Y372 HydrophobicContact CD2-CG 4.43Å; F86-Y372 AromaticContact CD2-CZ 3.95Å; F86-Y372 AromaticContact CE2-CD1 3.95Å; F86-Y372 HydrophobicContact CE2-CD1 3.95Å; F86-Y372 HydrophobicContact CE2-CE1 4.11Å; F86-Y372 HydrophobicContact CG-CE1 4.34Å; F86-Y372 PolarHBondContact N-OH 3.06Å; F86-T373 HydrophobicContact CZ-CG2 4.31Å; F86-V376 HydrophobicContact CB-CB 4.44Å; F86-V376 HydrophobicContact CB-CG1 4.06Å; F86-V376 HydrophobicContact CB-CG2 3.69Å; F86-V376 HydrophobicContact CD1-CB 4.45Å; F86-V376 HydrophobicContact CD1-CG1 3.89Å; F86-V376 HydrophobicContact CD1-CG2 4.48Å; F86-V376 HydrophobicContact CD2-CB 4.28Å; F86-V376 HydrophobicContact CD2-CG2 3.7Å; F86-V376 HydrophobicContact CE1-CG1 4.48Å; F86-V376 HydrophobicContact CE2-CG2 4.47Å; F86-V376 HydrophobicContact CG-CB 4.15Å; F86-V376 HydrophobicContact CG-CG1 3.91Å; F86-V376 HydrophobicContact CG-CG2 3.71Å; F86-L424 HydrophobicContact CD1-CD1 4.5Å; F86-L424 HydrophobicContact CE1-CD1 4.13Å; F86-A427 HydrophobicContact CD1-CB 3.98Å; F86-A427 HydrophobicContact CE1-CB 3.68Å; F86-L428 HydrophobicContact CZ-CD2 4.4Å; F86-M431 HydrophobicContact CE2-CE 4.32Å; F86-M431 HydrophobicContact CZ-CE 3.74Å
87V95.8Very high94.2Very high3 Ų353.4 Ų53.42%0.01829%0.294CS..Hα-helixtrans-60.3-42.4-177.91790000111.2L83 G89 I90 I91 W423 A427L83-V87 HydrophobicContact CD1-CG2 4.14Å; L83-V87 HydrophobicContact CG-CG2 4.21Å; L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.91Å; V87-G89 VanDerWaalsContact C-N 3.32Å; V87-G89 PolarHBondContact O-N 3Å; V87-I90 PolarHBondContact O-N 3.45Å; V87-I91 HydrophobicContact CG1-CG1 3.9Å; V87-I91 WeakPolarHBondContact O-CB 3.38Å; V87-I91 VanDerWaalsContact O-CG1 3.28Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 3.23Å; V87-W423 HydrophobicContact CB-CZ2 4.43Å; V87-W423 HydrophobicContact CG1-CD2 4.26Å; V87-W423 HydrophobicContact CG1-CH2 4.44Å; V87-W423 HydrophobicContact CG1-CZ2 3.72Å; V87-W423 VanDerWaalsContact CG2-CD1 3.44Å; V87-W423 HydrophobicContact CG2-CD2 4.39Å; V87-W423 HydrophobicContact CG2-CG 4.01Å; V87-A427 HydrophobicContact CB-CB 4.19Å; V87-A427 HydrophobicContact CG1-CB 4.22Å; V87-A427 HydrophobicContact CG2-CB 3.66Å
88S96.1Very high94.3Very high81 Ų8156 Ų5657%0.56630%0.302SS*.Hα-helixtrans-58-44.4177.2-1770000112.2G84 F85 F86 S92G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.29Å; G84-S88 PolarHBondContact O-N 3.33Å; F85-S88 PolarHBondContact O-N 2.88Å; F86-S88 VanDerWaalsContact C-N 3.31Å; F86-S88 PolarHBondContact O-N 3.42Å; S88-S92 WeakPolarHBondContact O-CB 3.25Å; S88-S92 PolarHBondContact O-N 3.05Å
89G94.5Very high94.5Very high36 Ų3656 Ų5637%0.37130%0.296SS..Hα-helixtrans-62.1-44.117600000113F85 F86 V87 R93F85-G89 PolarHBondContact O-N 2.83Å; F86-G89 PolarHBondContact O-N 3.18Å; F86-G89 VanDerWaalsContact O-N 3.15Å; V87-G89 VanDerWaalsContact C-N 3.32Å; V87-G89 PolarHBondContact O-N 3Å; G89-R93 PolarHBondContact O-N 3.23Å; G89-R93 VanDerWaalsContact O-N 3.17Å
90I94.9Very high94.6Very high3 Ų358.4 Ų58.42%0.01531%0.305CS..Hα-helixtrans-65.2-48178.7-51.8-49.8000111.3F86 V87 S92 R93 W94 I368 A427 V430 M431F86-I90 HydrophobicContact CD1-CG1 4.35Å; F86-I90 HydrophobicContact CD2-CD1 4.44Å; F86-I90 HydrophobicContact CE1-CG1 4.03Å; F86-I90 HydrophobicContact CE2-CD1 3.92Å; F86-I90 HydrophobicContact CE2-CG1 4.2Å; F86-I90 HydrophobicContact CZ-CD1 4Å; F86-I90 HydrophobicContact CZ-CG1 3.95Å; F86-I90 WeakPolarHBondContact O-CG1 3.3Å; F86-I90 PolarHBondContact O-N 2.88Å; V87-I90 PolarHBondContact O-N 3.45Å; I90-S92 VanDerWaalsContact C-N 3.32Å; I90-S92 PolarHBondContact O-N 2.62Å; I90-R93 WeakPolarHBondContact O-CB 3.35Å; I90-R93 PolarHBondContact O-N 3.39Å; I90-R93 VanDerWaalsContact O-N 3.16Å; I90-W94 PolarHBondContact O-N 3.14Å; I90-I368 HydrophobicContact CD1-CD1 3.05Å; I90-A427 HydrophobicContact CB-CB 4.3Å; I90-A427 HydrophobicContact CG1-CB 4.02Å; I90-A427 WeakPolarHBondContact CG2-O 3.47Å; I90-V430 HydrophobicContact CG2-CG2 3.63Å; I90-M431 HydrophobicContact CD1-CE 3.79Å; I90-M431 HydrophobicContact CG1-CE 4.4Å; I90-M431 HydrophobicContact CG2-CB 4.4Å
91I94.8Very high94.8Very high66 Ų6653.9 Ų53.934%0.33827%0.273SS..Hα-helixtrans-64.1-39.2-177.6-65.5-67.1000111.1V87 R93 W94 Y95 V430V87-I91 HydrophobicContact CG1-CG1 3.9Å; V87-I91 WeakPolarHBondContact O-CB 3.38Å; V87-I91 VanDerWaalsContact O-CG1 3.28Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 3.23Å; I91-R93 VanDerWaalsContact C-N 3.33Å; I91-R93 PolarHBondContact O-N 2.92Å; I91-W94 PolarHBondContact O-N 3.14Å; I91-Y95 PolarHBondContact O-N 2.83Å; I91-V430 HydrophobicContact CD1-CG2 3.75Å
92S95.6Very high94.8Very high66 Ų6647.7 Ų47.746%0.46225%0.247SC..Hα-helixtrans-58.6-46.6174-175.60000111.3S88 I90 Y95 Q96S88-S92 WeakPolarHBondContact O-CB 3.25Å; S88-S92 PolarHBondContact O-N 3.05Å; I90-S92 VanDerWaalsContact C-N 3.32Å; I90-S92 PolarHBondContact O-N 2.62Å; S92-Y95 PolarHBondContact O-N 2.98Å; S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-N 3.43Å
93R92.7Very high94.9Very high41 Ų4150.3 Ų50.316%0.15525%0.253CS..Hα-helixtrans-65-41.5177.7-178.9177.715994.1-4.9112.6G89 I90 I91 Y95 Q96 M97 Y363 I366G89-R93 PolarHBondContact O-N 3.23Å; G89-R93 VanDerWaalsContact O-N 3.17Å; I90-R93 WeakPolarHBondContact O-CB 3.35Å; I90-R93 PolarHBondContact O-N 3.39Å; I90-R93 VanDerWaalsContact O-N 3.16Å; I91-R93 VanDerWaalsContact C-N 3.33Å; I91-R93 PolarHBondContact O-N 2.92Å; R93-Y95 VanDerWaalsContact C-N 3.3Å; R93-Y95 PolarHBondContact O-N 2.81Å; R93-Q96 PolarHBondContact O-N 3.21Å; R93-M97 HydrophobicContact CG-CE 4Å; R93-M97 VanDerWaalsContact CZ-CE 3.41Å; R93-M97 VanDerWaalsContact NE-CE 3.33Å; R93-M97 VanDerWaalsContact NH2-CE 3.27Å; R93-M97 WeakPolarHBondContact O-CG 3.27Å; R93-M97 PolarHBondContact O-N 3.28Å; R93-Y363 HydrophobicContact CG-CD1 3.99Å; R93-Y363 HydrophobicContact CG-CE1 4.19Å; R93-Y363 PolarHBondContact NH1-O 3.34Å; R93-Y363 PolarHBondContact NH2-O 2.94Å; R93-I366 VanDerWaalsContact CZ-O 3.26Å; R93-I366 PolarHBondContact NH1-O 3.47Å; R93-I366 VanDerWaalsContact NH1-O 3.15Å; R93-I366 PolarHBondContact NH2-O 2.87Å
94W94Very high94.9Very high69 Ų6950.1 Ų50.126%0.26125%0.253SS..Hα-helixtrans-57.5-44.2174.1177.691.7000111.3I90 I91 Q96 M97 Y98 V430 F441I90-W94 PolarHBondContact O-N 3.14Å; I91-W94 PolarHBondContact O-N 3.14Å; W94-Q96 PolarHBondContact O-N 3.24Å; W94-M97 PolarHBondContact O-N 2.83Å; W94-Y98 PolarHBondContact O-N 3.18Å; W94-V430 HydrophobicContact CB-CB 4.48Å; W94-V430 HydrophobicContact CG-CB 4.12Å; W94-F441 HydrophobicContact CD2-CE1 4.41Å; W94-F441 HydrophobicContact CD2-CZ 4.25Å; W94-F441 AromaticContact CE2-CE1 3.55Å; W94-F441 AromaticContact CE2-CZ 3.76Å; W94-F441 HydrophobicContact CH2-CE1 4.15Å; W94-F441 HydrophobicContact CZ2-CD1 4.33Å; W94-F441 AromaticContact CZ2-CE1 3.42Å; W94-F441 HydrophobicContact CZ2-CE1 3.42Å; W94-F441 VanDerWaalsContact CZ2-CE1 3.42Å; W94-F441 HydrophobicContact CZ2-CZ 4.09Å; W94-F441 AromaticContact NE1-CE1 3.71Å; W94-F441 AromaticContact NE1-CZ 3.72Å
95Y95.2Very high95Very high121 Ų12150.9 Ų50.948%0.47525%0.249SC..Hα-helixtrans-64.8-40176.9-171.5-106.7000112.4I91 S92 R93 M97 Y98 L99I91-Y95 PolarHBondContact O-N 2.83Å; S92-Y95 PolarHBondContact O-N 2.98Å; R93-Y95 VanDerWaalsContact C-N 3.3Å; R93-Y95 PolarHBondContact O-N 2.81Å; Y95-M97 PolarHBondContact O-N 3.37Å; Y95-Y98 WeakPolarHBondContact O-CB 3.12Å; Y95-Y98 PolarHBondContact O-N 3.38Å; Y95-L99 HydrophobicContact CD1-CD1 3.79Å; Y95-L99 HydrophobicContact CD1-CG 4.24Å; Y95-L99 HydrophobicContact CE1-CD1 3.42Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.42Å; Y95-L99 HydrophobicContact CE1-CD2 4.33Å; Y95-L99 HydrophobicContact CE1-CG 3.95Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.45Å
96Q93.7Very high95Very high57 Ų5751.2 Ų51.227%0.26625%0.253SS..Hα-helixtrans-62.2-42.7174.5-66.7-56.9-28.300112S92 R93 W94 Y98 L99 Y100 Y363S92-Q96 WeakPolarHBondContact O-CG 3.43Å; S92-Q96 PolarHBondContact O-N 3.43Å; R93-Q96 PolarHBondContact O-N 3.21Å; W94-Q96 PolarHBondContact O-N 3.24Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.21Å; Q96-L99 PolarHBondContact O-N 2.94Å; Q96-Y100 HydrophobicContact CB-CE2 4.17Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.39Å; Q96-Y100 PolarHBondContact O-N 2.94Å; Q96-Y100 VanDerWaalsContact O-N 3.09Å; Q96-Y363 HydrophobicContact CB-CE1 3.9Å; Q96-Y363 HydrophobicContact CG-CE1 4.5Å
97M93.7Very high95.1Very high5 Ų551.5 Ų51.53%0.02525%0.254CS..Hα-helixtrans-59.5-42.7175-70.2177.5-178.700111.6R93 W94 Y95 Y100 I101 L360 Y363 P433 F434 F441R93-M97 HydrophobicContact CG-CE 4Å; R93-M97 VanDerWaalsContact CZ-CE 3.41Å; R93-M97 VanDerWaalsContact NE-CE 3.33Å; R93-M97 VanDerWaalsContact NH2-CE 3.27Å; R93-M97 WeakPolarHBondContact O-CG 3.27Å; R93-M97 PolarHBondContact O-N 3.28Å; W94-M97 PolarHBondContact O-N 2.83Å; Y95-M97 PolarHBondContact O-N 3.37Å; M97-Y100 PolarHBondContact O-N 2.84Å; M97-I101 PolarHBondContact O-N 2.99Å; M97-L360 HydrophobicContact CB-CD1 4.19Å; M97-L360 WeakPolarHBondContact O-CD1 3.46Å; M97-Y363 HydrophobicContact CE-CD1 4.39Å; M97-Y363 HydrophobicContact CG-CD1 4.29Å; M97-Y363 HydrophobicContact CG-CG 4.42Å; M97-P433 HydrophobicContact SD-CG 3.55Å; M97-P433 VanDerWaalsContact SD-CG 3.55Å; M97-F434 HydrophobicContact CB-CE2 4.39Å; M97-F434 HydrophobicContact SD-CE2 4.07Å; M97-F441 HydrophobicContact CB-CE2 4.15Å
98Y94Very high95.1Very high96 Ų9651.4 Ų51.438%0.37625%0.253SS..Hα-helixtrans-58.6-47.1175.4176.7-103.3000112.2W94 Y95 Q96 Y100 I101 F441W94-Y98 PolarHBondContact O-N 3.18Å; Y95-Y98 WeakPolarHBondContact O-CB 3.12Å; Y95-Y98 PolarHBondContact O-N 3.38Å; Q96-Y98 VanDerWaalsContact C-N 3.3Å; Q96-Y98 PolarHBondContact O-N 3.21Å; Y98-Y100 VanDerWaalsContact C-N 3.29Å; Y98-Y100 PolarHBondContact O-N 3.33Å; Y98-I101 WeakPolarHBondContact O-CB 3.47Å; Y98-I101 PolarHBondContact O-N 2.98Å; Y98-F441 HydrophobicContact CD2-CD1 4.31Å; Y98-F441 AromaticContact CD2-CE1 3.81Å; Y98-F441 HydrophobicContact CD2-CE1 3.81Å; Y98-F441 HydrophobicContact CD2-CZ 4.22Å; Y98-F441 HydrophobicContact CG-CE1 4.34Å; Y98-F441 HydrophobicContact CG-CZ 4.41Å
99L94.9Very high95.1Very high87 Ų8752.7 Ų52.746%0.45525%0.253SS..Hα-helixtrans-66.1-28.2-179-69.7179.8000113.7Y95 Q96 I101Y95-L99 HydrophobicContact CD1-CD1 3.79Å; Y95-L99 HydrophobicContact CD1-CG 4.24Å; Y95-L99 HydrophobicContact CE1-CD1 3.42Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.42Å; Y95-L99 HydrophobicContact CE1-CD2 4.33Å; Y95-L99 HydrophobicContact CE1-CG 3.95Å; Y95-L99 WeakPolarHBondContact O-CG 3.35Å; Y95-L99 PolarHBondContact O-N 3.45Å; Q96-L99 PolarHBondContact O-N 2.94Å; L99-I101 VanDerWaalsContact C-N 3.33Å
100Y95.1Very high95.1Very high57 Ų5752.6 Ų52.622%0.22424%0.244CC..THydrogen-bonded Turntrans-83.2-3.8177.4-67.7-50.4000114.2Q96 M97 Y98 P102 S356 N359 Y363Q96-Y100 HydrophobicContact CB-CE2 4.17Å; Q96-Y100 WeakPolarHBondContact O-CD2 3.39Å; Q96-Y100 PolarHBondContact O-N 2.94Å; Q96-Y100 VanDerWaalsContact O-N 3.09Å; M97-Y100 PolarHBondContact O-N 2.84Å; Y98-Y100 VanDerWaalsContact C-N 3.29Å; Y98-Y100 PolarHBondContact O-N 3.33Å; Y100-P102 WeakPolarHBondContact O-CD 3.33Å; Y100-S356 WeakPolarHBondContact O-CB 2.89Å; Y100-N359 HydrophobicContact CD1-CB 3.76Å; Y100-N359 HydrophobicContact CD2-CB 3.96Å; Y100-N359 HydrophobicContact CE1-CB 3.97Å; Y100-N359 WeakPolarHBondContact CE1-ND2 3.45Å; Y100-N359 HydrophobicContact CE2-CB 4.16Å; Y100-N359 HydrophobicContact CG-CB 3.77Å; Y100-Y363 HydrophobicContact CD2-CD2 4.01Å; Y100-Y363 AromaticContact CD2-CE2 4Å; Y100-Y363 HydrophobicContact CD2-CE2 4Å; Y100-Y363 AromaticContact CE2-CD2 3.87Å; Y100-Y363 HydrophobicContact CE2-CD2 3.87Å; Y100-Y363 AromaticContact CE2-CE2 3.37Å; Y100-Y363 HydrophobicContact CE2-CE2 3.37Å; Y100-Y363 AromaticContact CE2-CZ 3.95Å
101I96.3Very high95.2Very high4 Ų452.5 Ų52.52%0.02124%0.243CC..SBendtrans-66.1115171.7-65.3174.6000108.6M97 Y98 L99 W103 W138 L360 F434 F441 I446M97-I101 PolarHBondContact O-N 2.99Å; Y98-I101 WeakPolarHBondContact O-CB 3.47Å; Y98-I101 PolarHBondContact O-N 2.98Å; L99-I101 VanDerWaalsContact C-N 3.33Å; I101-W103 VanDerWaalsContact O-CD1 3.28Å; I101-W103 PolarHBondContact O-N 3.28Å; I101-W138 HydrophobicContact CG2-CH2 3.86Å; I101-W138 HydrophobicContact CG2-CZ2 4.13Å; I101-L360 HydrophobicContact CG1-CD2 4.24Å; I101-F434 HydrophobicContact CD1-CE1 4.49Å; I101-F441 HydrophobicContact CD1-CD2 3.75Å; I101-F441 HydrophobicContact CD1-CE2 4.11Å; I101-F441 HydrophobicContact CD1-CG 4.13Å; I101-I446 HydrophobicContact CD1-CD1 4.18Å; I101-I446 HydrophobicContact CG2-CD1 4.41Å; I101-I446 HydrophobicContact CG2-CG2 3.95Å
102P94.2Very high95.2Very high7 Ų750.7 Ų50.75%0.04524%0.238CC..  trans-72.412517930.8-34.5000111Y100 W138 V353 M357 N450Y100-P102 WeakPolarHBondContact O-CD 3.33Å; P102-W138 HydrophobicContact CG-CD2 4.33Å; P102-W138 HydrophobicContact CG-CE3 3.56Å; P102-W138 HydrophobicContact CG-CH2 4.3Å; P102-W138 HydrophobicContact CG-CZ3 3.54Å; P102-V353 HydrophobicContact CB-CG1 3.94Å; P102-M357 HydrophobicContact CG-CE 3.97Å; P102-M357 HydrophobicContact CG-CG 3.89Å; P102-N450 PolarHBondContact O-ND2 2.87Å; P102-N450 VanDerWaalsContact O-ND2 3.12Å
103W95.5Very high95Very high101 Ų10151.2 Ų51.238%0.38324%0.241SC..  trans-93.9134.3168.5-6088.8000109.4I101 N105 I446 Y449I101-W103 VanDerWaalsContact O-CD1 3.28Å; I101-W103 PolarHBondContact O-N 3.28Å; W103-N105 PolarHBondContact O-N 3.26Å; W103-I446 HydrophobicContact CH2-CG1 4.22Å; W103-I446 HydrophobicContact CZ3-CG2 4.39Å; W103-Y449 AromaticContact CE3-CD1 3.66Å; W103-Y449 HydrophobicContact CE3-CD1 3.66Å; W103-Y449 AromaticContact CE3-CE1 3.6Å; W103-Y449 HydrophobicContact CE3-CE1 3.6Å; W103-Y449 AromaticContact CZ3-CD1 3.67Å; W103-Y449 HydrophobicContact CZ3-CD1 3.67Å; W103-Y449 AromaticContact CZ3-CE1 3.89Å; W103-Y449 HydrophobicContact CZ3-CE1 3.89Å; W103-Y449 HydrophobicContact CZ3-CG 4.38Å
104M97Very high95Very high0 Ų049.7 Ų49.70%024%0.237CC..SBendtrans-80.5-2.9-175.1-65.6-61.8171.900114I107 A108 M131 M134 W138 V353 M357 N450 V453 S454M104-I107 HydrophobicContact CB-CG2 4.37Å; M104-I107 VanDerWaalsContact O-CG2 3.24Å; M104-I107 WeakPolarHBondContact O-CG2 3.44Å; M104-I107 HydrophobicContact SD-CG2 3.91Å; M104-A108 WeakPolarHBondContact O-CB 3.46Å; M104-A108 PolarHBondContact O-N 2.88Å; M104-M131 HydrophobicContact CB-CE 3.98Å; M104-M131 HydrophobicContact CG-CE 4.39Å; M104-M131 HydrophobicContact SD-CE 4.3Å; M104-M134 HydrophobicContact CE-CB 4.3Å; M104-M134 WeakPolarHBondContact CE-O 3.05Å; M104-M134 HydrophobicContact SD-CB 4.1Å; M104-W138 HydrophobicContact CE-CB 3.9Å; M104-W138 HydrophobicContact CE-CG 4.43Å; M104-V353 HydrophobicContact CE-CG1 4.3Å; M104-M357 HydrophobicContact CE-CE 3.88Å; M104-N450 HydrophobicContact CB-CB 4.29Å; M104-N450 HydrophobicContact CG-CB 3.84Å; M104-N450 PolarHBondContact N-OD1 3.25Å; M104-V453 HydrophobicContact CB-CG1 4.32Å; M104-S454 WeakPolarHBondContact CB-OG 3.46Å
105N95.9Very high95Very high45 Ų4546.4 Ų46.424%0.24123%0.225CC..Hα-helixtrans-55.4-57.8-177.1-61.8-30.8000113.2W103 I107 A108 L109 Y449 V453W103-N105 PolarHBondContact O-N 3.26Å; N105-I107 PolarHBondContact O-N 3.3Å; N105-A108 PolarHBondContact O-N 2.88Å; N105-L109 WeakPolarHBondContact O-CG 3.33Å; N105-L109 PolarHBondContact O-N 2.79Å; N105-Y449 PolarHBondContact ND2-OH 3.22Å; N105-Y449 WeakPolarHBondContact OD1-CE1 3.09Å; N105-Y449 PolarHBondContact OD1-OH 3.47Å; N105-V453 VanDerWaalsContact OD1-CG1 3.26Å; N105-V453 WeakPolarHBondContact OD1-CG1 3.38Å; N105-V453 WeakPolarHBondContact OD1-CG2 3.22Å
106Q95.3Very high94.7Very high131 Ų13142.3 Ų42.361%0.61221%0.211SC*.Hα-helixtrans-65.1-44.4-172.4-178.4176.9-6.700111.4Q110Q106-Q110 WeakPolarHBondContact O-CB 3.43Å; Q106-Q110 PolarHBondContact O-N 3.2Å
107I97.2Very high94.3Very high6 Ų639.9 Ų39.93%0.03120%0.2CC..Hα-helixtrans-68.8-38.4179.5-172.9166.6000111.7M104 N105 Q110 I111 M131 M134 I350 V353M104-I107 HydrophobicContact CB-CG2 4.37Å; M104-I107 VanDerWaalsContact O-CG2 3.24Å; M104-I107 WeakPolarHBondContact O-CG2 3.44Å; M104-I107 HydrophobicContact SD-CG2 3.91Å; N105-I107 PolarHBondContact O-N 3.3Å; I107-Q110 PolarHBondContact O-N 3.39Å; I107-I111 HydrophobicContact CD1-CD1 4.35Å; I107-I111 HydrophobicContact CG1-CD1 3.66Å; I107-I111 HydrophobicContact CG1-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CB 3.35Å; I107-I111 WeakPolarHBondContact O-CD1 3.42Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.16Å; I107-I111 PolarHBondContact O-N 2.88Å; I107-M131 HydrophobicContact CG2-CE 4.2Å; I107-M134 HydrophobicContact CD1-CE 3.69Å; I107-M134 HydrophobicContact CD1-CG 4.12Å; I107-M134 HydrophobicContact CD1-SD 4.29Å; I107-I350 HydrophobicContact CD1-CB 4.37Å; I107-I350 HydrophobicContact CD1-CG1 3.81Å; I107-V353 HydrophobicContact CB-CG2 4.28Å; I107-V353 HydrophobicContact CD1-CB 4.48Å; I107-V353 HydrophobicContact CD1-CG2 3.8Å; I107-V353 HydrophobicContact CG2-CG2 4.22Å
108A97.2Very high93.9Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-65.3-46.417800000111.9M104 N105 Q110 I111 A112 M131 V458M104-A108 WeakPolarHBondContact O-CB 3.46Å; M104-A108 PolarHBondContact O-N 2.88Å; N105-A108 PolarHBondContact O-N 2.88Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 3.3Å; A108-I111 PolarHBondContact O-N 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.38Å; A108-A112 PolarHBondContact O-N 3.3Å; A108-M131 HydrophobicContact CB-CE 3.8Å; A108-M131 HydrophobicContact CB-SD 4.02Å; A108-V458 HydrophobicContact CB-CG1 4.45Å
109L95.1Very high93.7Very high108 Ų10842.6 Ų42.657%0.56522%0.219SC*.Hα-helixtrans-62.5-40.8176.5-72.4173.2000112N105 A112 S113N105-L109 WeakPolarHBondContact O-CG 3.33Å; N105-L109 PolarHBondContact O-N 2.79Å; L109-A112 WeakPolarHBondContact O-CB 3.29Å; L109-A112 PolarHBondContact O-N 3.15Å; L109-S113 PolarHBondContact O-N 3.25Å; L109-S113 PolarHBondContact O-OG 3.33Å
110Q95.4Very high93.3Very high35 Ų3540.4 Ų40.416%0.16421%0.207CC..Hα-helixtrans-67.8-41.2177-177.5177.1-10.800112.4Q106 I107 A108 A112 S113 S114 Y345 N349Q106-Q110 WeakPolarHBondContact O-CB 3.43Å; Q106-Q110 PolarHBondContact O-N 3.2Å; I107-Q110 PolarHBondContact O-N 3.39Å; A108-Q110 VanDerWaalsContact C-N 3.33Å; A108-Q110 PolarHBondContact O-N 3.3Å; Q110-A112 VanDerWaalsContact C-N 3.27Å; Q110-A112 PolarHBondContact O-N 2.82Å; Q110-S113 PolarHBondContact O-N 3.44Å; Q110-S113 PolarHBondContact O-OG 3.11Å; Q110-S113 VanDerWaalsContact O-OG 3.1Å; Q110-S114 WeakPolarHBondContact O-CB 3.19Å; Q110-S114 PolarHBondContact O-N 2.94Å; Q110-S114 PolarHBondContact O-OG 3.21Å; Q110-Y345 PolarHBondContact NE2-O 3.2Å; Q110-N349 VanDerWaalsContact CD-ND2 3.32Å; Q110-N349 PolarHBondContact NE2-ND2 3.09Å; Q110-N349 VanDerWaalsContact OE1-CB 3.27Å; Q110-N349 PolarHBondContact OE1-ND2 3.18Å; Q110-N349 PolarHBondContact OE1-OD1 3.36Å
111I96.7Very high93Very high1 Ų143.9 Ų43.91%0.00523%0.225CC..Hα-helixtrans-63.7-37.6175-73.6163000110.5I107 A108 S114 I115 R127 I130 M131 T346 V458I107-I111 HydrophobicContact CD1-CD1 4.35Å; I107-I111 HydrophobicContact CG1-CD1 3.66Å; I107-I111 HydrophobicContact CG1-CG1 4.36Å; I107-I111 WeakPolarHBondContact O-CB 3.35Å; I107-I111 WeakPolarHBondContact O-CD1 3.42Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.16Å; I107-I111 PolarHBondContact O-N 2.88Å; A108-I111 PolarHBondContact O-N 3.28Å; I111-S114 PolarHBondContact O-N 3.4Å; I111-I115 HydrophobicContact CG2-CD1 4.09Å; I111-I115 PolarHBondContact O-N 2.83Å; I111-R127 HydrophobicContact CG2-CB 3.76Å; I111-R127 HydrophobicContact CG2-CG 3.77Å; I111-R127 WeakPolarHBondContact O-CD 3Å; I111-I130 HydrophobicContact CD1-CB 4.31Å; I111-I130 HydrophobicContact CD1-CG2 3.42Å; I111-I130 VanDerWaalsContact CD1-CG2 3.42Å; I111-I130 HydrophobicContact CG1-CG2 4.36Å; I111-M131 HydrophobicContact CD1-CG 4.43Å; I111-M131 HydrophobicContact CD1-SD 3.5Å; I111-M131 WeakPolarHBondContact CD1-SD 3.49Å; I111-T346 HydrophobicContact CG1-CG2 4.04Å; I111-V458 HydrophobicContact CG2-CG1 4.31Å
112A93.7Very high92.8Very high28 Ų2844.1 Ų44.123%0.23123%0.229CC..Hα-helixtrans-56.4-46.2172.700000112.6A108 L109 Q110 S457A108-A112 WeakPolarHBondContact O-CB 3.38Å; A108-A112 PolarHBondContact O-N 3.3Å; L109-A112 WeakPolarHBondContact O-CB 3.29Å; L109-A112 PolarHBondContact O-N 3.15Å; Q110-A112 VanDerWaalsContact C-N 3.27Å; Q110-A112 PolarHBondContact O-N 2.82Å; A112-S457 WeakPolarHBondContact CB-O 3.4Å
113S92Very high92.8Very high76 Ų7643.8 Ų43.853%0.53123%0.227SC..Hα-helixtrans-82.5-23.5-179.764.80000114.9L109 Q110 N116L109-S113 PolarHBondContact O-N 3.25Å; L109-S113 PolarHBondContact O-OG 3.33Å; Q110-S113 PolarHBondContact O-N 3.44Å; Q110-S113 PolarHBondContact O-OG 3.11Å; Q110-S113 VanDerWaalsContact O-OG 3.1Å; S113-N116 PolarHBondContact O-ND2 3.06Å
114S93.2Very high92.7Very high10 Ų1041.5 Ų41.57%0.0722%0.218CC..Hα-helixtrans-84.2-23.8-174.6-600000113.9Q110 I111 T346Q110-S114 WeakPolarHBondContact O-CB 3.19Å; Q110-S114 PolarHBondContact O-N 2.94Å; Q110-S114 PolarHBondContact O-OG 3.21Å; I111-S114 PolarHBondContact O-N 3.4Å; S114-T346 WeakPolarHBondContact CB-OG1 3.49Å; S114-T346 PolarHBondContact OG-OG1 3.21Å
115I93.5Very high92.6Very high0 Ų047.1 Ų47.10%024%0.242CC..SBendtrans-122.689.6-171.6-48.4-177.1000108.8I111 S123 I126 R127 I130 I337I111-I115 HydrophobicContact CG2-CD1 4.09Å; I111-I115 PolarHBondContact O-N 2.83Å; I115-S123 WeakPolarHBondContact O-CB 3.34Å; I115-I126 HydrophobicContact CD1-CG2 3.7Å; I115-I126 HydrophobicContact CG2-CB 4.25Å; I115-I126 HydrophobicContact CG2-CG2 4.01Å; I115-R127 HydrophobicContact CB-CG 3.85Å; I115-R127 HydrophobicContact CD1-CG 4.33Å; I115-R127 HydrophobicContact CG1-CG 4.5Å; I115-R127 HydrophobicContact CG2-CG 4.27Å; I115-R127 PolarHBondContact O-NH1 3.47Å; I115-I130 HydrophobicContact CD1-CD1 3.49Å; I115-I130 VanDerWaalsContact CD1-CD1 3.49Å; I115-I337 HydrophobicContact CG1-CD1 4.19Å; I115-I337 HydrophobicContact CG1-CG1 4.1Å
116N89.1Confident92.7Very high35 Ų3546.2 Ų46.219%0.18724%0.237CC..  trans-149.1-3.7-173.950.610.9000114.4S113 Y336 P472S113-N116 PolarHBondContact O-ND2 3.06Å; N116-Y336 PolarHBondContact N-O 3.05Å; N116-P472 HydrophobicContact CB-CG 4.24Å; N116-P472 WeakPolarHBondContact ND2-CG 3.26Å
117A84.5Confident92.8Very high5 Ų540.7 Ų40.74%0.04121%0.211CC..SBendtrans-72.9-50.5-162.900000116.4Y336 D338 G474A117-Y336 WeakPolarHBondContact CB-O 3.35Å; A117-Y336 PolarHBondContact N-O 2.89Å; A117-D338 HydrophobicContact CB-CB 4.4Å; A117-D338 WeakPolarHBondContact CB-OD1 3.49Å; A117-D338 VanDerWaalsContact CB-OD2 3.25Å; A117-D338 WeakPolarHBondContact CB-OD2 3.49Å; A117-G474 PolarHBondContact O-N 2.76Å
118K86.6Confident92.8Very high118 Ų11842.2 Ų42.251%0.51322%0.219SC..SBendtrans-87-54-165.6-176.6175.5-171.31740114.6S334 G335 Y336 M473K118-S334 WeakPolarHBondContact CD-O 3.32Å; K118-S334 PolarHBondContact NZ-O 3.44Å; K118-G335 WeakPolarHBondContact CB-O 3.42Å; K118-Y336 HydrophobicContact CB-CD1 3.78Å; K118-Y336 HydrophobicContact CB-CE1 3.93Å; K118-Y336 HydrophobicContact CB-CG 4.29Å; K118-Y336 HydrophobicContact CD-CE1 4.2Å; K118-Y336 HydrophobicContact CD-CE2 4.22Å; K118-Y336 HydrophobicContact CG-CE1 4.37Å; K118-M473 WeakPolarHBondContact O-CE 3.03Å
119S88.3Confident92.8Very high41 Ų4144 Ų4429%0.28723%0.229SC..  trans-152.8132.8179.667.70000109.5E121 G122 S123S119-E121 VanDerWaalsContact C-N 3.34Å; S119-E121 PolarHBondContact O-N 3.14Å; S119-G122 PolarHBondContact O-N 3.04Å; S119-G122 PolarHBondContact OG-N 3.36Å; S119-S123 VanDerWaalsContact O-CB 3.22Å; S119-S123 WeakPolarHBondContact O-CB 3.06Å; S119-S123 PolarHBondContact O-N 3.27Å; S119-S123 PolarHBondContact O-OG 2.9Å
120E87.6Confident93Very high41 Ų4138.8 Ų38.819%0.19220%0.202CC..Hα-helixtrans-62.6-40.8-177.6172.845.3-15200111.8G122 S123 R124 R127 M473E120-G122 PolarHBondContact O-N 2.87Å; E120-S123 PolarHBondContact O-N 3.42Å; E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.01Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 IonicContact OE1-CZ 3.43Å; E120-R124 IonicContact OE1-NE 3.02Å; E120-R124 PolarHBondContact OE1-NE 3.02Å; E120-R124 IonicContact OE1-NH2 2.92Å; E120-R124 PolarHBondContact OE1-NH2 2.87Å; E120-R127 IonicContact OE1-CZ 3.57Å; E120-R127 IonicContact OE1-NH1 2.88Å; E120-R127 IonicContact OE1-NH2 3.26Å; E120-R127 PolarHBondContact OE1-NH2 2.9Å; E120-R127 IonicContact OE2-CZ 3.49Å; E120-R127 IonicContact OE2-NH1 3.4Å; E120-R127 PolarHBondContact OE2-NH1 3.03Å; E120-R127 IonicContact OE2-NH2 2.99Å; E120-R127 PolarHBondContact OE2-NH2 3.44Å; E120-M473 HydrophobicContact CB-SD 4.37Å
121E89Confident93.1Very high129 Ų12937.1 Ų37.160%0.60320%0.195SC*.Hα-helixtrans-60.8-43.4177-166.3-162.9157.300112.5S119 K125S119-E121 VanDerWaalsContact C-N 3.34Å; S119-E121 PolarHBondContact O-N 3.14Å; E121-K125 WeakPolarHBondContact O-CG 3.49Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.74Å; E121-K125 PolarHBondContact OE1-NZ 3.3Å
122G92.2Very high93.2Very high10 Ų1038.3 Ų38.310%0.10320%0.199CC..Hα-helixtrans-71.2-44.4179.400000112S119 E120 R124 K125 I126S119-G122 PolarHBondContact O-N 3.04Å; S119-G122 PolarHBondContact OG-N 3.36Å; E120-G122 PolarHBondContact O-N 2.87Å; G122-R124 VanDerWaalsContact C-N 3.35Å; G122-R124 PolarHBondContact O-N 3.09Å; G122-K125 PolarHBondContact O-N 3.02Å; G122-I126 WeakPolarHBondContact O-CG1 3.03Å; G122-I126 PolarHBondContact O-N 2.76Å
123S93.6Very high93.4Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-55.5-49.9173.9-67.90000110.7I115 S119 E120 K125 I126 R127 Y336I115-S123 WeakPolarHBondContact O-CB 3.34Å; S119-S123 VanDerWaalsContact O-CB 3.22Å; S119-S123 WeakPolarHBondContact O-CB 3.06Å; S119-S123 PolarHBondContact O-N 3.27Å; S119-S123 PolarHBondContact O-OG 2.9Å; E120-S123 PolarHBondContact O-N 3.42Å; S123-K125 PolarHBondContact O-N 2.77Å; S123-I126 WeakPolarHBondContact O-CB 3.25Å; S123-I126 PolarHBondContact O-N 3.21Å; S123-I126 VanDerWaalsContact O-N 3.07Å; S123-R127 VanDerWaalsContact O-CG 3.28Å; S123-R127 WeakPolarHBondContact O-CG 3.45Å; S123-R127 PolarHBondContact O-N 3Å; S123-Y336 WeakPolarHBondContact OG-CD1 3.34Å
124R93.4Very high93.7Very high53 Ų5334.5 Ų34.520%0.217%0.167CC..Hα-helixtrans-56.2-46.3177.5-169.5179.9-55.5-172.81.3112.9E120 G122 I126 R127 L128E120-R124 VanDerWaalsContact O-CB 3.23Å; E120-R124 WeakPolarHBondContact O-CB 3.01Å; E120-R124 PolarHBondContact O-N 2.94Å; E120-R124 IonicContact OE1-CZ 3.43Å; E120-R124 IonicContact OE1-NE 3.02Å; E120-R124 PolarHBondContact OE1-NE 3.02Å; E120-R124 IonicContact OE1-NH2 2.92Å; E120-R124 PolarHBondContact OE1-NH2 2.87Å; G122-R124 VanDerWaalsContact C-N 3.35Å; G122-R124 PolarHBondContact O-N 3.09Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.9Å; R124-R127 PolarHBondContact O-N 2.89Å; R124-L128 HydrophobicContact CG-CD1 4.08Å; R124-L128 WeakPolarHBondContact O-CB 3.36Å; R124-L128 WeakPolarHBondContact O-CG 3.44Å; R124-L128 PolarHBondContact O-N 2.98Å
125K95.5Very high93.9Very high118 Ų11834 Ų3451%0.51316%0.164SC..Hα-helixtrans-60-40.5176.3-72.5173.3-173.1170.90112E121 G122 S123 T129E121-K125 WeakPolarHBondContact O-CG 3.49Å; E121-K125 PolarHBondContact O-N 3.32Å; E121-K125 WeakPolarHBondContact OE1-CE 3.41Å; E121-K125 IonicContact OE1-NZ 2.74Å; E121-K125 PolarHBondContact OE1-NZ 3.3Å; G122-K125 PolarHBondContact O-N 3.02Å; S123-K125 PolarHBondContact O-N 2.77Å; K125-T129 WeakPolarHBondContact O-CB 3.14Å; K125-T129 PolarHBondContact O-N 3.3Å; K125-T129 PolarHBondContact O-OG1 3.34Å
126I97.3Very high94.2Very high26 Ų2634 Ų3413%0.13316%0.164CC..Hα-helixtrans-65-50.6176.7-67.8166.6000110.3I115 G122 S123 R124 L128 T129 I130 I327 A331 Y336I115-I126 HydrophobicContact CD1-CG2 3.7Å; I115-I126 HydrophobicContact CG2-CB 4.25Å; I115-I126 HydrophobicContact CG2-CG2 4.01Å; G122-I126 WeakPolarHBondContact O-CG1 3.03Å; G122-I126 PolarHBondContact O-N 2.76Å; S123-I126 WeakPolarHBondContact O-CB 3.25Å; S123-I126 PolarHBondContact O-N 3.21Å; S123-I126 VanDerWaalsContact O-N 3.07Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.9Å; I126-L128 PolarHBondContact O-N 2.86Å; I126-T129 PolarHBondContact O-N 3.09Å; I126-T129 VanDerWaalsContact O-N 3.15Å; I126-I130 HydrophobicContact CG2-CD1 3.87Å; I126-I130 HydrophobicContact CG2-CG1 4.47Å; I126-I130 WeakPolarHBondContact O-CG1 3.3Å; I126-I130 PolarHBondContact O-N 3.02Å; I126-I327 HydrophobicContact CG2-CG2 3.73Å; I126-A331 HydrophobicContact CD1-CB 4.22Å; I126-A331 HydrophobicContact CG2-CB 4.12Å; I126-Y336 HydrophobicContact CD1-CD1 3.84Å; I126-Y336 HydrophobicContact CD1-CD2 3.31Å; I126-Y336 HydrophobicContact CD1-CE1 4.19Å; I126-Y336 HydrophobicContact CD1-CE2 3.69Å; I126-Y336 HydrophobicContact CD1-CG 3.41Å; I126-Y336 VanDerWaalsContact CD1-CG 3.41Å
127R97.4Very high94.6Very high15 Ų1532.3 Ų32.36%0.05716%0.155CC..Hα-helixtrans-58.7-46.8-179.6-62.3-170.7-63.1-100.56.2112.1I111 I115 E120 S123 R124 T129 I130 M131 V458I111-R127 HydrophobicContact CG2-CB 3.76Å; I111-R127 HydrophobicContact CG2-CG 3.77Å; I111-R127 WeakPolarHBondContact O-CD 3Å; I115-R127 HydrophobicContact CB-CG 3.85Å; I115-R127 HydrophobicContact CD1-CG 4.33Å; I115-R127 HydrophobicContact CG1-CG 4.5Å; I115-R127 HydrophobicContact CG2-CG 4.27Å; I115-R127 PolarHBondContact O-NH1 3.47Å; E120-R127 IonicContact OE1-CZ 3.57Å; E120-R127 IonicContact OE1-NH1 2.88Å; E120-R127 IonicContact OE1-NH2 3.26Å; E120-R127 PolarHBondContact OE1-NH2 2.9Å; E120-R127 IonicContact OE2-CZ 3.49Å; E120-R127 IonicContact OE2-NH1 3.4Å; E120-R127 PolarHBondContact OE2-NH1 3.03Å; E120-R127 IonicContact OE2-NH2 2.99Å; E120-R127 PolarHBondContact OE2-NH2 3.44Å; S123-R127 VanDerWaalsContact O-CG 3.28Å; S123-R127 WeakPolarHBondContact O-CG 3.45Å; S123-R127 PolarHBondContact O-N 3Å; R124-R127 PolarHBondContact O-N 2.89Å; R127-T129 VanDerWaalsContact C-N 3.33Å; R127-T129 PolarHBondContact O-N 3.35Å; R127-I130 PolarHBondContact O-N 3.04Å; R127-M131 PolarHBondContact O-N 3.12Å; R127-V458 HydrophobicContact CB-CB 3.77Å; R127-V458 HydrophobicContact CB-CG1 4.1Å; R127-V458 HydrophobicContact CB-CG2 4.44Å; R127-V458 PolarHBondContact NE-O 2.91Å; R127-V458 VanDerWaalsContact NE-O 3.15Å; R127-V458 PolarHBondContact NH2-O 3.26Å
128L97.2Very high95.2Very high37 Ų3732.1 Ų32.119%0.19415%0.153CC..Hα-helixtrans-58.2-44.2174.9-77.2167.1000111.9R124 I126 M131 R132 F286 Y455 V458 F459R124-L128 HydrophobicContact CG-CD1 4.08Å; R124-L128 WeakPolarHBondContact O-CB 3.36Å; R124-L128 WeakPolarHBondContact O-CG 3.44Å; R124-L128 PolarHBondContact O-N 2.98Å; I126-L128 PolarHBondContact O-N 2.86Å; L128-M131 PolarHBondContact O-N 3.27Å; L128-R132 VanDerWaalsContact O-CB 3.23Å; L128-R132 WeakPolarHBondContact O-CB 3.27Å; L128-R132 PolarHBondContact O-N 3.09Å; L128-F286 HydrophobicContact CD2-CD1 4.46Å; L128-F286 HydrophobicContact CD2-CE1 4.18Å; L128-Y455 HydrophobicContact CD2-CD2 3.71Å; L128-Y455 HydrophobicContact CD2-CE2 3.91Å; L128-V458 HydrophobicContact CD2-CG2 3.64Å; L128-V458 HydrophobicContact CG-CG2 4.02Å; L128-F459 HydrophobicContact CD1-CD2 4.44Å; L128-F459 HydrophobicContact CD2-CB 4.43Å
129T98Very high95.6Very high37 Ų3726.5 Ų26.523%0.22713%0.129CC..Hα-helixtrans-66.1-41.9-179.1-57.50000111.9K125 I126 R127 R132 Y133 I327K125-T129 WeakPolarHBondContact O-CB 3.14Å; K125-T129 PolarHBondContact O-N 3.3Å; K125-T129 PolarHBondContact O-OG1 3.34Å; I126-T129 PolarHBondContact O-N 3.09Å; I126-T129 VanDerWaalsContact O-N 3.15Å; R127-T129 VanDerWaalsContact C-N 3.33Å; R127-T129 PolarHBondContact O-N 3.35Å; T129-R132 PolarHBondContact O-N 2.79Å; T129-Y133 HydrophobicContact CG2-CD2 4.36Å; T129-Y133 HydrophobicContact CG2-CE1 4.32Å; T129-Y133 HydrophobicContact CG2-CE2 3.82Å; T129-Y133 PolarHBondContact O-N 2.93Å; T129-Y133 VanDerWaalsContact O-N 3.07Å; T129-I327 HydrophobicContact CG2-CD1 3.36Å
130I98.3Very high96Very high0 Ų024.9 Ų24.90%012%0.117CC..Hα-helixtrans-61.9-48.8176-65.3169.2000110I111 I115 I126 R127 R132 Y133 M134 A324 I327 I350I111-I130 HydrophobicContact CD1-CB 4.31Å; I111-I130 HydrophobicContact CD1-CG2 3.42Å; I111-I130 VanDerWaalsContact CD1-CG2 3.42Å; I111-I130 HydrophobicContact CG1-CG2 4.36Å; I115-I130 HydrophobicContact CD1-CD1 3.49Å; I115-I130 VanDerWaalsContact CD1-CD1 3.49Å; I126-I130 HydrophobicContact CG2-CD1 3.87Å; I126-I130 HydrophobicContact CG2-CG1 4.47Å; I126-I130 WeakPolarHBondContact O-CG1 3.3Å; I126-I130 PolarHBondContact O-N 3.02Å; R127-I130 PolarHBondContact O-N 3.04Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 2.87Å; I130-Y133 PolarHBondContact O-N 2.8Å; I130-Y133 VanDerWaalsContact O-N 3.13Å; I130-M134 HydrophobicContact CG2-CG 4.41Å; I130-M134 WeakPolarHBondContact O-CG 3.47Å; I130-M134 PolarHBondContact O-N 2.95Å; I130-A324 HydrophobicContact CG2-CB 4.03Å; I130-I327 HydrophobicContact CD1-CG2 3.98Å; I130-I327 HydrophobicContact CG1-CB 4.2Å; I130-I327 HydrophobicContact CG1-CG2 3.7Å; I130-I350 HydrophobicContact CG2-CD1 4.4Å
131M98.2Very high96.3Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-65.7-34.3-179.6-72.6-46.7-5800113.3M104 I107 A108 I111 R127 L128 Y133 M134 N135 F286 S454 V458M104-M131 HydrophobicContact CB-CE 3.98Å; M104-M131 HydrophobicContact CG-CE 4.39Å; M104-M131 HydrophobicContact SD-CE 4.3Å; I107-M131 HydrophobicContact CG2-CE 4.2Å; A108-M131 HydrophobicContact CB-CE 3.8Å; A108-M131 HydrophobicContact CB-SD 4.02Å; I111-M131 HydrophobicContact CD1-CG 4.43Å; I111-M131 HydrophobicContact CD1-SD 3.5Å; I111-M131 WeakPolarHBondContact CD1-SD 3.49Å; R127-M131 PolarHBondContact O-N 3.12Å; L128-M131 PolarHBondContact O-N 3.27Å; M131-Y133 VanDerWaalsContact C-N 3.34Å; M131-M134 HydrophobicContact CE-CB 4.47Å; M131-M134 PolarHBondContact O-N 2.83Å; M131-N135 PolarHBondContact O-N 3.25Å; M131-N135 PolarHBondContact O-ND2 3.41Å; M131-F286 HydrophobicContact CB-CE1 4.28Å; M131-F286 HydrophobicContact CB-CZ 4.08Å; M131-S454 VanDerWaalsContact CE-CB 3.47Å; M131-S454 WeakPolarHBondContact CE-OG 3.23Å; M131-V458 HydrophobicContact CG-CB 4.47Å; M131-V458 HydrophobicContact CG-CG1 3.49Å; M131-V458 VanDerWaalsContact CG-CG1 3.49Å; M131-V458 HydrophobicContact CG-CG2 4.26Å
132R98Very high96.5Very high25 Ų2516.9 Ų16.99%0.0948%0.079CC..Hα-helixtrans-59.6-44.9171.5-176.1175.860.685.2-7.2111.2L128 T129 I130 N135 L136 F286 V288 L289 E294L128-R132 VanDerWaalsContact O-CB 3.23Å; L128-R132 WeakPolarHBondContact O-CB 3.27Å; L128-R132 PolarHBondContact O-N 3.09Å; T129-R132 PolarHBondContact O-N 2.79Å; I130-R132 VanDerWaalsContact C-N 3.31Å; I130-R132 PolarHBondContact O-N 2.87Å; R132-N135 PolarHBondContact O-N 2.88Å; R132-L136 WeakPolarHBondContact O-CB 3.39Å; R132-L136 PolarHBondContact O-N 2.88Å; R132-F286 HydrophobicContact CB-CD1 4.02Å; R132-F286 HydrophobicContact CB-CE1 4.16Å; R132-F286 HydrophobicContact CG-CD1 4.45Å; R132-V288 WeakPolarHBondContact CD-O 3.41Å; R132-L289 VanDerWaalsContact CD-O 3.29Å; R132-L289 WeakPolarHBondContact CD-O 3.39Å; R132-L289 HydrophobicContact CG-CD1 4.08Å; R132-L289 WeakPolarHBondContact CG-O 3.49Å; R132-L289 PolarHBondContact NH1-O 3.36Å; R132-E294 IonicContact CZ-OE1 3.47Å; R132-E294 IonicContact CZ-OE2 3.64Å; R132-E294 VanDerWaalsContact NH1-CD 3.33Å; R132-E294 IonicContact NH1-OE1 2.63Å; R132-E294 PolarHBondContact NH1-OE1 3Å; R132-E294 IonicContact NH1-OE2 3.19Å; R132-E294 PolarHBondContact NH1-OE2 3Å; R132-E294 IonicContact NH2-OE1 3.53Å; R132-E294 PolarHBondContact NH2-OE1 3.42Å; R132-E294 IonicContact NH2-OE2 2.93Å
133Y98.6Very high96.5Very high24 Ų2418.7 Ų18.79%0.0948%0.084CC..Hα-helixtrans-67.1-38175.7-66.7-18.3000113.6T129 I130 M131 N135 L136 A137 E294 P320 W323 A324 I327T129-Y133 HydrophobicContact CG2-CD2 4.36Å; T129-Y133 HydrophobicContact CG2-CE1 4.32Å; T129-Y133 HydrophobicContact CG2-CE2 3.82Å; T129-Y133 PolarHBondContact O-N 2.93Å; T129-Y133 VanDerWaalsContact O-N 3.07Å; I130-Y133 PolarHBondContact O-N 2.8Å; I130-Y133 VanDerWaalsContact O-N 3.13Å; M131-Y133 VanDerWaalsContact C-N 3.34Å; Y133-N135 VanDerWaalsContact C-N 3.35Å; Y133-L136 PolarHBondContact O-N 3.42Å; Y133-A137 WeakPolarHBondContact O-CB 3.15Å; Y133-A137 PolarHBondContact O-N 3.04Å; Y133-E294 HydrophobicContact CE1-CG 4.36Å; Y133-E294 PolarHBondContact OH-OE1 2.94Å; Y133-P320 WeakPolarHBondContact CB-O 3.43Å; Y133-P320 WeakPolarHBondContact O-CB 3.34Å; Y133-W323 HydrophobicContact CD1-CE3 4.08Å; Y133-W323 HydrophobicContact CD2-CB 3.57Å; Y133-W323 AromaticContact CE1-CE3 3.85Å; Y133-W323 HydrophobicContact CE1-CE3 3.85Å; Y133-W323 HydrophobicContact CE1-CZ3 4.41Å; Y133-W323 HydrophobicContact CE2-CB 3.46Å; Y133-W323 VanDerWaalsContact CE2-CB 3.46Å; Y133-W323 HydrophobicContact CE2-CE3 4.34Å; Y133-W323 HydrophobicContact CE2-CG 4.44Å; Y133-W323 HydrophobicContact CG-CB 4.35Å; Y133-W323 HydrophobicContact CG-CE3 4.45Å; Y133-A324 HydrophobicContact CD2-CB 4.42Å; Y133-I327 HydrophobicContact CD2-CD1 4.04Å; Y133-I327 HydrophobicContact CE2-CD1 3.35Å; Y133-I327 HydrophobicContact CE2-CG1 4.34Å
134M98.4Very high96.2Very high0 Ų021.2 Ų21.20%09%0.094CC..Hα-helixtrans-63.7-40.6175.6-67-50-67.200112M104 I107 I130 M131 W138 A324 I350 V353M104-M134 HydrophobicContact CE-CB 4.3Å; M104-M134 WeakPolarHBondContact CE-O 3.05Å; M104-M134 HydrophobicContact SD-CB 4.1Å; I107-M134 HydrophobicContact CD1-CE 3.69Å; I107-M134 HydrophobicContact CD1-CG 4.12Å; I107-M134 HydrophobicContact CD1-SD 4.29Å; I130-M134 HydrophobicContact CG2-CG 4.41Å; I130-M134 WeakPolarHBondContact O-CG 3.47Å; I130-M134 PolarHBondContact O-N 2.95Å; M131-M134 HydrophobicContact CE-CB 4.47Å; M131-M134 PolarHBondContact O-N 2.83Å; M134-W138 PolarHBondContact O-N 2.87Å; M134-W138 VanDerWaalsContact O-N 3.08Å; M134-A324 HydrophobicContact SD-CB 4.11Å; M134-I350 HydrophobicContact CE-CG2 4.22Å; M134-I350 HydrophobicContact SD-CG1 4.38Å; M134-I350 HydrophobicContact SD-CG2 3.93Å; M134-V353 HydrophobicContact CE-CB 3.67Å; M134-V353 HydrophobicContact CE-CG1 3.45Å; M134-V353 VanDerWaalsContact CE-CG1 3.45Å; M134-V353 HydrophobicContact CE-CG2 4.25Å
135N98.1Very high96Very high0 Ų019.1 Ų19.10%09%0.086CC..Hα-helixtrans-70.9-38.2174.4-77-79.2000112.2M131 R132 Y133 A137 W138 V139 L289 L451 S454M131-N135 PolarHBondContact O-N 3.25Å; M131-N135 PolarHBondContact O-ND2 3.41Å; R132-N135 PolarHBondContact O-N 2.88Å; Y133-N135 VanDerWaalsContact C-N 3.35Å; N135-A137 VanDerWaalsContact C-N 3.33Å; N135-A137 PolarHBondContact O-N 3.29Å; N135-W138 WeakPolarHBondContact O-CB 3.24Å; N135-W138 PolarHBondContact O-N 2.83Å; N135-V139 WeakPolarHBondContact O-CG2 3.44Å; N135-V139 PolarHBondContact O-N 3.47Å; N135-L289 HydrophobicContact CB-CD1 4.02Å; N135-L451 HydrophobicContact CB-CD2 3.81Å; N135-S454 WeakPolarHBondContact ND2-CB 3.46Å; N135-S454 PolarHBondContact ND2-OG 3.44Å
136L98.1Very high95.8Very high0 Ų013.5 Ų13.50%06%0.062CC..Hα-helixtrans-58.9-45.9173.6179.560.6000111.1R132 Y133 W138 V139 L140 L276 L289 I290 P320 W323R132-L136 WeakPolarHBondContact O-CB 3.39Å; R132-L136 PolarHBondContact O-N 2.88Å; Y133-L136 PolarHBondContact O-N 3.42Å; L136-W138 PolarHBondContact O-N 3.29Å; L136-V139 PolarHBondContact O-N 2.95Å; L136-L140 HydrophobicContact CD1-CD1 4.32Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 4.21Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.3Å; L136-L140 PolarHBondContact O-N 3.23Å; L136-L276 HydrophobicContact CD1-CD1 3.78Å; L136-L289 HydrophobicContact CB-CD1 4.4Å; L136-L289 HydrophobicContact CB-CD2 4.48Å; L136-L289 HydrophobicContact CB-CG 4.13Å; L136-L289 HydrophobicContact CD1-CD2 4.12Å; L136-L289 HydrophobicContact CD1-CG 4.18Å; L136-I290 HydrophobicContact CD1-CB 4.13Å; L136-I290 HydrophobicContact CD1-CD1 4.4Å; L136-I290 HydrophobicContact CD2-CB 4.01Å; L136-I290 HydrophobicContact CD2-CD1 3.96Å; L136-I290 HydrophobicContact CD2-CG1 3.91Å; L136-P320 HydrophobicContact CB-CB 4.36Å; L136-P320 HydrophobicContact CB-CG 4.36Å; L136-P320 HydrophobicContact CD2-CB 4.13Å; L136-P320 HydrophobicContact CD2-CG 3.72Å; L136-P320 HydrophobicContact CG-CB 4.3Å; L136-P320 HydrophobicContact CG-CG 3.81Å; L136-W323 HydrophobicContact CD2-CZ3 4.34Å
137A98Very high95.4Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-56.8-48.5173.600000111.8Y133 N135 V139 L140 M141 Y317 P320 I321 M357Y133-A137 WeakPolarHBondContact O-CB 3.15Å; Y133-A137 PolarHBondContact O-N 3.04Å; N135-A137 VanDerWaalsContact C-N 3.33Å; N135-A137 PolarHBondContact O-N 3.29Å; A137-V139 PolarHBondContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 3.09Å; A137-M141 PolarHBondContact O-N 2.98Å; A137-Y317 WeakPolarHBondContact CA-O 3.48Å; A137-Y317 WeakPolarHBondContact CB-O 3.41Å; A137-Y317 WeakPolarHBondContact O-CB 3.24Å; A137-P320 HydrophobicContact CB-CB 4.27Å; A137-I321 HydrophobicContact CB-CD1 4.01Å; A137-I321 HydrophobicContact CB-CG1 3.55Å; A137-M357 HydrophobicContact CB-CE 4.48Å; A137-M357 HydrophobicContact CB-SD 4.42Å
138W97Very high95.1Very high1 Ų114 Ų140%0.0047%0.065CC..Hα-helixtrans-58-47.3177.4175.4-121.3000112.6I101 P102 M104 M134 N135 L136 M141 M142 M357 L360 I446I101-W138 HydrophobicContact CG2-CH2 3.86Å; I101-W138 HydrophobicContact CG2-CZ2 4.13Å; P102-W138 HydrophobicContact CG-CD2 4.33Å; P102-W138 HydrophobicContact CG-CE3 3.56Å; P102-W138 HydrophobicContact CG-CH2 4.3Å; P102-W138 HydrophobicContact CG-CZ3 3.54Å; M104-W138 HydrophobicContact CE-CB 3.9Å; M104-W138 HydrophobicContact CE-CG 4.43Å; M134-W138 PolarHBondContact O-N 2.87Å; M134-W138 VanDerWaalsContact O-N 3.08Å; N135-W138 WeakPolarHBondContact O-CB 3.24Å; N135-W138 PolarHBondContact O-N 2.83Å; L136-W138 PolarHBondContact O-N 3.29Å; W138-M141 HydrophobicContact CE3-CE 3.55Å; W138-M141 HydrophobicContact CH2-CE 4.32Å; W138-M141 HydrophobicContact CZ3-CE 3.23Å; W138-M141 PolarHBondContact O-N 3.46Å; W138-M142 HydrophobicContact CD2-CG 3.58Å; W138-M142 VanDerWaalsContact CE2-CG 3.44Å; W138-M142 HydrophobicContact CE3-CG 3.59Å; W138-M142 HydrophobicContact CE3-SD 4.17Å; W138-M142 HydrophobicContact CG-CG 4.43Å; W138-M142 HydrophobicContact CH2-CE 3.84Å; W138-M142 HydrophobicContact CH2-CG 3.41Å; W138-M142 VanDerWaalsContact CH2-CG 3.41Å; W138-M142 HydrophobicContact CH2-SD 3.2Å; W138-M142 WeakPolarHBondContact CH2-SD 3.3Å; W138-M142 HydrophobicContact CZ2-CE 3.95Å; W138-M142 HydrophobicContact CZ2-CG 3.37Å; W138-M142 HydrophobicContact CZ2-SD 3.71Å; W138-M142 HydrophobicContact CZ3-CG 3.51Å; W138-M142 HydrophobicContact CZ3-SD 3.47Å; W138-M142 WeakPolarHBondContact CZ3-SD 3.29Å; W138-M142 WeakPolarHBondContact O-CB 3.19Å; W138-M142 WeakPolarHBondContact O-CG 3.41Å; W138-M142 PolarHBondContact O-N 3.36Å; W138-M357 HydrophobicContact CB-CE 3.67Å; W138-M357 HydrophobicContact CE3-CE 4Å; W138-M357 HydrophobicContact CE3-CG 4.44Å; W138-M357 HydrophobicContact CG-CE 4.46Å; W138-L360 HydrophobicContact CH2-CD2 4.12Å; W138-L360 HydrophobicContact CZ3-CD2 4.03Å; W138-I446 HydrophobicContact CZ2-CG2 4.25Å
139V95.9Very high94.8Very high0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-61.6-47178.5171.80000111.3N135 L136 A137 M141 M142 K143 F153 L276 L289 L447N135-V139 WeakPolarHBondContact O-CG2 3.44Å; N135-V139 PolarHBondContact O-N 3.47Å; L136-V139 PolarHBondContact O-N 2.95Å; A137-V139 PolarHBondContact O-N 3.08Å; V139-M141 VanDerWaalsContact C-N 3.32Å; V139-M141 PolarHBondContact O-N 3.14Å; V139-M142 PolarHBondContact O-N 3.46Å; V139-K143 WeakPolarHBondContact O-CB 3.14Å; V139-K143 PolarHBondContact O-N 3.45Å; V139-F153 HydrophobicContact CG1-CD2 4.08Å; V139-F153 HydrophobicContact CG1-CE2 3.65Å; V139-F153 HydrophobicContact CG1-CZ 4.01Å; V139-F153 HydrophobicContact CG2-CE2 4.48Å; V139-F153 HydrophobicContact CG2-CZ 4.5Å; V139-L276 HydrophobicContact CG1-CD1 4.35Å; V139-L276 HydrophobicContact CG1-CD2 3.8Å; V139-L289 HydrophobicContact CG2-CD2 4.16Å; V139-L447 HydrophobicContact CG2-CD1 3.43Å; V139-L447 VanDerWaalsContact CG2-CD1 3.43Å; V139-L447 HydrophobicContact CG2-CD2 3.95Å; V139-L447 HydrophobicContact CG2-CG 4.36Å
140L95.3Very high94.4Very high7 Ų711.1 Ų11.14%0.0375%0.05CC..Hα-helixtrans-60.9-40.9178.9-71.5179.2000111.9L136 A137 R144 L273 L276 F298 P315 P320L136-L140 HydrophobicContact CD1-CD1 4.32Å; L136-L140 HydrophobicContact CD1-CG 4.19Å; L136-L140 HydrophobicContact CG-CD1 4.21Å; L136-L140 HydrophobicContact CG-CG 4.48Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.3Å; L136-L140 PolarHBondContact O-N 3.23Å; A137-L140 PolarHBondContact O-N 3.09Å; L140-R144 WeakPolarHBondContact O-CG 3.4Å; L140-L273 HydrophobicContact CD2-CD2 4.04Å; L140-L276 HydrophobicContact CD2-CD1 4.22Å; L140-F298 HydrophobicContact CD1-CE1 4.49Å; L140-F298 HydrophobicContact CD1-CZ 3.89Å; L140-P315 HydrophobicContact CD1-CB 4.42Å; L140-P315 HydrophobicContact CD2-CB 4.19Å; L140-P320 HydrophobicContact CD1-CG 4.04Å
141M94.7Very high93.9Very high2 Ų214.2 Ų14.21%0.017%0.071CC..Hα-helixtrans-67.7-49176.4-170.7-171.672.200111.3A137 W138 V139 K143 R144 I145 Y317 M357 L360A137-M141 PolarHBondContact O-N 2.98Å; W138-M141 HydrophobicContact CE3-CE 3.55Å; W138-M141 HydrophobicContact CH2-CE 4.32Å; W138-M141 HydrophobicContact CZ3-CE 3.23Å; W138-M141 PolarHBondContact O-N 3.46Å; V139-M141 VanDerWaalsContact C-N 3.32Å; V139-M141 PolarHBondContact O-N 3.14Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.97Å; M141-R144 WeakPolarHBondContact O-CB 3.49Å; M141-R144 PolarHBondContact O-N 3.22Å; M141-I145 HydrophobicContact CE-CD1 4.49Å; M141-I145 HydrophobicContact CG-CD1 4.07Å; M141-I145 HydrophobicContact SD-CD1 4.47Å; M141-Y317 HydrophobicContact CB-CD1 4.34Å; M141-Y317 HydrophobicContact CB-CD2 4.18Å; M141-Y317 HydrophobicContact CB-CG 3.82Å; M141-Y317 HydrophobicContact CG-CD1 4.31Å; M141-Y317 HydrophobicContact CG-CD2 4.47Å; M141-Y317 HydrophobicContact CG-CG 4.19Å; M141-Y317 HydrophobicContact SD-CD2 4.47Å; M141-Y317 HydrophobicContact SD-CE2 4.42Å; M141-M357 HydrophobicContact CE-CB 4.08Å; M141-M357 HydrophobicContact CE-CG 3.88Å; M141-M357 VanDerWaalsContact SD-CA 3.58Å; M141-M357 HydrophobicContact SD-CB 3.4Å; M141-M357 WeakPolarHBondContact SD-CB 3.33Å; M141-M357 HydrophobicContact SD-CG 3.76Å; M141-M357 HydrophobicContact SD-SD 4.47Å; M141-L360 HydrophobicContact CE-CB 4.48Å; M141-L360 HydrophobicContact CE-CD2 3.82Å
142M94.3Very high93.5Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-70.1-27.8-173.7-73.1-56-73.300113.8W138 V139 R144 I145 S146 I149 L360 F434 T443W138-M142 HydrophobicContact CD2-CG 3.58Å; W138-M142 VanDerWaalsContact CE2-CG 3.44Å; W138-M142 HydrophobicContact CE3-CG 3.59Å; W138-M142 HydrophobicContact CE3-SD 4.17Å; W138-M142 HydrophobicContact CG-CG 4.43Å; W138-M142 HydrophobicContact CH2-CE 3.84Å; W138-M142 HydrophobicContact CH2-CG 3.41Å; W138-M142 VanDerWaalsContact CH2-CG 3.41Å; W138-M142 HydrophobicContact CH2-SD 3.2Å; W138-M142 WeakPolarHBondContact CH2-SD 3.3Å; W138-M142 HydrophobicContact CZ2-CE 3.95Å; W138-M142 HydrophobicContact CZ2-CG 3.37Å; W138-M142 HydrophobicContact CZ2-SD 3.71Å; W138-M142 HydrophobicContact CZ3-CG 3.51Å; W138-M142 HydrophobicContact CZ3-SD 3.47Å; W138-M142 WeakPolarHBondContact CZ3-SD 3.29Å; W138-M142 WeakPolarHBondContact O-CB 3.19Å; W138-M142 WeakPolarHBondContact O-CG 3.41Å; W138-M142 PolarHBondContact O-N 3.36Å; V139-M142 PolarHBondContact O-N 3.46Å; M142-R144 PolarHBondContact O-N 2.86Å; M142-R144 VanDerWaalsContact O-N 3.1Å; M142-I145 PolarHBondContact O-N 3.21Å; M142-I145 VanDerWaalsContact O-N 3.16Å; M142-S146 PolarHBondContact O-N 3.27Å; M142-I149 HydrophobicContact CB-CB 4.24Å; M142-I149 HydrophobicContact CB-CD1 3.38Å; M142-I149 HydrophobicContact CB-CG1 4.37Å; M142-I149 HydrophobicContact CB-CG2 3.99Å; M142-I149 HydrophobicContact CE-CD1 4.11Å; M142-I149 HydrophobicContact CG-CD1 3.92Å; M142-L360 HydrophobicContact SD-CD2 4.14Å; M142-F434 HydrophobicContact CE-CD1 3.85Å; M142-F434 HydrophobicContact CE-CE1 3.85Å; M142-T443 HydrophobicContact CE-CG2 3.41Å; M142-T443 VanDerWaalsContact CE-CG2 3.41Å
143K90.6Very high93Very high48 Ų4816 Ų1621%0.2098%0.078CC..Hα-helixtrans-57.6-21.3170.4-178166.1-179.2164.40112.8V139 M141 I149 F153 M272V139-K143 WeakPolarHBondContact O-CB 3.14Å; V139-K143 PolarHBondContact O-N 3.45Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.97Å; K143-I149 HydrophobicContact CB-CG2 4.32Å; K143-F153 PolarHBondContact NZ-O 2.88Å; K143-M272 HydrophobicContact CD-SD 4.23Å; K143-M272 PolarHBondContact NZ-SD 3.13Å
144R87Confident92.1Very high52 Ų5219 Ų1920%0.19610%0.095CC..Hα-helixtrans-93.2-23.7-179.3-50.7-178.873.6-153.41.2113.4L140 M141 M142 Q188L140-R144 WeakPolarHBondContact O-CG 3.4Å; M141-R144 WeakPolarHBondContact O-CB 3.49Å; M141-R144 PolarHBondContact O-N 3.22Å; M142-R144 PolarHBondContact O-N 2.86Å; M142-R144 VanDerWaalsContact O-N 3.1Å; R144-Q188 VanDerWaalsContact NH2-CD 3.31Å
145I90.2Very high90.4Very high9 Ų924.4 Ų24.45%0.04612%0.119CC..Hα-helixtrans-107.1-39.4-171.7-65.5171.6000111M141 M142 Q361 S364 F434M141-I145 HydrophobicContact CE-CD1 4.49Å; M141-I145 HydrophobicContact CG-CD1 4.07Å; M141-I145 HydrophobicContact SD-CD1 4.47Å; M142-I145 PolarHBondContact O-N 3.21Å; M142-I145 VanDerWaalsContact O-N 3.16Å; I145-Q361 HydrophobicContact CD1-CB 4.22Å; I145-S364 WeakPolarHBondContact CG2-OG 3.42Å; I145-F434 HydrophobicContact CG2-CB 3.91Å; I145-F434 HydrophobicContact CG2-CD1 4.01Å; I145-F434 HydrophobicContact CG2-CD2 3.49Å; I145-F434 VanDerWaalsContact CG2-CD2 3.49Å; I145-F434 HydrophobicContact CG2-CE1 4.45Å; I145-F434 HydrophobicContact CG2-CE2 3.98Å; I145-F434 HydrophobicContact CG2-CG 3.52Å; I145-F434 HydrophobicContact CG2-CZ 4.45Å; I145-F434 WeakPolarHBondContact O-CB 3.5Å
146S91.6Very high88Confident0 Ų030 Ų300%015%0.148CC..  trans-107.1124-171.3-178.40000113.4M142 Q148 I149 A150 F434 T443M142-S146 PolarHBondContact O-N 3.27Å; S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.37Å; S146-I149 PolarHBondContact O-N 3.01Å; S146-A150 WeakPolarHBondContact O-CB 3.29Å; S146-A150 PolarHBondContact O-N 3.41Å; S146-F434 CarbonylContact C-O 3.59Å; S146-F434 VanDerWaalsContact CA-O 3.24Å; S146-F434 WeakPolarHBondContact CA-O 3.28Å; S146-F434 PolarHBondContact OG-O 3.03Å; S146-T443 WeakPolarHBondContact OG-CG2 3.41Å; S146-T443 PolarHBondContact OG-OG1 3.07Å
147D88.9Confident85.2Confident17 Ų1735.9 Ų35.99%0.09118%0.18CC..Hα-helixtrans-64-39.6178.2-64.4-40.2000110.6I149 A150 C151 I182 R184 F434D147-I149 PolarHBondContact O-N 3.47Å; D147-A150 PolarHBondContact O-N 2.98Å; D147-C151 VanDerWaalsContact O-CB 3.23Å; D147-C151 WeakPolarHBondContact O-CB 3.28Å; D147-C151 PolarHBondContact O-N 3.09Å; D147-C151 PolarHBondContact O-SG 2.96Å; D147-I182 VanDerWaalsContact OD1-CD1 3.3Å; D147-I182 WeakPolarHBondContact OD1-CD1 3.28Å; D147-I182 WeakPolarHBondContact OD1-CG1 3.47Å; D147-R184 IonicContact OD1-NH2 3.54Å; D147-R184 IonicContact OD2-CZ 2.66Å; D147-R184 IonicContact OD2-NH1 2.76Å; D147-R184 PolarHBondContact OD2-NH1 3.45Å; D147-R184 IonicContact OD2-NH2 3.65Å; D147-R184 PolarHBondContact OD2-NH2 3.25Å; D147-F434 PolarHBondContact N-O 3.2Å
148Q90.1Very high82.2Confident34 Ų3443.7 Ų43.716%0.15922%0.222CC..Hα-helixtrans-57.1-46.4174.5-77.2171.960.200113.1S146 R152 G435 D436 F441 T443S146-Q148 VanDerWaalsContact C-N 3.33Å; S146-Q148 PolarHBondContact O-N 3.37Å; Q148-R152 VanDerWaalsContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CB 3.35Å; Q148-R152 PolarHBondContact O-N 3.19Å; Q148-G435 PolarHBondContact NE2-O 2.93Å; Q148-D436 HydrophobicContact CG-CB 4.46Å; Q148-D436 WeakPolarHBondContact CG-OD1 3.37Å; Q148-F441 PolarHBondContact NE2-O 3Å; Q148-T443 WeakPolarHBondContact CB-OG1 3.28Å
149I91.7Very high79.2Confident0 Ų050.7 Ų50.70%026%0.258CS..Hα-helixtrans-75.8-38.4-179-72.6174.7000110.8M142 K143 S146 D147 R152 F153 L447M142-I149 HydrophobicContact CB-CB 4.24Å; M142-I149 HydrophobicContact CB-CD1 3.38Å; M142-I149 HydrophobicContact CB-CG1 4.37Å; M142-I149 HydrophobicContact CB-CG2 3.99Å; M142-I149 HydrophobicContact CE-CD1 4.11Å; M142-I149 HydrophobicContact CG-CD1 3.92Å; K143-I149 HydrophobicContact CB-CG2 4.32Å; S146-I149 PolarHBondContact O-N 3.01Å; D147-I149 PolarHBondContact O-N 3.47Å; I149-R152 PolarHBondContact O-N 2.83Å; I149-F153 HydrophobicContact CG2-CD2 3.92Å; I149-F153 HydrophobicContact CG2-CE2 4Å; I149-F153 VanDerWaalsContact O-CD2 3.31Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 PolarHBondContact O-N 3.3Å; I149-L447 HydrophobicContact CD1-CB 4.37Å; I149-L447 HydrophobicContact CD1-CD2 4.49Å
150A88.9Confident75.9Confident14 Ų1454 Ų5412%0.11629%0.291CS..Hα-helixtrans-56.2-54.6172.800000110.6S146 D147 R152 F153 I154 I182S146-A150 WeakPolarHBondContact O-CB 3.29Å; S146-A150 PolarHBondContact O-N 3.41Å; D147-A150 PolarHBondContact O-N 2.98Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.95Å; A150-F153 CarbonylContact O-C 3.45Å; A150-F153 PolarHBondContact O-N 3.42Å; A150-F153 VanDerWaalsContact O-N 3.17Å; A150-I154 WeakPolarHBondContact O-CG1 3.42Å; A150-I154 PolarHBondContact O-N 3.34Å; A150-I154 VanDerWaalsContact O-N 3.14Å; A150-I182 HydrophobicContact CB-CD1 3.72Å; A150-I182 HydrophobicContact CB-CG1 4.08Å
151C89.2Confident72.7Confident66 Ų6659.1 Ų59.145%0.44633%0.328SS..Hα-helixtrans-58.2-39.5178.5-72.90000113.5D147 F153 I154D147-C151 VanDerWaalsContact O-CB 3.23Å; D147-C151 WeakPolarHBondContact O-CB 3.28Å; D147-C151 PolarHBondContact O-N 3.09Å; D147-C151 PolarHBondContact O-SG 2.96Å; C151-F153 VanDerWaalsContact C-N 3.27Å; C151-F153 PolarHBondContact O-N 2.83Å; C151-I154 HydrophobicContact CB-CD1 4.33Å; C151-I154 PolarHBondContact O-N 2.87Å
152R89.7Confident69.4Low57 Ų5766.1 Ų66.122%0.21537%0.365CS..Hα-helixtrans-59.9-36.1177.9178175.5175.6167.9-2.3113.1Q148 I149 A150 D279 S444 D448Q148-R152 VanDerWaalsContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CB 3.35Å; Q148-R152 PolarHBondContact O-N 3.19Å; I149-R152 PolarHBondContact O-N 2.83Å; A150-R152 VanDerWaalsContact C-N 3.33Å; A150-R152 PolarHBondContact O-N 2.95Å; R152-D279 IonicContact CZ-OD1 3.19Å; R152-D279 VanDerWaalsContact CZ-OD1 3.26Å; R152-D279 IonicContact CZ-OD2 3.23Å; R152-D279 IonicContact NE-OD1 3.7Å; R152-D279 PolarHBondContact NE-OD1 3.17Å; R152-D279 IonicContact NE-OD2 2.69Å; R152-D279 VanDerWaalsContact NH2-CG 3.25Å; R152-D279 IonicContact NH2-OD1 2.89Å; R152-D279 PolarHBondContact NH2-OD1 3.34Å; R152-D279 IonicContact NH2-OD2 3.79Å; R152-D279 PolarHBondContact NH2-OD2 3.29Å; R152-S444 PolarHBondContact NH1-O 3.48Å; R152-S444 VanDerWaalsContact NH1-O 3.09Å; R152-S444 PolarHBondContact NH1-OG 3.39Å; R152-D448 IonicContact CZ-OD1 3.71Å; R152-D448 IonicContact NH1-OD1 2.72Å; R152-D448 PolarHBondContact NH1-OD1 3.25Å; R152-D448 IonicContact NH1-OD2 3.13Å; R152-D448 IonicContact NH2-OD1 2.72Å; R152-D448 PolarHBondContact NH2-OD1 3.38Å
153F86.3Confident66.2Low5 Ų571.6 Ų71.62%0.02240%0.4CS..THydrogen-bonded Turntrans-107.323.3-179.7-61.3-73.7000112.7V139 K143 I149 A150 C151 L276 D279 L447V139-F153 HydrophobicContact CG1-CD2 4.08Å; V139-F153 HydrophobicContact CG1-CE2 3.65Å; V139-F153 HydrophobicContact CG1-CZ 4.01Å; V139-F153 HydrophobicContact CG2-CE2 4.48Å; V139-F153 HydrophobicContact CG2-CZ 4.5Å; K143-F153 PolarHBondContact NZ-O 2.88Å; I149-F153 HydrophobicContact CG2-CD2 3.92Å; I149-F153 HydrophobicContact CG2-CE2 4Å; I149-F153 VanDerWaalsContact O-CD2 3.31Å; I149-F153 WeakPolarHBondContact O-CD2 3.38Å; I149-F153 PolarHBondContact O-N 3.3Å; A150-F153 CarbonylContact O-C 3.45Å; A150-F153 PolarHBondContact O-N 3.42Å; A150-F153 VanDerWaalsContact O-N 3.17Å; C151-F153 VanDerWaalsContact C-N 3.27Å; C151-F153 PolarHBondContact O-N 2.83Å; F153-L276 HydrophobicContact CB-CD2 3.99Å; F153-L276 HydrophobicContact CD1-CD2 3.6Å; F153-L276 HydrophobicContact CD2-CD2 4.2Å; F153-L276 HydrophobicContact CE1-CD2 4.03Å; F153-L276 HydrophobicContact CG-CD2 3.68Å; F153-D279 HydrophobicContact CD1-CB 4.37Å; F153-D279 HydrophobicContact CE1-CB 3.59Å; F153-D279 HydrophobicContact CZ-CB 4.35Å; F153-L447 HydrophobicContact CE2-CD2 3.7Å; F153-L447 HydrophobicContact CZ-CD2 3.88Å
154I79.8Confident63.3Low88 Ų8874.3 Ų74.345%0.45143%0.425SS..SBendtrans-68.8139.8168.5-74.5176.7000108.7A150 C151 N156A150-I154 WeakPolarHBondContact O-CG1 3.42Å; A150-I154 PolarHBondContact O-N 3.34Å; A150-I154 VanDerWaalsContact O-N 3.14Å; C151-I154 HydrophobicContact CB-CD1 4.33Å; C151-I154 PolarHBondContact O-N 2.87Å; I154-N156 PolarHBondContact O-N 3.39Å
155K62.6Low60.9Low113 Ų11376 Ų7649%0.49145%0.45SS..  trans-50.2121.2171.5-172.8174.6178.4171.10109.4D157 E271K155-D157 WeakPolarHBondContact CD-OD1 3.42Å; K155-D157 WeakPolarHBondContact CE-OD1 3.39Å; K155-D157 WeakPolarHBondContact CG-OD1 3.31Å; K155-D157 IonicContact NZ-OD1 2.7Å; K155-D157 PolarHBondContact O-N 3.45Å; K155-E271 WeakPolarHBondContact CE-OE2 3.2Å; K155-E271 IonicContact NZ-OE2 2.74Å; K155-E271 PolarHBondContact NZ-OE2 3.3Å
156N47.5Very low58Low116 Ų11684.1 Ų84.162%0.6249%0.493SS*.  trans-66.576.1166-81.2-26.6000108.9I154 N158 I159I154-N156 PolarHBondContact O-N 3.39Å; N156-N158 PolarHBondContact O-N 2.83Å; N156-I159 PolarHBondContact O-N 3.46Å
157D38.9Very low55.1Low125 Ų12587 Ų8767%0.66852%0.522SS*.THydrogen-bonded Turntrans-66.510.3173.8-91.6-17.8000113.5K155K155-D157 WeakPolarHBondContact CD-OD1 3.42Å; K155-D157 WeakPolarHBondContact CE-OD1 3.39Å; K155-D157 WeakPolarHBondContact CG-OD1 3.31Å; K155-D157 IonicContact NZ-OD1 2.7Å; K155-D157 PolarHBondContact O-N 3.45Å
158N36.9Very low52.5Low163 Ų16392.5 Ų92.587%0.87256%0.559SS**THydrogen-bonded Turntrans-98.21.1171.6-75.7-21.4000114.5N156N156-N158 PolarHBondContact O-N 2.83Å
159I32.2Very low49.7Very low149 Ų14997.4 Ų97.476%0.76459%0.591SS**SBendtrans-132.9102.3175.5-55.8175000110N156N156-I159 PolarHBondContact O-N 3.46Å
160G28.3Very low46.7Very low68 Ų68104.8 Ų104.870%0.70163%0.63SS**  trans109.874.5165.400000113.9L162G160-L162 VanDerWaalsContact C-N 3.31Å; G160-L162 PolarHBondContact O-N 3.25Å
161S26.5Very low43.9Very low116 Ų116109.6 Ų109.681%0.81166%0.66SS**  trans-48.1103.7142.849.60000108.5P163S161-P163 WeakPolarHBondContact O-CD 3.27Å
162L25.3Very low40.8Very low149 Ų149116.2 Ų116.278%0.7868%0.681SS**  trans-62.6122.9156.9-169.172.3000105.4G160 S164G160-L162 VanDerWaalsContact C-N 3.31Å; G160-L162 PolarHBondContact O-N 3.25Å; L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.47Å
163P27.4Very low37.8Very low115 Ų115125 Ų12575%0.74771%0.714SS**  trans-67.495.8179.726.2-30.1000107.7S161 A165S161-P163 WeakPolarHBondContact O-CD 3.27Å; P163-A165 VanDerWaalsContact C-N 3.26Å; P163-A165 PolarHBondContact O-N 3.39Å
164S30.6Very low34.8Very low104 Ų104134.1 Ų134.173%0.72775%0.754SS**  trans-66.595.7163.5-67.10000106.4L162 L166L162-S164 VanDerWaalsContact C-N 3.31Å; L162-S164 PolarHBondContact O-N 3.47Å; S164-L166 PolarHBondContact O-N 3.5Å
165A35.5Very low32.4Very low88 Ų88135.4 Ų135.473%0.72777%0.77SS**SBendtrans-53.1130.3158.100000107.1P163P163-A165 VanDerWaalsContact C-N 3.26Å; P163-A165 PolarHBondContact O-N 3.39Å
166L30.1Very low30.7Very low179 Ų179134.3 Ų134.394%0.93777%0.773SS**SBendtrans94.280.1-178.2-51.3158.8000115.1S164S164-L166 PolarHBondContact O-N 3.5Å
167G31.6Very low29.7Very low60 Ų60136.6 Ų136.662%0.61979%0.786SS**SBendtrans146.8137.5154.600000115.3
168P33.5Very low29.3Very low134 Ų134137.7 Ų137.787%0.8779%0.786SS**  trans-70.3132.7-179.514.4-9.2000112.3L170P168-L170 PolarHBondContact O-N 3.03Å
169V30.4Very low29.2Very low136 Ų136137.7 Ų137.782%0.82478%0.778SS**  trans-63.5109-177.9178.40000110.7
170L29.9Very low29.5Very low156 Ų156138 Ų13882%0.81778%0.777SS**  trans-64.6137.4162.3-85.2159.6000109.4P168P168-L170 PolarHBondContact O-N 3.03Å
171P29.1Very low30.1Very low114 Ų114140.8 Ų140.874%0.7478%0.775SS**  trans-67.4138.2-170.626.1-33000112R173P171-R173 PolarHBondContact O-N 3.16Å
172K25.5Very low31.2Very low206 Ų206137 Ų13790%0.89675%0.745SS**  trans-45.6106.9178.4-68.3178.7177.3-179.60111.5K174K172-K174 PolarHBondContact O-N 3.27Å
173R25.6Very low31.9Very low241 Ų241133.9 Ų133.991%0.90974%0.735SS**  trans-66.3118.2163.7-163.2175.2-175.5177.40.9106.6P171 S175P171-R173 PolarHBondContact O-N 3.16Å; R173-S175 PolarHBondContact O-N 3.25Å
174K24.6Very low33Very low197 Ų197132.2 Ų132.286%0.85771%0.714SS**  trans-52.1108.2171.3-71.3179.8178.6178.40107.2K172 T176K172-K174 PolarHBondContact O-N 3.27Å; K174-T176 PolarHBondContact O-N 3.02Å
175S28.7Very low33.4Very low114 Ų114134.3 Ų134.380%0.79772%0.717SS**  trans-64.1105.8176.8-172.30000106.9R173 N177R173-S175 PolarHBondContact O-N 3.25Å; S175-N177 PolarHBondContact O-N 3.06Å
176T26.9Very low33.6Very low90 Ų90133.9 Ų133.955%0.55271%0.706SS**  trans-55.3132.5160.338.90000106.2K174 H178K174-T176 PolarHBondContact O-N 3.02Å; T176-H178 PolarHBondContact O-N 3.19Å; T176-H178 PolarHBondContact OG1-CD2 3.39Å; T176-H178 PolarHBondContact OG1-NE2 3.49Å
177N27.2Very low34Very low165 Ų165127.9 Ų127.988%0.88268%0.678SS**  trans-58.971171.8-86.2-33.8000109.8S175 K179S175-N177 PolarHBondContact O-N 3.06Å; N177-K179 PolarHBondContact O-N 3.14Å
178H29.5Very low34.7Very low148 Ų148125.8 Ų125.869%0.68565%0.652SS**  trans-72.194.7160.5-74.9-67.3000104.1T176 H180T176-H178 PolarHBondContact O-N 3.19Å; T176-H178 PolarHBondContact OG1-CD2 3.39Å; T176-H178 PolarHBondContact OG1-NE2 3.49Å; H178-H180 VanDerWaalsContact C-N 3.32Å; H178-H180 PolarHBondContact O-N 3.17Å
179K36Very low35Very low162 Ų162122.7 Ų122.770%0.70463%0.632SS**  trans-41.7108.3157.2-70.7-175.1174.4-166.20105.6N177 L181N177-K179 PolarHBondContact O-N 3.14Å; K179-L181 PolarHBondContact O-N 3.5Å
180H36.7Very low35.5Very low157 Ų157121.1 Ų121.173%0.72761%0.612SS**  trans-70.682.9-179.6-131.3-87.4000105.5H178 I182H178-H180 VanDerWaalsContact C-N 3.32Å; H178-H180 PolarHBondContact O-N 3.17Å; H180-I182 PolarHBondContact O-N 3.07Å; H180-I182 VanDerWaalsContact O-N 3.16Å
181L42.7Very low35.7Very low126 Ų126115.4 Ų115.466%0.6659%0.585SS**  trans-58.3121.3173.4-72.1163.4000105.7K179 S183K179-L181 PolarHBondContact O-N 3.5Å; L181-S183 PolarHBondContact O-N 2.95Å
182I49Very low36.2Very low37 Ų37118.3 Ų118.319%0.1959%0.592CS.*  trans-48.9122.5169.7-64172.4000106.3D147 A150 H180 R184D147-I182 VanDerWaalsContact OD1-CD1 3.3Å; D147-I182 WeakPolarHBondContact OD1-CD1 3.28Å; D147-I182 WeakPolarHBondContact OD1-CG1 3.47Å; A150-I182 HydrophobicContact CB-CD1 3.72Å; A150-I182 HydrophobicContact CB-CG1 4.08Å; H180-I182 PolarHBondContact O-N 3.07Å; H180-I182 VanDerWaalsContact O-N 3.16Å; I182-R184 VanDerWaalsContact C-N 3.3Å; I182-R184 PolarHBondContact O-N 3.23Å
183S40.7Very low36.4Very low82 Ų82112.5 Ų112.557%0.57357%0.571SS**  trans-65.398171.2-178.20000107.5L181 N185L181-S183 PolarHBondContact O-N 2.95Å; S183-N185 PolarHBondContact O-N 3.47Å
184R49.9Very low36.6Very low80 Ų80101.7 Ų101.730%0.30253%0.534SS..THydrogen-bonded Turntrans-71.9-0.6178.6-69.7-175.1170.895.44.3112.6D147 I182 T186 N432D147-R184 IonicContact OD1-NH2 3.54Å; D147-R184 IonicContact OD2-CZ 2.66Å; D147-R184 IonicContact OD2-NH1 2.76Å; D147-R184 PolarHBondContact OD2-NH1 3.45Å; D147-R184 IonicContact OD2-NH2 3.65Å; D147-R184 PolarHBondContact OD2-NH2 3.25Å; I182-R184 VanDerWaalsContact C-N 3.3Å; I182-R184 PolarHBondContact O-N 3.23Å; R184-T186 PolarHBondContact O-N 2.93Å; R184-T186 VanDerWaalsContact O-N 3.15Å; R184-N432 VanDerWaalsContact CZ-ND2 3.29Å; R184-N432 PolarHBondContact NH1-ND2 3.05Å; R184-N432 PolarHBondContact NH2-ND2 3.4Å; R184-N432 PolarHBondContact NH2-OD1 3.12Å
185N39.5Very low36.9Very low149 Ų14996.8 Ų96.880%0.79752%0.524SS*.THydrogen-bonded Turntrans-75.913.4172.7-77.64.4000113.8S183 C187S183-N185 PolarHBondContact O-N 3.47Å; N185-C187 VanDerWaalsContact C-N 3.26Å; N185-C187 PolarHBondContact O-N 3.4Å
186T39.5Very low37.1Very low79 Ų7997.9 Ų97.949%0.48552%0.516SS..  trans-73.984.1175.649.70000110.2R184 Q188R184-T186 PolarHBondContact O-N 2.93Å; R184-T186 VanDerWaalsContact O-N 3.15Å; T186-Q188 VanDerWaalsContact C-N 3.33Å; T186-Q188 PolarHBondContact O-N 3.44Å; T186-Q188 PolarHBondContact O-NE2 3.23Å; T186-Q188 PolarHBondContact OG1-NE2 2.76Å
187C38.6Very low37.4Very low53 Ų5398.4 Ų98.436%0.35852%0.519SS..  trans-50.3106.6149.4-66.60000106.2N185 D193 V197N185-C187 VanDerWaalsContact C-N 3.26Å; N185-C187 PolarHBondContact O-N 3.4Å; C187-D193 HydrophobicContact CB-CB 4.11Å; C187-V197 HydrophobicContact CB-CG2 3.97Å
188Q45Very low37.7Very low15 Ų1596.5 Ų96.57%0.0751%0.513CS..  trans-64.2149.4-175.4-56.6-69.4-55.700108.9R144 T186 W190 S191 A194R144-Q188 VanDerWaalsContact NH2-CD 3.31Å; T186-Q188 VanDerWaalsContact C-N 3.33Å; T186-Q188 PolarHBondContact O-N 3.44Å; T186-Q188 PolarHBondContact O-NE2 3.23Å; T186-Q188 PolarHBondContact OG1-NE2 2.76Å; Q188-W190 HydrophobicContact CB-CD2 4.33Å; Q188-W190 HydrophobicContact CB-CG 4.42Å; Q188-W190 PolarHBondContact O-N 3.26Å; Q188-S191 PolarHBondContact N-OG 3.24Å; Q188-S191 PolarHBondContact O-N 2.69Å; Q188-S191 PolarHBondContact O-OG 2.72Å; Q188-A194 WeakPolarHBondContact O-CA 3.33Å; Q188-A194 WeakPolarHBondContact O-CB 3.35Å
189P40.3Very low37.7Very low70 Ų7099.2 Ų99.246%0.45552%0.517SS..THydrogen-bonded Turntrans-56.6-15173.5-23.732.3000115.1A194 W305P189-A194 WeakPolarHBondContact O-CB 3.35Å; P189-W305 HydrophobicContact CB-CH2 3.55Å; P189-W305 HydrophobicContact CB-CZ2 3.82Å; P189-W305 HydrophobicContact CG-CH2 4.03Å; P189-W305 HydrophobicContact CG-CZ2 3.86Å
190W40.5Very low37.2Very low102 Ų10297.4 Ų97.439%0.38652%0.52SS..THydrogen-bonded Turntrans-119.36.9174.75682.3000113.8Q188 E316Q188-W190 HydrophobicContact CB-CD2 4.33Å; Q188-W190 HydrophobicContact CB-CG 4.42Å; Q188-W190 PolarHBondContact O-N 3.26Å; W190-E316 HydrophobicContact CH2-CG 3.72Å; W190-E316 HydrophobicContact CZ3-CG 3.75Å
191S34.8Very low36.7Very low37 Ų3795.3 Ų95.326%0.25952%0.523SS..SBendtrans-71.5154.8166.266.10000109Q188 D193 A194Q188-S191 PolarHBondContact N-OG 3.24Å; Q188-S191 PolarHBondContact O-N 2.69Å; Q188-S191 PolarHBondContact O-OG 2.72Å; S191-D193 PolarHBondContact O-N 2.92Å; S191-A194 WeakPolarHBondContact O-CB 3.31Å; S191-A194 PolarHBondContact O-N 2.9Å; S191-A194 PolarHBondContact OG-N 3.36Å
192I39.4Very low36Very low175 Ų17595 Ų9590%0.89753%0.529SS*.THydrogen-bonded Turntrans-50.6-29.5176.2-73.2166.1000111.6
193D29.5Very low35.1Very low83 Ų8398.6 Ų98.644%0.44456%0.557SS.*THydrogen-bonded Turntrans-91.4-0.4-179.6-120.82.2000115.4C187 S191 S195 E196C187-D193 HydrophobicContact CB-CB 4.11Å; S191-D193 PolarHBondContact O-N 2.92Å; D193-S195 PolarHBondContact O-N 3.04Å; D193-S195 VanDerWaalsContact O-N 3.14Å; D193-E196 PolarHBondContact O-N 3.39Å
194A30Very low34.4Very low15 Ų15104.6 Ų104.612%0.12457%0.573CS.*Hα-helixtrans-53.4-35.7175.900000113.2Q188 P189 S191 E196 V197Q188-A194 WeakPolarHBondContact O-CA 3.33Å; Q188-A194 WeakPolarHBondContact O-CB 3.35Å; P189-A194 WeakPolarHBondContact O-CB 3.35Å; S191-A194 WeakPolarHBondContact O-CB 3.31Å; S191-A194 PolarHBondContact O-N 2.9Å; S191-A194 PolarHBondContact OG-N 3.36Å; A194-E196 PolarHBondContact O-N 3.15Å; A194-V197 PolarHBondContact O-N 3Å
195S31.7Very low33.6Very low93 Ų93104.3 Ų104.365%0.6558%0.583SS**Hα-helixtrans-66.9-22.9-172.8-47.80000112.1D193D193-S195 PolarHBondContact O-N 3.04Å; D193-S195 VanDerWaalsContact O-N 3.14Å
196E31.6Very low33.5Very low137 Ų137103 Ų10364%0.6458%0.575SS**Hα-helixtrans-86.1-27.8178.6-74.4-160.4153.300113.5D193 A194 V198 R199D193-E196 PolarHBondContact O-N 3.39Å; A194-E196 PolarHBondContact O-N 3.15Å; E196-V198 PolarHBondContact O-N 3.29Å; E196-R199 PolarHBondContact O-N 3.49Å; E196-R199 VanDerWaalsContact O-N 3.08Å
197V33.8Very low33Very low102 Ų102104 Ų10462%0.61858%0.577SS**Hα-helixtrans-67.5-17.1178.4-177.10000112.3C187 A194 R199C187-V197 HydrophobicContact CB-CG2 3.97Å; A194-V197 PolarHBondContact O-N 3Å; V197-R199 PolarHBondContact O-N 3.03Å
198V33.7Very low32.7Very low124 Ų124110.1 Ų110.175%0.75260%0.6SS**THydrogen-bonded Turntrans-66.6-12.1173.4-177.80000112.3E196 T200E196-V198 PolarHBondContact O-N 3.29Å; V198-T200 PolarHBondContact O-N 3.02Å; V198-T200 VanDerWaalsContact O-N 3.16Å
199R28.1Very low32Very low205 Ų205116.9 Ų116.977%0.77463%0.632SS**SBendtrans-86.387.2172.9-63.8-171.3-168.1-1574.9111.5E196 V197E196-R199 PolarHBondContact O-N 3.49Å; E196-R199 VanDerWaalsContact O-N 3.08Å; V197-R199 PolarHBondContact O-N 3.03Å
200T26.3Very low31.5Very low125 Ų125120.3 Ų120.377%0.76764%0.642SS**  trans42.892.1148.4610000116.7V198V198-T200 PolarHBondContact O-N 3.02Å; V198-T200 VanDerWaalsContact O-N 3.16Å
201S26.3Very low31Very low112 Ų112122.6 Ų122.678%0.78366%0.661SS**  trans-94118.5145.6-75.50000107.9S203S201-S203 PolarHBondContact O-N 3.05Å
202P28.1Very low30.9Very low120 Ų120125.3 Ų125.378%0.77968%0.68SS**  trans-72.7102.2175.728.2-29.2000108K204P202-K204 PolarHBondContact O-N 2.78Å
203S30Very low30.3Very low113 Ų113125.1 Ų125.179%0.7968%0.675SS**  trans-55115.6165.2-650000107.8S201 S205S201-S203 PolarHBondContact O-N 3.05Å; S203-S205 PolarHBondContact O-N 3.22Å
204K27.1Very low30.3Very low207 Ų207126.5 Ų126.590%0.969%0.691SS**  trans-60.188170.4-71.3179177.9178.40107.7P202 I206P202-K204 PolarHBondContact O-N 2.78Å; K204-I206 PolarHBondContact O-N 2.9Å
205S33Very low29.9Very low75 Ų75134.5 Ų134.552%0.52473%0.726SS.*  trans-68.4128.917772.70000108.4S203 L207 Q208S203-S205 PolarHBondContact O-N 3.22Å; S205-L207 PolarHBondContact O-N 3.43Å; S205-Q208 PolarHBondContact O-N 3.35Å
206I36.4Very low29.5Very low122 Ų122140.9 Ų140.963%0.62674%0.738SS**THydrogen-bonded Turntrans-57-9.4173.7-73.7161.5000112K204 Q208 Q209 Q210K204-I206 PolarHBondContact O-N 2.9Å; I206-Q208 VanDerWaalsContact C-N 3.26Å; I206-Q208 PolarHBondContact O-N 2.7Å; I206-Q209 PolarHBondContact O-N 3.15Å; I206-Q209 VanDerWaalsContact O-N 3.1Å; I206-Q210 HydrophobicContact CG2-CG 4.23Å; I206-Q210 PolarHBondContact O-N 3.32Å
207L28.6Very low29.3Very low100 Ų100139.9 Ų139.952%0.52474%0.743SS.*Hα-helixtrans-62.3-24.1177.8-110.2151.1000114.3S205 Q209 L211S205-L207 PolarHBondContact O-N 3.43Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; L207-L211 HydrophobicContact CD2-CD1 4.35Å
208Q32.7Very low29Very low180 Ų180143.4 Ų143.484%0.84176%0.756SS**Hα-helixtrans-79.7-14.5175.6-161.5133.29.100113.6S205 I206S205-Q208 PolarHBondContact O-N 3.35Å; I206-Q208 VanDerWaalsContact C-N 3.26Å; I206-Q208 PolarHBondContact O-N 2.7Å
209Q31.1Very low28.3Very low158 Ų158145.9 Ų145.974%0.73876%0.76SS**Hα-helixtrans-98.4-20.9179.1-113176.1-9.400113.9I206 L207 S212I206-Q209 PolarHBondContact O-N 3.15Å; I206-Q209 VanDerWaalsContact O-N 3.1Å; L207-Q209 VanDerWaalsContact C-N 3.33Å; Q209-S212 PolarHBondContact O-OG 3.45Å
210Q29.2Very low28.1Very low142 Ų142141 Ų14166%0.66476%0.757SS**Hα-helixtrans-90.1-17-178.2-70.3-174.4-37.200114.1I206 S212I206-Q210 HydrophobicContact CG2-CG 4.23Å; I206-Q210 PolarHBondContact O-N 3.32Å; Q210-S212 VanDerWaalsContact C-N 3.26Å; Q210-S212 PolarHBondContact O-N 2.61Å
211L30.4Very low27.8Very low149 Ų149144.3 Ų144.378%0.7876%0.761SS**THydrogen-bonded Turntrans-76.4-5.7177.6-78.6165.5000114.5L207L207-L211 HydrophobicContact CD2-CD1 4.35Å
212S31.4Very low27.8Very low94 Ų94145.7 Ų145.766%0.65776%0.758SS**THydrogen-bonded Turntrans-95.91.4176.548.20000115.1Q209 Q210Q209-S212 PolarHBondContact O-OG 3.45Å; Q210-S212 VanDerWaalsContact C-N 3.26Å; Q210-S212 PolarHBondContact O-N 2.61Å
213Q28.4Very low27.7Very low171 Ų171146.2 Ų146.280%0.79976%0.755SS**SBendtrans-138.166.4-176.4-67-174.61.900113.2
214S28.3Very low27.4Very low112 Ų112145.9 Ų145.978%0.78375%0.752SS**  trans-156.7102.8146.7120.20000109.2
215Q21.4Very low28Very low184 Ų184141.2 Ų141.286%0.8674%0.743SS**  trans-101.7101.7167.4-82.3177.3-28.800106.6
216Y24.8Very low27.9Very low227 Ų227146.5 Ų146.589%0.8976%0.764SS**  trans-149140.4151.8-79.1-71.1000109.7
217P25.5Very low27.2Very low116 Ų116147.4 Ų147.475%0.75377%0.771SS**  trans-99.5132-163.334.9-27.2000112.9
218I27.5Very low27Very low175 Ų175148.9 Ų148.990%0.89778%0.779SS**  trans-133.5132.8155.5-61.9-178.9000108.7
219Q20.8Very low26.9Very low177 Ų177148.1 Ų148.183%0.82778%0.779SS**  trans-77.1136.9-168-74.9159.6-53.300115
220S22.1Very low26.4Very low101 Ų101150 Ų15071%0.70679%0.785SS**  56.7135.4128.3750000123.9
221K21.6Very low26.3Very low195 Ų195150.8 Ų150.885%0.84879%0.793SS**  trans90.8126.4161.6-64.4-179.3175.3-179.70114.5
222L26.1Very low25.9Very low141 Ų141152.3 Ų152.374%0.73880%0.795SS**  cis-165.1135.628.6-164.169.6000110.8
223D24.7Very low26.1Very low132 Ų132153.4 Ų153.471%0.70680%0.8SS**  trans46.9106.3145.4-51.7-18000124.4
224S24.9Very low25.8Very low105 Ų105154.6 Ų154.673%0.73481%0.806SS**  13.7174.4117.961.10000122.8
225P39.6Very low25.5Very low109 Ų109155.8 Ų155.871%0.70881%0.809SS**  cis-139151.6-49.437.9-21.3000113.2
226L30.8Very low26.4Very low186 Ų186152.4 Ų152.497%0.97480%0.803SS**  trans-138.789.3158.8-93.2168.1000110.5
227N21.7Very low26.4Very low142 Ų142149.2 Ų149.276%0.75980%0.801SS**  trans-99.8145.5166.7-138.87.5000107.4
228N24.3Very low26.4Very low131 Ų131148.2 Ų148.270%0.70180%0.797SS**  trans9296.2167-54-18.4000118.6
229I30.2Very low26.3Very low164 Ų164144.9 Ų144.984%0.84179%0.789SS**  trans-130.199.4135.7-60.7-178.3000108.3I231I229-I231 HydrophobicContact CG2-CG1 4.48Å
230F20.3Very low26.6Very low196 Ų196143 Ų14386%0.8678%0.784SS**  trans-96.7124161.5-106.1-92.4000107.2
231I28.2Very low26.9Very low160 Ų160145.1 Ų145.182%0.82179%0.793SS**  trans-137.6136158.4-62.6-175.3000109.7I229I229-I231 HydrophobicContact CG2-CG1 4.48Å
232Q20.8Very low27.1Very low180 Ų180142.9 Ų142.984%0.84179%0.785SS**  trans-82.1176.2-173.1-95.6-176.6-4.700114.8
233P36.1Very low27.2Very low117 Ų117141.6 Ų141.676%0.7678%0.784SS**  trans-100.3156.1-156.737.9-32.8000116.1
234Q22.1Very low27.2Very low197 Ų197141 Ų14192%0.92179%0.787SS**  trans-133.3151.4163.9-71.6-168.6-4.300111.7
235T22.5Very low27.2Very low137 Ų137144 Ų14484%0.8479%0.794SS**  trans-93.5-166.6-166.257.80000113
236P41Very low26.7Very low113 Ų113142.9 Ų142.973%0.73479%0.793SS**  -115.6151.4-111.532.3-11.4000114.9
237N24.7Very low26.5Very low159 Ų159139.9 Ų139.985%0.8579%0.785SS**  trans-149.5127.1156.5-102.3-16.7000111.9
238S24Very low26.7Very low96 Ų96141.3 Ų141.367%0.67179%0.792SS**  trans20.5119.5150.361.90000120.5
239S26.2Very low27.1Very low104 Ų104139.6 Ų139.673%0.72780%0.796SS**  trans45.787.4134.658.80000118.1
240D27.4Very low26.9Very low137 Ų137137.5 Ų137.573%0.73379%0.791SS**  trans-153.799.9136.7-85.8-37.8000107.4H242D240-H242 PolarHBondContact O-N 3.23Å
241V28Very low27.4Very low146 Ų146136.3 Ų136.389%0.88579%0.793SS**  trans-76.571.5166.7-176.50000106.8T243V241-T243 PolarHBondContact O-N 3.04Å
242H26.4Very low27.5Very low149 Ų149137 Ų13769%0.6979%0.793SS**  trans-75.6106.9154.9-76.6-61.2000106.4D240 P244D240-H242 PolarHBondContact O-N 3.23Å; H242-P244 WeakPolarHBondContact O-CD 3.23Å
243T26.5Very low27.9Very low114 Ų114138.2 Ų138.270%0.69980%0.799SS**  trans-43.1116.7156.6-52.30000106.9V241 L245V241-T243 PolarHBondContact O-N 3.04Å; T243-L245 PolarHBondContact O-N 3.17Å
244P25.8Very low27.8Very low119 Ų119142 Ų14277%0.77380%0.804SS**  trans-62.1111.4-172.9-5.911.6000108.4H242 A246H242-P244 WeakPolarHBondContact O-CD 3.23Å; P244-A246 PolarHBondContact O-N 3.35Å
245L24.5Very low28.1Very low169 Ų169136 Ų13689%0.88579%0.794SS**  trans-62.1105.6160.3-94.6122.1000105.8T243T243-L245 PolarHBondContact O-N 3.17Å
246A28.9Very low28.9Very low84 Ų84133.7 Ų133.769%0.69479%0.789SS**  trans-55.5140.6167.400000108.7P244 L248P244-A246 PolarHBondContact O-N 3.35Å; A246-L248 PolarHBondContact O-N 2.92Å
247P27.8Very low28.6Very low124 Ų124136 Ų13681%0.80579%0.794SS**  trans-59139.9-174-18.730000110.9A249P247-A249 PolarHBondContact O-N 2.88Å
248L24.9Very low29.5Very low172 Ų172132.4 Ų132.490%0.90178%0.78SS**  trans-5598.5170.6-136.582.4000107.9A246 T250A246-L248 PolarHBondContact O-N 2.92Å; L248-T250 PolarHBondContact O-N 2.86Å; L248-T250 VanDerWaalsContact O-N 3.09Å
249A33.6Very low30.9Very low94 Ų94131.5 Ų131.578%0.77777%0.767SS**  trans-66.1112.2173.200000107.1P247P247-A249 PolarHBondContact O-N 2.88Å
250T24.3Very low32.3Very low121 Ų121130.1 Ų130.174%0.74276%0.762SS**  trans-58.6143.4171.443.40000110.1L248 E252L248-T250 PolarHBondContact O-N 2.86Å; L248-T250 VanDerWaalsContact O-N 3.09Å; T250-E252 PolarHBondContact O-N 3.34Å
251D31.8Very low33.5Very low170 Ų170130 Ų13091%0.90976%0.756SS**  trans-55.894.4176.1-60.1-54.2000110.8
252E31Very low35Very low175 Ų175126 Ų12682%0.81873%0.727SS**  trans-124.1116.1158.7-75.5-161.6171.600109.6T250 F254T250-E252 PolarHBondContact O-N 3.34Å; E252-F254 PolarHBondContact O-N 3.43Å
253E28.9Very low36.7Very low205 Ų205121.1 Ų121.196%0.95871%0.713SS**  trans-69.760.5-173.7-149.5171-160.500111G255E253-G255 PolarHBondContact O-N 3.42Å
254F32.8Very low38.7Very low198 Ų198118.5 Ų118.587%0.86870%0.703SS**  trans-86100.9164.7-153.1-95.6000107.2E252 A256E252-F254 PolarHBondContact O-N 3.43Å; F254-A256 PolarHBondContact O-N 3.16Å
255G30Very low40.9Very low69 Ų69114.8 Ų114.871%0.71168%0.676SS**  trans-44.5103.5-17900000111E253 L257E253-G255 PolarHBondContact O-N 3.42Å; G255-L257 PolarHBondContact O-N 3.3Å
256A38.2Very low43.4Very low89 Ų89108.2 Ų108.274%0.73664%0.643SS**  trans-63.9100.9177.600000106.9F254 P258F254-A256 PolarHBondContact O-N 3.16Å; A256-P258 VanDerWaalsContact O-CD 3.24Å; A256-P258 WeakPolarHBondContact O-CD 3.45Å; A256-P258 VanDerWaalsContact O-N 3.09Å
257L34.9Very low45.9Very low162 Ų162107.9 Ų107.985%0.84863%0.632SS**  trans-53.8115.3159.1-163.279000104.8G255 D259G255-L257 PolarHBondContact O-N 3.3Å; L257-D259 PolarHBondContact O-N 3.37Å; L257-D259 VanDerWaalsContact O-N 3.09Å
258P43.2Very low48.6Very low84 Ų84108 Ų10855%0.54562%0.622SS.*  trans-54.4126.1178.8-20.831.1000106.9A256 A260A256-P258 VanDerWaalsContact O-CD 3.24Å; A256-P258 WeakPolarHBondContact O-CD 3.45Å; A256-P258 VanDerWaalsContact O-N 3.09Å; P258-A260 PolarHBondContact O-N 3.13Å
259D54.1Low51.6Low76 Ų76100.4 Ų100.441%0.40658%0.583SS.*  trans-52.1119.9175.5-171.7-1.3000106L257 F261 E262 A263L257-D259 PolarHBondContact O-N 3.37Å; L257-D259 VanDerWaalsContact O-N 3.09Å; D259-F261 CarbonylContact O-C 3.59Å; D259-F261 PolarHBondContact O-N 3.46Å; D259-E262 HydrophobicContact CB-CB 4.1Å; D259-E262 WeakPolarHBondContact O-CA 3.41Å; D259-E262 VanDerWaalsContact O-CB 3.29Å; D259-E262 WeakPolarHBondContact O-CB 3.4Å; D259-E262 PolarHBondContact O-N 3.5Å; D259-A263 PolarHBondContact O-N 3.21Å
260A55.7Low54.4Low76 Ų7699.2 Ų99.263%0.62856%0.558SS**Hα-helixtrans-56.7-24.2-16700000112.2P258P258-A260 PolarHBondContact O-N 3.13Å
261F53.2Low57.5Low135 Ų13597.3 Ų97.359%0.59254%0.54SS*.Hα-helixtrans-73.9-38.6172.6-62.6-79000113.6D259 A263 A264 D265 F306D259-F261 CarbonylContact O-C 3.59Å; D259-F261 PolarHBondContact O-N 3.46Å; F261-A263 VanDerWaalsContact C-N 3.31Å; F261-A263 PolarHBondContact O-N 3.34Å; F261-A264 PolarHBondContact O-N 2.94Å; F261-D265 PolarHBondContact O-N 3.5Å; F261-F306 HydrophobicContact CB-CZ 4.39Å
262E59.6Low60.2Low60 Ų6091.2 Ų91.228%0.2851%0.507SS..Hα-helixtrans-59.8-42174.5-177.3180-171.800110.9D259 A264 V266 A303D259-E262 HydrophobicContact CB-CB 4.1Å; D259-E262 WeakPolarHBondContact O-CA 3.41Å; D259-E262 VanDerWaalsContact O-CB 3.29Å; D259-E262 WeakPolarHBondContact O-CB 3.4Å; D259-E262 PolarHBondContact O-N 3.5Å; E262-A264 PolarHBondContact O-N 2.89Å; E262-V266 WeakPolarHBondContact O-CB 3.35Å; E262-V266 WeakPolarHBondContact O-CG2 3.49Å; E262-V266 PolarHBondContact O-N 3.23Å; E262-A303 WeakPolarHBondContact OE1-CB 3.38Å
263A61Low63.2Low47 Ų4782.9 Ų82.939%0.38847%0.468SS..Hα-helixtrans-64.8-38.6179.400000112.7D259 F261 V267D259-A263 PolarHBondContact O-N 3.21Å; F261-A263 VanDerWaalsContact C-N 3.31Å; F261-A263 PolarHBondContact O-N 3.34Å; A263-V267 WeakPolarHBondContact O-CB 3.35Å; A263-V267 WeakPolarHBondContact O-CG2 2.96Å; A263-V267 PolarHBondContact O-N 3.04Å; A263-V267 VanDerWaalsContact O-N 3.12Å
264A69.6Low66.2Low60 Ų6077.7 Ų77.750%0.49644%0.44SS..Hα-helixtrans-68.5-47.1-177.500000112.6F261 E262 V266 V267 E268F261-A264 PolarHBondContact O-N 2.94Å; E262-A264 PolarHBondContact O-N 2.89Å; A264-V266 PolarHBondContact O-N 2.82Å; A264-V267 PolarHBondContact O-N 3.45Å; A264-E268 PolarHBondContact O-N 3.4Å
265D70.2Confident69Low40 Ų4068.9 Ų68.921%0.21440%0.404CS..Hα-helixtrans-65.7-38.6-179.7-71.9-26.3000111.7F261 V267 E268 L269 N312F261-D265 PolarHBondContact O-N 3.5Å; D265-V267 VanDerWaalsContact C-N 3.33Å; D265-V267 PolarHBondContact O-N 3.41Å; D265-E268 PolarHBondContact O-N 3.29Å; D265-L269 WeakPolarHBondContact O-CB 3.33Å; D265-L269 PolarHBondContact O-N 3.04Å; D265-N312 PolarHBondContact OD1-ND2 3.1Å; D265-N312 PolarHBondContact OD2-OD1 2.74Å
266V78.1Confident72Confident31 Ų3165.6 Ų65.619%0.18837%0.37CS..Hα-helixtrans-64.6-38.81761720000111E262 A264 L269 R270 E299E262-V266 WeakPolarHBondContact O-CB 3.35Å; E262-V266 WeakPolarHBondContact O-CG2 3.49Å; E262-V266 PolarHBondContact O-N 3.23Å; A264-V266 PolarHBondContact O-N 2.82Å; V266-L269 PolarHBondContact O-N 3.21Å; V266-R270 WeakPolarHBondContact O-CB 2.89Å; V266-R270 PolarHBondContact O-N 3.16Å; V266-E299 HydrophobicContact CG1-CB 4.02Å; V266-E299 HydrophobicContact CG1-CG 3.83Å
267V80.1Confident74.7Confident77 Ų7762.7 Ų62.747%0.46734%0.342SS..Hα-helixtrans-64.8-45176.11700000111.2A263 A264 D265 L269 R270 E271A263-V267 WeakPolarHBondContact O-CB 3.35Å; A263-V267 WeakPolarHBondContact O-CG2 2.96Å; A263-V267 PolarHBondContact O-N 3.04Å; A263-V267 VanDerWaalsContact O-N 3.12Å; A264-V267 PolarHBondContact O-N 3.45Å; D265-V267 VanDerWaalsContact C-N 3.33Å; D265-V267 PolarHBondContact O-N 3.41Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 3.1Å; V267-R270 WeakPolarHBondContact O-CB 3.42Å; V267-R270 PolarHBondContact O-N 3.2Å; V267-E271 HydrophobicContact CG1-CG 4.49Å; V267-E271 WeakPolarHBondContact O-CG 3.24Å; V267-E271 PolarHBondContact O-N 2.91Å
268E85.6Confident77.4Confident127 Ų12760.3 Ų60.359%0.59333%0.326SS*.Hα-helixtrans-60.5-45177.1-173.3-178.3178.600111.5A264 D265 R270 E271 M272A264-E268 PolarHBondContact O-N 3.4Å; D265-E268 PolarHBondContact O-N 3.29Å; E268-R270 VanDerWaalsContact C-N 3.34Å; E268-R270 PolarHBondContact O-N 3.29Å; E268-E271 PolarHBondContact O-N 3.46Å; E268-M272 VanDerWaalsContact O-CB 3.28Å; E268-M272 WeakPolarHBondContact O-CB 3.43Å; E268-M272 PolarHBondContact O-N 3Å
269L88.3Confident79.8Confident13 Ų1357.4 Ų57.47%0.06831%0.306CS..Hα-helixtrans-58.3-46.1175.3170.963.5000111.8D265 V266 V267 M272 L273 F298 A302 Y313 P315D265-L269 WeakPolarHBondContact O-CB 3.33Å; D265-L269 PolarHBondContact O-N 3.04Å; V266-L269 PolarHBondContact O-N 3.21Å; V267-L269 VanDerWaalsContact C-N 3.35Å; V267-L269 PolarHBondContact O-N 3.1Å; L269-M272 HydrophobicContact CD1-CE 3.93Å; L269-M272 WeakPolarHBondContact O-CB 2.93Å; L269-M272 PolarHBondContact O-N 3.27Å; L269-L273 HydrophobicContact CD1-CD1 4.02Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 4.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 2.8Å; L269-F298 HydrophobicContact CD2-CB 4.46Å; L269-A302 HydrophobicContact CD2-CB 3.51Å; L269-Y313 HydrophobicContact CD2-CD1 3.93Å; L269-Y313 HydrophobicContact CD2-CE1 4.32Å; L269-P315 HydrophobicContact CD1-CG 3.28Å
270R91.3Very high81.7Confident69 Ų6960.8 Ų60.826%0.2632%0.319SS..Hα-helixtrans-61.4-47.8-180-166.6-173.2-168.1114.7-2.2111.4V266 V267 E268 M272 L273 R274 E292 I295 E299V266-R270 WeakPolarHBondContact O-CB 2.89Å; V266-R270 PolarHBondContact O-N 3.16Å; V267-R270 WeakPolarHBondContact O-CB 3.42Å; V267-R270 PolarHBondContact O-N 3.2Å; E268-R270 VanDerWaalsContact C-N 3.34Å; E268-R270 PolarHBondContact O-N 3.29Å; R270-M272 VanDerWaalsContact C-N 3.32Å; R270-M272 PolarHBondContact O-N 3.27Å; R270-L273 PolarHBondContact O-N 2.94Å; R270-R274 WeakPolarHBondContact O-CB 3.12Å; R270-R274 WeakPolarHBondContact O-CG 3.31Å; R270-R274 PolarHBondContact O-N 2.96Å; R270-E292 IonicContact CZ-OE2 3.57Å; R270-E292 IonicContact NE-OE2 2.83Å; R270-E292 IonicContact NH2-OE2 3.34Å; R270-E292 PolarHBondContact NH2-OE2 2.85Å; R270-I295 HydrophobicContact CB-CG2 4.43Å; R270-I295 HydrophobicContact CG-CG2 3.75Å; R270-E299 WeakPolarHBondContact CB-OE1 3.33Å; R270-E299 WeakPolarHBondContact CD-OE1 3.34Å; R270-E299 WeakPolarHBondContact CG-OE1 3.39Å; R270-E299 IonicContact CZ-OE1 3.81Å; R270-E299 IonicContact NE-OE1 2.85Å; R270-E299 IonicContact NH1-OE1 3.55Å; R270-E299 PolarHBondContact NH1-OE1 3.43Å; R270-E299 IonicContact NH1-OE2 3.71Å; R270-E299 PolarHBondContact NH1-OE2 3.23Å; R270-E299 VanDerWaalsContact NH1-OE2 3.13Å
271E89.7Confident83.5Confident80 Ų8059.7 Ų59.737%0.37430%0.301SS..Hα-helixtrans-60.5-43.2177.2-72.9-177.9176.500111.4K155 V267 E268 L273 R274 A275K155-E271 WeakPolarHBondContact CE-OE2 3.2Å; K155-E271 IonicContact NZ-OE2 2.74Å; K155-E271 PolarHBondContact NZ-OE2 3.3Å; V267-E271 HydrophobicContact CG1-CG 4.49Å; V267-E271 WeakPolarHBondContact O-CG 3.24Å; V267-E271 PolarHBondContact O-N 2.91Å; E268-E271 PolarHBondContact O-N 3.46Å; E271-L273 PolarHBondContact O-N 3.36Å; E271-R274 PolarHBondContact O-N 3.48Å; E271-A275 WeakPolarHBondContact O-CB 3.15Å; E271-A275 PolarHBondContact O-N 3.05Å
272M89.4Confident85.5Confident42 Ų4253.3 Ų53.321%0.20727%0.272CS..Hα-helixtrans-59.1-46177.6-173.7-74.6-67.300112K143 E268 L269 R270 A275 P315K143-M272 HydrophobicContact CD-SD 4.23Å; K143-M272 PolarHBondContact NZ-SD 3.13Å; E268-M272 VanDerWaalsContact O-CB 3.28Å; E268-M272 WeakPolarHBondContact O-CB 3.43Å; E268-M272 PolarHBondContact O-N 3Å; L269-M272 HydrophobicContact CD1-CE 3.93Å; L269-M272 WeakPolarHBondContact O-CB 2.93Å; L269-M272 PolarHBondContact O-N 3.27Å; R270-M272 VanDerWaalsContact C-N 3.32Å; R270-M272 PolarHBondContact O-N 3.27Å; M272-A275 WeakPolarHBondContact O-CB 3.36Å; M272-A275 PolarHBondContact O-N 3.2Å; M272-P315 HydrophobicContact CE-CG 3.68Å
273L93.2Very high87.2Confident0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-69.8-37.7177.7-68.9174.6000112.1L140 L269 R270 E271 A275 L276 I290 I295 F298 P315L140-L273 HydrophobicContact CD2-CD2 4.04Å; L269-L273 HydrophobicContact CD1-CD1 4.02Å; L269-L273 HydrophobicContact CD1-CG 4.23Å; L269-L273 HydrophobicContact CG-CD1 4.31Å; L269-L273 WeakPolarHBondContact O-CG 3.46Å; L269-L273 PolarHBondContact O-N 2.8Å; R270-L273 PolarHBondContact O-N 2.94Å; E271-L273 PolarHBondContact O-N 3.36Å; L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 3.01Å; L273-L276 HydrophobicContact CD2-CD1 4.21Å; L273-L276 WeakPolarHBondContact O-CB 3.37Å; L273-L276 WeakPolarHBondContact O-CG 3.39Å; L273-L276 PolarHBondContact O-N 3.46Å; L273-I290 HydrophobicContact CB-CD1 4.36Å; L273-I290 HydrophobicContact CD1-CD1 4.16Å; L273-I290 HydrophobicContact CD2-CD1 4.07Å; L273-I290 HydrophobicContact CG-CD1 4.43Å; L273-I290 WeakPolarHBondContact O-CG2 3.46Å; L273-I295 HydrophobicContact CB-CD1 4.25Å; L273-I295 HydrophobicContact CB-CG1 3.98Å; L273-I295 HydrophobicContact CB-CG2 4.49Å; L273-I295 HydrophobicContact CD1-CB 4.48Å; L273-I295 HydrophobicContact CD1-CG1 4.31Å; L273-I295 HydrophobicContact CD1-CG2 4.14Å; L273-F298 HydrophobicContact CD1-CB 3.77Å; L273-F298 HydrophobicContact CD1-CD2 3.89Å; L273-F298 HydrophobicContact CD1-CG 3.97Å; L273-P315 HydrophobicContact CD2-CG 4.47Å
274R92.5Very high88.8Confident97 Ų9756.9 Ų56.937%0.36629%0.288SS..Hα-helixtrans-64.1-34.8174.2-78-178.1171.6162.3-3112.6R270 E271 L276 N277 E292 I295R270-R274 WeakPolarHBondContact O-CB 3.12Å; R270-R274 WeakPolarHBondContact O-CG 3.31Å; R270-R274 PolarHBondContact O-N 2.96Å; E271-R274 PolarHBondContact O-N 3.48Å; R274-L276 PolarHBondContact O-N 3.33Å; R274-N277 WeakPolarHBondContact O-CB 3.47Å; R274-N277 PolarHBondContact O-N 2.94Å; R274-N277 VanDerWaalsContact O-N 3.07Å; R274-E292 IonicContact CZ-OE1 2.61Å; R274-E292 IonicContact CZ-OE2 2.84Å; R274-E292 IonicContact NE-OE1 2.73Å; R274-E292 PolarHBondContact NE-OE1 3.24Å; R274-E292 IonicContact NE-OE2 2.73Å; R274-E292 PolarHBondContact NE-OE2 3.45Å; R274-E292 IonicContact NH2-OE1 3.41Å; R274-E292 PolarHBondContact NH2-OE1 2.99Å; R274-E292 IonicContact NH2-OE2 3.18Å; R274-E292 PolarHBondContact NH2-OE2 3.45Å; R274-I295 HydrophobicContact CG-CD1 3.78Å
275A91.4Very high89.9Confident13 Ų1354.4 Ų54.411%0.10727%0.267CS..Hα-helixtrans-60.1-28.3177.200000112.3E271 M272 L273 N277 Q278E271-A275 WeakPolarHBondContact O-CB 3.15Å; E271-A275 PolarHBondContact O-N 3.05Å; M272-A275 WeakPolarHBondContact O-CB 3.36Å; M272-A275 PolarHBondContact O-N 3.2Å; L273-A275 VanDerWaalsContact C-N 3.3Å; L273-A275 PolarHBondContact O-N 3.01Å; A275-N277 PolarHBondContact O-N 3.41Å; A275-Q278 WeakPolarHBondContact O-CB 3.23Å; A275-Q278 PolarHBondContact O-N 3.43Å
276L93.1Very high91.1Very high0 Ų054.1 Ų54.10%026%0.264CS..Hα-helixtrans-59.5-34.9175.1-56.3-176.3000112.5L136 V139 L140 F153 L273 R274 Q278L136-L276 HydrophobicContact CD1-CD1 3.78Å; V139-L276 HydrophobicContact CG1-CD1 4.35Å; V139-L276 HydrophobicContact CG1-CD2 3.8Å; L140-L276 HydrophobicContact CD2-CD1 4.22Å; F153-L276 HydrophobicContact CB-CD2 3.99Å; F153-L276 HydrophobicContact CD1-CD2 3.6Å; F153-L276 HydrophobicContact CD2-CD2 4.2Å; F153-L276 HydrophobicContact CE1-CD2 4.03Å; F153-L276 HydrophobicContact CG-CD2 3.68Å; L273-L276 HydrophobicContact CD2-CD1 4.21Å; L273-L276 WeakPolarHBondContact O-CB 3.37Å; L273-L276 WeakPolarHBondContact O-CG 3.39Å; L273-L276 PolarHBondContact O-N 3.46Å; R274-L276 PolarHBondContact O-N 3.33Å; L276-Q278 VanDerWaalsContact C-N 3.28Å; L276-Q278 PolarHBondContact O-N 3.14Å
277N94.5Very high91.8Very high27 Ų2754.3 Ų54.314%0.14427%0.272CS..THydrogen-bonded Turntrans-78.4-12.1178.5-64.1-29.5000113R274 A275 D279 K283 L289 I290R274-N277 WeakPolarHBondContact O-CB 3.47Å; R274-N277 PolarHBondContact O-N 2.94Å; R274-N277 VanDerWaalsContact O-N 3.07Å; A275-N277 PolarHBondContact O-N 3.41Å; N277-D279 VanDerWaalsContact C-N 3.3Å; N277-K283 WeakPolarHBondContact O-CE 3.3Å; N277-K283 WeakPolarHBondContact O-CG 3.31Å; N277-L289 PolarHBondContact OD1-N 2.89Å; N277-I290 PolarHBondContact ND2-O 3.21Å; N277-I290 PolarHBondContact OD1-N 3.43Å
278Q92.2Very high92.5Very high113 Ų11353.8 Ų53.853%0.52827%0.269SS..THydrogen-bonded Turntrans-79.3-18.1-179.8-63.8-178.4-0.600112.6A275 L276 K283A275-Q278 WeakPolarHBondContact O-CB 3.23Å; A275-Q278 PolarHBondContact O-N 3.43Å; L276-Q278 VanDerWaalsContact C-N 3.28Å; L276-Q278 PolarHBondContact O-N 3.14Å; Q278-K283 WeakPolarHBondContact O-CE 3.49Å; Q278-K283 PolarHBondContact O-NZ 3.26Å
279D93.2Very high93Very high23 Ų2347.8 Ų47.812%0.12324%0.241CC..  trans-61.6137.2-179.4179.887.1000113R152 F153 N277 K281 V282 K283R152-D279 IonicContact CZ-OD1 3.19Å; R152-D279 VanDerWaalsContact CZ-OD1 3.26Å; R152-D279 IonicContact CZ-OD2 3.23Å; R152-D279 IonicContact NE-OD1 3.7Å; R152-D279 PolarHBondContact NE-OD1 3.17Å; R152-D279 IonicContact NE-OD2 2.69Å; R152-D279 VanDerWaalsContact NH2-CG 3.25Å; R152-D279 IonicContact NH2-OD1 2.89Å; R152-D279 PolarHBondContact NH2-OD1 3.34Å; R152-D279 IonicContact NH2-OD2 3.79Å; R152-D279 PolarHBondContact NH2-OD2 3.29Å; F153-D279 HydrophobicContact CD1-CB 4.37Å; F153-D279 HydrophobicContact CE1-CB 3.59Å; F153-D279 HydrophobicContact CZ-CB 4.35Å; N277-D279 VanDerWaalsContact C-N 3.3Å; D279-K281 PolarHBondContact O-N 3.01Å; D279-K281 WeakPolarHBondContact OD2-CA 3.25Å; D279-K281 WeakPolarHBondContact OD2-CB 3.47Å; D279-K281 PolarHBondContact OD2-N 2.87Å; D279-V282 HydrophobicContact CB-CB 4.02Å; D279-V282 HydrophobicContact CB-CG2 3.89Å; D279-V282 PolarHBondContact O-N 2.92Å; D279-V282 PolarHBondContact OD2-N 3.44Å; D279-K283 WeakPolarHBondContact O-CG 3.05Å; D279-K283 PolarHBondContact O-N 3.05Å
280Q93.6Very high93.4Very high146 Ų14647.1 Ų47.168%0.68224%0.238SC*.Hα-helixtrans-66.7-36.6-174.2-173.264.96.900112.9S284Q280-S284 PolarHBondContact O-N 3.37Å; Q280-S284 VanDerWaalsContact O-N 3.11Å; Q280-S284 PolarHBondContact O-OG 3.37Å
281K94.1Very high93.7Very high54 Ų5446.2 Ų46.224%0.23524%0.24CC..Hα-helixtrans-76-35.3178.8-170.564.5179.8170.30110.8D279 S284 S285 D448 L451 D452D279-K281 PolarHBondContact O-N 3.01Å; D279-K281 WeakPolarHBondContact OD2-CA 3.25Å; D279-K281 WeakPolarHBondContact OD2-CB 3.47Å; D279-K281 PolarHBondContact OD2-N 2.87Å; K281-S284 WeakPolarHBondContact CA-OG 3.34Å; K281-S284 PolarHBondContact O-N 3.43Å; K281-S284 PolarHBondContact O-OG 3.45Å; K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.49Å; K281-S285 VanDerWaalsContact O-N 3.08Å; K281-S285 PolarHBondContact O-OG 2.89Å; K281-D448 WeakPolarHBondContact CB-OD1 3.46Å; K281-D448 HydrophobicContact CD-CB 4.44Å; K281-D448 VanDerWaalsContact CE-O 3.23Å; K281-D448 WeakPolarHBondContact CE-O 3.37Å; K281-D448 HydrophobicContact CG-CB 4.1Å; K281-D448 WeakPolarHBondContact CG-OD1 3.15Å; K281-L451 HydrophobicContact CB-CD1 4.3Å; K281-L451 HydrophobicContact CG-CB 4.36Å; K281-L451 HydrophobicContact CG-CD1 3.97Å; K281-D452 IonicContact NZ-OD1 3.63Å; K281-D452 PolarHBondContact NZ-OD1 2.99Å
282V94.7Very high94Very high0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-60.1-48171.1170.80000111D279 S284 S285 F286 G287 L289 L451D279-V282 HydrophobicContact CB-CB 4.02Å; D279-V282 HydrophobicContact CB-CG2 3.89Å; D279-V282 PolarHBondContact O-N 2.92Å; D279-V282 PolarHBondContact OD2-N 3.44Å; V282-S284 PolarHBondContact O-N 3.42Å; V282-S285 PolarHBondContact O-N 3.3Å; V282-S285 PolarHBondContact O-OG 2.88Å; V282-F286 PolarHBondContact O-N 2.99Å; V282-G287 PolarHBondContact O-N 2.87Å; V282-L289 HydrophobicContact CG1-CB 3.67Å; V282-L289 HydrophobicContact CG2-CD2 4.37Å; V282-L451 HydrophobicContact CG2-CD1 3.94Å
283K94.8Very high94.3Very high105 Ų10552.5 Ų52.546%0.45727%0.266SS..Hα-helixtrans-60.8-40.3178.1-75.8170.7175.81610113.5N277 Q278 D279 G287N277-K283 WeakPolarHBondContact O-CE 3.3Å; N277-K283 WeakPolarHBondContact O-CG 3.31Å; Q278-K283 WeakPolarHBondContact O-CE 3.49Å; Q278-K283 PolarHBondContact O-NZ 3.26Å; D279-K283 WeakPolarHBondContact O-CG 3.05Å; D279-K283 PolarHBondContact O-N 3.05Å; K283-G287 WeakPolarHBondContact O-CA 3.47Å; K283-G287 PolarHBondContact O-N 3.49Å
284S94.9Very high94.5Very high78 Ų7853.3 Ų53.355%0.54527%0.27SS..Hα-helixtrans-79.8-16.6-17954.20000114.5Q280 K281 V282Q280-S284 PolarHBondContact O-N 3.37Å; Q280-S284 VanDerWaalsContact O-N 3.11Å; Q280-S284 PolarHBondContact O-OG 3.37Å; K281-S284 WeakPolarHBondContact CA-OG 3.34Å; K281-S284 PolarHBondContact O-N 3.43Å; K281-S284 PolarHBondContact O-OG 3.45Å; V282-S284 PolarHBondContact O-N 3.42Å
285S93.7Very high94.7Very high8 Ų848.7 Ų48.76%0.05625%0.252CS..Hα-helixtrans-97.6-75.9176.851.50000111.5K281 V282 Y455K281-S285 WeakPolarHBondContact O-CB 3.31Å; K281-S285 PolarHBondContact O-N 3.49Å; K281-S285 VanDerWaalsContact O-N 3.08Å; K281-S285 PolarHBondContact O-OG 2.89Å; V282-S285 PolarHBondContact O-N 3.3Å; V282-S285 PolarHBondContact O-OG 2.88Å; S285-Y455 WeakPolarHBondContact O-CD2 3.49Å; S285-Y455 WeakPolarHBondContact O-CE2 3.16Å
286F95Very high94.9Very high34 Ų3450.1 Ų50.115%0.14926%0.262CS..THydrogen-bonded Turntrans-94.4-11.9-176.2-68.3-81.8000113.7L128 M131 R132 V282 V288 L451 Y455L128-F286 HydrophobicContact CD2-CD1 4.46Å; L128-F286 HydrophobicContact CD2-CE1 4.18Å; M131-F286 HydrophobicContact CB-CE1 4.28Å; M131-F286 HydrophobicContact CB-CZ 4.08Å; R132-F286 HydrophobicContact CB-CD1 4.02Å; R132-F286 HydrophobicContact CB-CE1 4.16Å; R132-F286 HydrophobicContact CG-CD1 4.45Å; V282-F286 PolarHBondContact O-N 2.99Å; F286-V288 PolarHBondContact O-N 3.15Å; F286-L451 HydrophobicContact CD2-CD2 4.07Å; F286-L451 HydrophobicContact CE2-CD2 4.07Å; F286-Y455 HydrophobicContact CD1-CD2 4.34Å; F286-Y455 HydrophobicContact CE1-CD2 4.4Å
287G93.6Very high95Very high34 Ų3452 Ų5235%0.35128%0.275SS..SBendtrans75.2-56.7-171.700000112.2V282 K283V282-G287 PolarHBondContact O-N 2.87Å; K283-G287 WeakPolarHBondContact O-CA 3.47Å; K283-G287 PolarHBondContact O-N 3.49Å
288V94.9Very high95.1Very high67 Ų6750.7 Ų50.741%0.40627%0.268SS..  trans-130.5122.9177.7176.30000108.4R132 F286 I290 T291R132-V288 WeakPolarHBondContact CD-O 3.41Å; F286-V288 PolarHBondContact O-N 3.15Å; V288-I290 WeakPolarHBondContact CG1-O 3.35Å; V288-T291 HydrophobicContact CG1-CG2 4.44Å
289L95.4Very high95.1Very high0 Ų046.7 Ų46.70%025%0.249CC..SBendtrans-84.6-39.7176.6-171.166.5000111.7R132 N135 L136 V139 N277 V282 L451R132-L289 VanDerWaalsContact CD-O 3.29Å; R132-L289 WeakPolarHBondContact CD-O 3.39Å; R132-L289 HydrophobicContact CG-CD1 4.08Å; R132-L289 WeakPolarHBondContact CG-O 3.49Å; R132-L289 PolarHBondContact NH1-O 3.36Å; N135-L289 HydrophobicContact CB-CD1 4.02Å; L136-L289 HydrophobicContact CB-CD1 4.4Å; L136-L289 HydrophobicContact CB-CD2 4.48Å; L136-L289 HydrophobicContact CB-CG 4.13Å; L136-L289 HydrophobicContact CD1-CD2 4.12Å; L136-L289 HydrophobicContact CD1-CG 4.18Å; V139-L289 HydrophobicContact CG2-CD2 4.16Å; N277-L289 PolarHBondContact OD1-N 2.89Å; V282-L289 HydrophobicContact CG1-CB 3.67Å; V282-L289 HydrophobicContact CG2-CD2 4.37Å; L289-L451 HydrophobicContact CD1-CD2 4.36Å
290I96.8Very high95.1Very high0 Ų053.9 Ų53.90%027%0.274CS..SBendtrans-130129.4178.6-168.4176.6000111L136 L273 N277 V288 E294 I295 F298L136-I290 HydrophobicContact CD1-CB 4.13Å; L136-I290 HydrophobicContact CD1-CD1 4.4Å; L136-I290 HydrophobicContact CD2-CB 4.01Å; L136-I290 HydrophobicContact CD2-CD1 3.96Å; L136-I290 HydrophobicContact CD2-CG1 3.91Å; L273-I290 HydrophobicContact CB-CD1 4.36Å; L273-I290 HydrophobicContact CD1-CD1 4.16Å; L273-I290 HydrophobicContact CD2-CD1 4.07Å; L273-I290 HydrophobicContact CG-CD1 4.43Å; L273-I290 WeakPolarHBondContact O-CG2 3.46Å; N277-I290 PolarHBondContact ND2-O 3.21Å; N277-I290 PolarHBondContact OD1-N 3.43Å; V288-I290 WeakPolarHBondContact CG1-O 3.35Å; I290-E294 WeakPolarHBondContact CA-OE2 3.33Å; I290-E294 HydrophobicContact CD1-CB 4.35Å; I290-E294 HydrophobicContact CG1-CB 3.73Å; I290-I295 HydrophobicContact CD1-CG1 3.8Å; I290-I295 HydrophobicContact CG1-CG1 3.92Å; I290-I295 HydrophobicContact CG2-CD1 4.23Å; I290-I295 HydrophobicContact CG2-CG1 4.15Å; I290-F298 HydrophobicContact CD1-CD2 3.95Å; I290-F298 HydrophobicContact CD1-CE2 3.88Å
291T97.1Very high95Very high49 Ų4949.5 Ų49.530%0.30126%0.255SS..  trans-87.3160.8-177.971.70000112.1V288 K293 E294 I295V288-T291 HydrophobicContact CG1-CG2 4.44Å; T291-K293 VanDerWaalsContact C-N 3.26Å; T291-K293 PolarHBondContact O-N 3.16Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.41Å; T291-E294 PolarHBondContact N-OE2 2.94Å; T291-E294 WeakPolarHBondContact O-CB 3.38Å; T291-E294 PolarHBondContact O-N 3.27Å; T291-E294 WeakPolarHBondContact OG1-CG 3.4Å; T291-E294 PolarHBondContact OG1-OE1 3.33Å; T291-E294 PolarHBondContact OG1-OE2 2.86Å; T291-I295 WeakPolarHBondContact O-CG1 3.39Å; T291-I295 PolarHBondContact O-N 2.68Å
292E96.2Very high94.8Very high80 Ų8047.3 Ų47.337%0.37425%0.247SC..Hα-helixtrans-59.4-33.7179.7-69.2-67.8138.600113.5R270 R274 I295 S296R270-E292 IonicContact CZ-OE2 3.57Å; R270-E292 IonicContact NE-OE2 2.83Å; R270-E292 IonicContact NH2-OE2 3.34Å; R270-E292 PolarHBondContact NH2-OE2 2.85Å; R274-E292 IonicContact CZ-OE1 2.61Å; R274-E292 IonicContact CZ-OE2 2.84Å; R274-E292 IonicContact NE-OE1 2.73Å; R274-E292 PolarHBondContact NE-OE1 3.24Å; R274-E292 IonicContact NE-OE2 2.73Å; R274-E292 PolarHBondContact NE-OE2 3.45Å; R274-E292 IonicContact NH2-OE1 3.41Å; R274-E292 PolarHBondContact NH2-OE1 2.99Å; R274-E292 IonicContact NH2-OE2 3.18Å; R274-E292 PolarHBondContact NH2-OE2 3.45Å; E292-I295 PolarHBondContact O-N 2.95Å; E292-S296 PolarHBondContact O-N 3.06Å; E292-S296 PolarHBondContact O-OG 2.9Å
293K96.6Very high94.6Very high174 Ų17448.1 Ų48.176%0.75725%0.253SS*.Hα-helixtrans-70.1-34.4176.2-65.6-176.3-179.4-179.70112.2T291 S297T291-K293 VanDerWaalsContact C-N 3.26Å; T291-K293 PolarHBondContact O-N 3.16Å; K293-S297 PolarHBondContact O-N 3.33Å; K293-S297 VanDerWaalsContact O-N 3.16Å; K293-S297 PolarHBondContact O-OG 2.98Å
294E97.1Very high94.3Very high17 Ų1746.3 Ų46.38%0.07925%0.249CC..Hα-helixtrans-72.7-39.2175.4-69.6153-152.600111R132 Y133 I290 T291 S296 S297 F298 W323R132-E294 IonicContact CZ-OE1 3.47Å; R132-E294 IonicContact CZ-OE2 3.64Å; R132-E294 VanDerWaalsContact NH1-CD 3.33Å; R132-E294 IonicContact NH1-OE1 2.63Å; R132-E294 PolarHBondContact NH1-OE1 3Å; R132-E294 IonicContact NH1-OE2 3.19Å; R132-E294 PolarHBondContact NH1-OE2 3Å; R132-E294 IonicContact NH2-OE1 3.53Å; R132-E294 PolarHBondContact NH2-OE1 3.42Å; R132-E294 IonicContact NH2-OE2 2.93Å; Y133-E294 HydrophobicContact CE1-CG 4.36Å; Y133-E294 PolarHBondContact OH-OE1 2.94Å; I290-E294 WeakPolarHBondContact CA-OE2 3.33Å; I290-E294 HydrophobicContact CD1-CB 4.35Å; I290-E294 HydrophobicContact CG1-CB 3.73Å; T291-E294 WeakPolarHBondContact CG2-OE1 3.41Å; T291-E294 PolarHBondContact N-OE2 2.94Å; T291-E294 WeakPolarHBondContact O-CB 3.38Å; T291-E294 PolarHBondContact O-N 3.27Å; T291-E294 WeakPolarHBondContact OG1-CG 3.4Å; T291-E294 PolarHBondContact OG1-OE1 3.33Å; T291-E294 PolarHBondContact OG1-OE2 2.86Å; E294-S296 VanDerWaalsContact C-N 3.33Å; E294-S296 PolarHBondContact O-N 3.29Å; E294-S297 VanDerWaalsContact O-CB 3.27Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.39Å; E294-S297 VanDerWaalsContact O-N 3.08Å; E294-F298 WeakPolarHBondContact O-CD2 3.47Å; E294-F298 PolarHBondContact O-N 3.41Å; E294-W323 HydrophobicContact CB-CH2 3.78Å; E294-W323 HydrophobicContact CB-CZ3 3.71Å; E294-W323 HydrophobicContact CG-CE3 4.31Å; E294-W323 HydrophobicContact CG-CH2 4.16Å; E294-W323 HydrophobicContact CG-CZ3 3.75Å
295I96.6Very high93.9Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-58.2-48170.7-65.5172.7000110R270 L273 R274 I290 T291 E292 S297 F298 E299R270-I295 HydrophobicContact CB-CG2 4.43Å; R270-I295 HydrophobicContact CG-CG2 3.75Å; L273-I295 HydrophobicContact CB-CD1 4.25Å; L273-I295 HydrophobicContact CB-CG1 3.98Å; L273-I295 HydrophobicContact CB-CG2 4.49Å; L273-I295 HydrophobicContact CD1-CB 4.48Å; L273-I295 HydrophobicContact CD1-CG1 4.31Å; L273-I295 HydrophobicContact CD1-CG2 4.14Å; R274-I295 HydrophobicContact CG-CD1 3.78Å; I290-I295 HydrophobicContact CD1-CG1 3.8Å; I290-I295 HydrophobicContact CG1-CG1 3.92Å; I290-I295 HydrophobicContact CG2-CD1 4.23Å; I290-I295 HydrophobicContact CG2-CG1 4.15Å; T291-I295 WeakPolarHBondContact O-CG1 3.39Å; T291-I295 PolarHBondContact O-N 2.68Å; E292-I295 PolarHBondContact O-N 2.95Å; I295-S297 PolarHBondContact O-N 3.35Å; I295-S297 VanDerWaalsContact O-N 3.11Å; I295-F298 WeakPolarHBondContact O-CA 3.49Å; I295-F298 WeakPolarHBondContact O-CB 3.46Å; I295-F298 PolarHBondContact O-N 2.86Å; I295-E299 HydrophobicContact CG2-CG 4.34Å; I295-E299 WeakPolarHBondContact O-CG 3.2Å; I295-E299 PolarHBondContact O-N 2.94Å
296S95.5Very high93.6Very high44 Ų4446.9 Ų46.931%0.30824%0.239SC..Hα-helixtrans-58.1-28.2176.4-52.40000112.7E292 E294 E299 R300E292-S296 PolarHBondContact O-N 3.06Å; E292-S296 PolarHBondContact O-OG 2.9Å; E294-S296 VanDerWaalsContact C-N 3.33Å; E294-S296 PolarHBondContact O-N 3.29Å; S296-E299 WeakPolarHBondContact CA-OE2 3.48Å; S296-R300 WeakPolarHBondContact O-CG 3.41Å; S296-R300 PolarHBondContact O-N 3.11Å; S296-R300 VanDerWaalsContact O-N 3.1Å
297S94.9Very high93.2Very high39 Ų3953.2 Ų53.227%0.27326%0.262SS..Hα-helixtrans-70.7-38.5175.3-56.60000111.8K293 E294 I295 I301K293-S297 PolarHBondContact O-N 3.33Å; K293-S297 VanDerWaalsContact O-N 3.16Å; K293-S297 PolarHBondContact O-OG 2.98Å; E294-S297 VanDerWaalsContact O-CB 3.27Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.39Å; E294-S297 VanDerWaalsContact O-N 3.08Å; I295-S297 PolarHBondContact O-N 3.35Å; I295-S297 VanDerWaalsContact O-N 3.11Å; S297-I301 WeakPolarHBondContact O-CG1 3.42Å; S297-I301 PolarHBondContact O-N 3.16Å
298F95.3Very high92.9Very high0 Ų061.1 Ų61.10%028%0.281CS..Hα-helixtrans-68.2-39.4171.3-78.2-76.1000112.3L140 L269 L273 I290 E294 I295 R300 I301 A302 Y313 P315 I319 P320 W323L140-F298 HydrophobicContact CD1-CE1 4.49Å; L140-F298 HydrophobicContact CD1-CZ 3.89Å; L269-F298 HydrophobicContact CD2-CB 4.46Å; L273-F298 HydrophobicContact CD1-CB 3.77Å; L273-F298 HydrophobicContact CD1-CD2 3.89Å; L273-F298 HydrophobicContact CD1-CG 3.97Å; I290-F298 HydrophobicContact CD1-CD2 3.95Å; I290-F298 HydrophobicContact CD1-CE2 3.88Å; E294-F298 WeakPolarHBondContact O-CD2 3.47Å; E294-F298 PolarHBondContact O-N 3.41Å; I295-F298 WeakPolarHBondContact O-CA 3.49Å; I295-F298 WeakPolarHBondContact O-CB 3.46Å; I295-F298 PolarHBondContact O-N 2.86Å; F298-R300 VanDerWaalsContact C-N 3.3Å; F298-R300 PolarHBondContact O-N 2.94Å; F298-I301 PolarHBondContact O-N 3.49Å; F298-A302 WeakPolarHBondContact O-CB 3.44Å; F298-A302 PolarHBondContact O-N 2.92Å; F298-Y313 HydrophobicContact CD1-CE1 4.04Å; F298-Y313 WeakPolarHBondContact CD1-OH 3.37Å; F298-P315 HydrophobicContact CD1-CB 3.87Å; F298-P315 HydrophobicContact CD1-CG 4.38Å; F298-P315 HydrophobicContact CE1-CB 3.77Å; F298-I319 HydrophobicContact CE1-CB 4.02Å; F298-I319 HydrophobicContact CE1-CG1 4.33Å; F298-I319 HydrophobicContact CE1-CG2 3.98Å; F298-I319 HydrophobicContact CZ-CB 4.06Å; F298-I319 HydrophobicContact CZ-CG2 3.86Å; F298-P320 HydrophobicContact CZ-CG 4.2Å; F298-W323 AromaticContact CD2-CH2 3.89Å; F298-W323 HydrophobicContact CD2-CH2 3.89Å; F298-W323 AromaticContact CE2-CH2 3.42Å; F298-W323 HydrophobicContact CE2-CH2 3.42Å; F298-W323 VanDerWaalsContact CE2-CH2 3.42Å; F298-W323 HydrophobicContact CE2-CZ2 4.2Å; F298-W323 HydrophobicContact CE2-CZ3 4.05Å; F298-W323 HydrophobicContact CZ-CH2 4.15Å
299E93.1Very high92.5Very high28 Ų2860.7 Ų60.713%0.13128%0.279CS..Hα-helixtrans-59.2-41.7176.5-66.3177149.800111.5V266 R270 I295 S296 I301 A302 A303V266-E299 HydrophobicContact CG1-CB 4.02Å; V266-E299 HydrophobicContact CG1-CG 3.83Å; R270-E299 WeakPolarHBondContact CB-OE1 3.33Å; R270-E299 WeakPolarHBondContact CD-OE1 3.34Å; R270-E299 WeakPolarHBondContact CG-OE1 3.39Å; R270-E299 IonicContact CZ-OE1 3.81Å; R270-E299 IonicContact NE-OE1 2.85Å; R270-E299 IonicContact NH1-OE1 3.55Å; R270-E299 PolarHBondContact NH1-OE1 3.43Å; R270-E299 IonicContact NH1-OE2 3.71Å; R270-E299 PolarHBondContact NH1-OE2 3.23Å; R270-E299 VanDerWaalsContact NH1-OE2 3.13Å; I295-E299 HydrophobicContact CG2-CG 4.34Å; I295-E299 WeakPolarHBondContact O-CG 3.2Å; I295-E299 PolarHBondContact O-N 2.94Å; S296-E299 WeakPolarHBondContact CA-OE2 3.48Å; E299-I301 PolarHBondContact O-N 2.94Å; E299-A302 WeakPolarHBondContact O-CB 3.46Å; E299-A302 PolarHBondContact O-N 2.93Å; E299-A303 PolarHBondContact O-N 2.74Å
300R92.4Very high92Very high175 Ų17567.2 Ų67.266%0.6631%0.307SS*.Hα-helixtrans-61.8-43.5175.2-74.1171.857.8-138-7112.8S296 F298 A302 A303 D304S296-R300 WeakPolarHBondContact O-CG 3.41Å; S296-R300 PolarHBondContact O-N 3.11Å; S296-R300 VanDerWaalsContact O-N 3.1Å; F298-R300 VanDerWaalsContact C-N 3.3Å; F298-R300 PolarHBondContact O-N 2.94Å; R300-A302 VanDerWaalsContact C-N 3.29Å; R300-A302 PolarHBondContact O-N 3.08Å; R300-A303 PolarHBondContact O-N 2.79Å; R300-D304 PolarHBondContact O-N 3.33Å; R300-D304 VanDerWaalsContact O-N 3.13Å
301I92Very high91.4Very high54 Ų5470.5 Ų70.528%0.27733%0.327SS..Hα-helixtrans-65-39.4176.7-60.9165.4000109.8S297 F298 E299 D304 W305 Y313 I319S297-I301 WeakPolarHBondContact O-CG1 3.42Å; S297-I301 PolarHBondContact O-N 3.16Å; F298-I301 PolarHBondContact O-N 3.49Å; E299-I301 PolarHBondContact O-N 2.94Å; I301-D304 PolarHBondContact O-N 2.83Å; I301-W305 VanDerWaalsContact O-CB 3.25Å; I301-W305 WeakPolarHBondContact O-CB 3.29Å; I301-W305 PolarHBondContact O-N 3.5Å; I301-Y313 HydrophobicContact CB-CE2 4.35Å; I301-Y313 HydrophobicContact CG2-CD2 4.28Å; I301-Y313 HydrophobicContact CG2-CE1 4.47Å; I301-Y313 HydrophobicContact CG2-CE2 3.46Å; I301-Y313 VanDerWaalsContact CG2-CE2 3.46Å; I301-Y313 VanDerWaalsContact CG2-OH 3.31Å; I301-Y313 WeakPolarHBondContact CG2-OH 3.46Å; I301-I319 HydrophobicContact CD1-CD1 4.02Å
302A90.2Very high90.7Very high7 Ų772.4 Ų72.46%0.05834%0.336CS..Hα-helixtrans-62.3-45177.900000112.6L269 F298 E299 R300 W305 F306 Y313L269-A302 HydrophobicContact CD2-CB 3.51Å; F298-A302 WeakPolarHBondContact O-CB 3.44Å; F298-A302 PolarHBondContact O-N 2.92Å; E299-A302 WeakPolarHBondContact O-CB 3.46Å; E299-A302 PolarHBondContact O-N 2.93Å; R300-A302 VanDerWaalsContact C-N 3.29Å; R300-A302 PolarHBondContact O-N 3.08Å; A302-W305 PolarHBondContact O-N 2.87Å; A302-F306 WeakPolarHBondContact O-CB 3.45Å; A302-F306 PolarHBondContact O-N 2.77Å; A302-Y313 HydrophobicContact CB-CD1 3.54Å; A302-Y313 HydrophobicContact CB-CE1 4.29Å; A302-Y313 HydrophobicContact CB-CG 3.83Å
303A89.9Confident90.2Very high17 Ų1769.7 Ų69.714%0.1432%0.322CS..Hα-helixtrans-60.5-46.1175.700000111.7E262 E299 R300 W305 R307E262-A303 WeakPolarHBondContact OE1-CB 3.38Å; E299-A303 PolarHBondContact O-N 2.74Å; R300-A303 PolarHBondContact O-N 2.79Å; A303-W305 VanDerWaalsContact C-N 3.34Å; A303-W305 PolarHBondContact O-N 3.39Å; A303-R307 WeakPolarHBondContact O-CB 3.37Å; A303-R307 PolarHBondContact O-N 3.25Å
304D88.5Confident89.7Confident68 Ų6864.8 Ų64.836%0.36431%0.307SS..Hα-helixtrans-64-38.4176.5-77.2-16.1000112.3R300 I301 R308R300-D304 PolarHBondContact O-N 3.33Å; R300-D304 VanDerWaalsContact O-N 3.13Å; I301-D304 PolarHBondContact O-N 2.83Å; D304-R308 WeakPolarHBondContact O-CG 3.22Å; D304-R308 PolarHBondContact O-N 2.96Å
305W87.1Confident89.5Confident66 Ų6664.5 Ų64.525%0.2531%0.306CS..Hα-helixtrans-65.1-53.3177.4-178-88.9000111.1P189 I301 A302 A303 R307 R308 T309 T311 Y313P189-W305 HydrophobicContact CB-CH2 3.55Å; P189-W305 HydrophobicContact CB-CZ2 3.82Å; P189-W305 HydrophobicContact CG-CH2 4.03Å; P189-W305 HydrophobicContact CG-CZ2 3.86Å; I301-W305 VanDerWaalsContact O-CB 3.25Å; I301-W305 WeakPolarHBondContact O-CB 3.29Å; I301-W305 PolarHBondContact O-N 3.5Å; A302-W305 PolarHBondContact O-N 2.87Å; A303-W305 VanDerWaalsContact C-N 3.34Å; A303-W305 PolarHBondContact O-N 3.39Å; W305-R307 VanDerWaalsContact C-N 3.26Å; W305-R307 PolarHBondContact O-N 3.23Å; W305-R308 PolarHBondContact O-N 3.45Å; W305-T309 VanDerWaalsContact CD1-OG1 3.26Å; W305-T309 HydrophobicContact CD2-CG2 4.28Å; W305-T309 HydrophobicContact CZ2-CG2 3.99Å; W305-T309 PolarHBondContact NE1-OG1 3.04Å; W305-T309 VanDerWaalsContact NE1-OG1 3.09Å; W305-T309 PolarHBondContact O-N 2.85Å; W305-T309 PolarHBondContact O-OG1 3.48Å; W305-T309 VanDerWaalsContact O-OG1 3.08Å; W305-T311 VanDerWaalsContact CD1-O 3.27Å; W305-T311 PolarHBondContact NE1-OG1 3.2Å; W305-Y313 HydrophobicContact CB-CD2 4Å; W305-Y313 HydrophobicContact CB-CG 4.47Å; W305-Y313 HydrophobicContact CD2-CD2 4.22Å; W305-Y313 AromaticContact CG-CD2 3.93Å; W305-Y313 HydrophobicContact CG-CD2 3.93Å
306F86.7Confident89.2Confident31 Ų3165.1 Ų65.114%0.13631%0.309CS..Hα-helixtrans-58.7-39.2179.8-176.1-98.9000111.7F261 A302 R308 K310F261-F306 HydrophobicContact CB-CZ 4.39Å; A302-F306 WeakPolarHBondContact O-CB 3.45Å; A302-F306 PolarHBondContact O-N 2.77Å; F306-R308 PolarHBondContact O-N 3.28Å; F306-K310 VanDerWaalsContact O-CA 3.27Å; F306-K310 WeakPolarHBondContact O-CA 3.5Å; F306-K310 PolarHBondContact O-N 3.45Å
307R87.5Confident89.2Confident167 Ų16763.2 Ų63.263%0.6330%0.295SS*.Hα-helixtrans-55.7-38.4174.4-169.6-176.8-56.7-175.13.1112.4A303 W305A303-R307 WeakPolarHBondContact O-CB 3.37Å; A303-R307 PolarHBondContact O-N 3.25Å; W305-R307 VanDerWaalsContact C-N 3.26Å; W305-R307 PolarHBondContact O-N 3.23Å
308R87.8Confident89.3Confident201 Ų20166.1 Ų66.176%0.75830%0.3SS*.Hα-helixtrans-86.1-46.1-176.1-65.2173.2-164.3-169.94.6113.1D304 W305 F306D304-R308 WeakPolarHBondContact O-CG 3.22Å; D304-R308 PolarHBondContact O-N 2.96Å; W305-R308 PolarHBondContact O-N 3.45Å; F306-R308 PolarHBondContact O-N 3.28Å
309T86.5Confident89.4Confident58 Ų5866.9 Ų66.936%0.35630%0.304SS..Hα-helixtrans-104.5-16.9-169.263.30000113.7W305 T311W305-T309 VanDerWaalsContact CD1-OG1 3.26Å; W305-T309 HydrophobicContact CD2-CG2 4.28Å; W305-T309 HydrophobicContact CZ2-CG2 3.99Å; W305-T309 PolarHBondContact NE1-OG1 3.04Å; W305-T309 VanDerWaalsContact NE1-OG1 3.09Å; W305-T309 PolarHBondContact O-N 2.85Å; W305-T309 PolarHBondContact O-OG1 3.48Å; W305-T309 VanDerWaalsContact O-OG1 3.08Å; T309-T311 WeakPolarHBondContact CB-OG1 3.19Å; T309-T311 PolarHBondContact O-N 2.91Å; T309-T311 PolarHBondContact OG1-N 3.34Å; T309-T311 PolarHBondContact OG1-OG1 2.8Å
310K84.9Confident89.6Confident136 Ų13665.6 Ų65.659%0.59130%0.298SS*.SBendtrans55.630.6-171.2-54.6-66178-178.70112.9F306F306-K310 VanDerWaalsContact O-CA 3.27Å; F306-K310 WeakPolarHBondContact O-CA 3.5Å; F306-K310 PolarHBondContact O-N 3.45Å
311T82.8Confident89.9Confident69 Ų6957.2 Ų57.242%0.42327%0.267SS..SBendtrans-128.2154178.758.70000111.6W305 T309 Y313W305-T311 VanDerWaalsContact CD1-O 3.27Å; W305-T311 PolarHBondContact NE1-OG1 3.2Å; T309-T311 WeakPolarHBondContact CB-OG1 3.19Å; T309-T311 PolarHBondContact O-N 2.91Å; T309-T311 PolarHBondContact OG1-N 3.34Å; T309-T311 PolarHBondContact OG1-OG1 2.8Å; T311-Y313 PolarHBondContact O-N 3.46Å
312N82.2Confident90.1Very high90 Ų9059 Ų5948%0.48127%0.274SS..  trans-65.9134.3-178.8-62.928000110.5D265D265-N312 PolarHBondContact OD1-ND2 3.1Å; D265-N312 PolarHBondContact OD2-OD1 2.74Å
313Y86Confident90.5Very high22 Ų2261.3 Ų61.39%0.08628%0.281CS..  trans-79.3134.8179.7171.1-105.2000111.6L269 F298 I301 A302 W305 T311 P315 E316L269-Y313 HydrophobicContact CD2-CD1 3.93Å; L269-Y313 HydrophobicContact CD2-CE1 4.32Å; F298-Y313 HydrophobicContact CD1-CE1 4.04Å; F298-Y313 WeakPolarHBondContact CD1-OH 3.37Å; I301-Y313 HydrophobicContact CB-CE2 4.35Å; I301-Y313 HydrophobicContact CG2-CD2 4.28Å; I301-Y313 HydrophobicContact CG2-CE1 4.47Å; I301-Y313 HydrophobicContact CG2-CE2 3.46Å; I301-Y313 VanDerWaalsContact CG2-CE2 3.46Å; I301-Y313 VanDerWaalsContact CG2-OH 3.31Å; I301-Y313 WeakPolarHBondContact CG2-OH 3.46Å; A302-Y313 HydrophobicContact CB-CD1 3.54Å; A302-Y313 HydrophobicContact CB-CE1 4.29Å; A302-Y313 HydrophobicContact CB-CG 3.83Å; W305-Y313 HydrophobicContact CB-CD2 4Å; W305-Y313 HydrophobicContact CB-CG 4.47Å; W305-Y313 HydrophobicContact CD2-CD2 4.22Å; W305-Y313 AromaticContact CG-CD2 3.93Å; W305-Y313 HydrophobicContact CG-CD2 3.93Å; T311-Y313 PolarHBondContact O-N 3.46Å; Y313-P315 HydrophobicContact CD1-CG 4.46Å; Y313-P315 HydrophobicContact CE1-CB 4.42Å; Y313-P315 HydrophobicContact CE1-CG 4.1Å; Y313-E316 WeakPolarHBondContact CE2-OE1 3.47Å; Y313-E316 WeakPolarHBondContact CE2-OE2 3.33Å; Y313-E316 VanDerWaalsContact CZ-OE2 3.28Å; Y313-E316 PolarHBondContact OH-OE2 3.4Å
314T87.4Confident90.9Very high72 Ų7260.5 Ų60.544%0.44227%0.274SS..  trans-109.5121.2172.6-59.40000109.4E316T314-E316 PolarHBondContact O-N 3.49Å
315P91.6Very high91.4Very high10 Ų1058.8 Ų58.87%0.06526%0.264CS..  trans-57.1126-176.9-32.841.7000113.7L140 L269 M272 L273 F298 Y313L140-P315 HydrophobicContact CD1-CB 4.42Å; L140-P315 HydrophobicContact CD2-CB 4.19Å; L269-P315 HydrophobicContact CD1-CG 3.28Å; M272-P315 HydrophobicContact CE-CG 3.68Å; L273-P315 HydrophobicContact CD2-CG 4.47Å; F298-P315 HydrophobicContact CD1-CB 3.87Å; F298-P315 HydrophobicContact CD1-CG 4.38Å; F298-P315 HydrophobicContact CE1-CB 3.77Å; Y313-P315 HydrophobicContact CD1-CG 4.46Å; Y313-P315 HydrophobicContact CE1-CB 4.42Å; Y313-P315 HydrophobicContact CE1-CG 4.1Å
316E91.4Very high91.9Very high13 Ų1364.3 Ų64.36%0.06129%0.285CS..  trans-82.2129.3177.8-50.487.7162.300111.8W190 Y313 T314 W318 I319W190-E316 HydrophobicContact CH2-CG 3.72Å; W190-E316 HydrophobicContact CZ3-CG 3.75Å; Y313-E316 WeakPolarHBondContact CE2-OE1 3.47Å; Y313-E316 WeakPolarHBondContact CE2-OE2 3.33Å; Y313-E316 VanDerWaalsContact CZ-OE2 3.28Å; Y313-E316 PolarHBondContact OH-OE2 3.4Å; T314-E316 PolarHBondContact O-N 3.49Å; E316-W318 HydrophobicContact CB-CD2 4.3Å; E316-W318 HydrophobicContact CB-CG 4.21Å; E316-W318 HydrophobicContact CB-CZ2 4.28Å; E316-W318 HydrophobicContact CG-CZ2 4.26Å; E316-W318 PolarHBondContact O-N 2.88Å; E316-W318 VanDerWaalsContact O-N 3.16Å; E316-I319 HydrophobicContact CB-CG1 4.18Å; E316-I319 WeakPolarHBondContact O-CB 3.41Å; E316-I319 PolarHBondContact O-N 3.28Å
317Y95.4Very high92.5Very high4 Ų464.6 Ų64.62%0.01629%0.288CS..THydrogen-bonded Turntrans-62.8-21.8179.876-84000113.9A137 M141 I319 P320 I321 M357 Q358A137-Y317 WeakPolarHBondContact CA-O 3.48Å; A137-Y317 WeakPolarHBondContact CB-O 3.41Å; A137-Y317 WeakPolarHBondContact O-CB 3.24Å; M141-Y317 HydrophobicContact CB-CD1 4.34Å; M141-Y317 HydrophobicContact CB-CD2 4.18Å; M141-Y317 HydrophobicContact CB-CG 3.82Å; M141-Y317 HydrophobicContact CG-CD1 4.31Å; M141-Y317 HydrophobicContact CG-CD2 4.47Å; M141-Y317 HydrophobicContact CG-CG 4.19Å; M141-Y317 HydrophobicContact SD-CD2 4.47Å; M141-Y317 HydrophobicContact SD-CE2 4.42Å; Y317-I319 VanDerWaalsContact C-N 3.33Å; Y317-P320 WeakPolarHBondContact O-CD 3.21Å; Y317-I321 HydrophobicContact CD2-CD1 4.14Å; Y317-I321 HydrophobicContact CE2-CD1 4.24Å; Y317-M357 HydrophobicContact CD2-CB 4.39Å; Y317-M357 HydrophobicContact CD2-SD 3.94Å; Y317-M357 HydrophobicContact CE2-CB 3.79Å; Y317-M357 HydrophobicContact CE2-SD 4.18Å; Y317-Q358 PolarHBondContact OH-OE1 2.96Å
318W96.1Very high92.9Very high100 Ų10056.7 Ų56.738%0.37926%0.258SS..Hα-helixtrans-80.6-14.1-178.760-101.3000113E316 I321 Q322E316-W318 HydrophobicContact CB-CD2 4.3Å; E316-W318 HydrophobicContact CB-CG 4.21Å; E316-W318 HydrophobicContact CB-CZ2 4.28Å; E316-W318 HydrophobicContact CG-CZ2 4.26Å; E316-W318 PolarHBondContact O-N 2.88Å; E316-W318 VanDerWaalsContact O-N 3.16Å; W318-I321 WeakPolarHBondContact O-CB 3.5Å; W318-I321 PolarHBondContact O-N 3.02Å; W318-Q322 HydrophobicContact CE3-CG 3.89Å; W318-Q322 HydrophobicContact CZ3-CG 4.17Å; W318-Q322 PolarHBondContact O-N 3.47Å
319I97.2Very high93.4Very high17 Ų1751.3 Ų51.39%0.08724%0.244CC..Hα-helixtrans-62.1-50.9178.3-66.8-76000111.4F298 I301 E316 Y317 I321 Q322 W323F298-I319 HydrophobicContact CE1-CB 4.02Å; F298-I319 HydrophobicContact CE1-CG1 4.33Å; F298-I319 HydrophobicContact CE1-CG2 3.98Å; F298-I319 HydrophobicContact CZ-CB 4.06Å; F298-I319 HydrophobicContact CZ-CG2 3.86Å; I301-I319 HydrophobicContact CD1-CD1 4.02Å; E316-I319 HydrophobicContact CB-CG1 4.18Å; E316-I319 WeakPolarHBondContact O-CB 3.41Å; E316-I319 PolarHBondContact O-N 3.28Å; Y317-I319 VanDerWaalsContact C-N 3.33Å; I319-I321 PolarHBondContact O-N 3.07Å; I319-Q322 WeakPolarHBondContact O-CB 3.37Å; I319-Q322 PolarHBondContact O-N 2.88Å; I319-Q322 VanDerWaalsContact O-N 3.11Å; I319-W323 HydrophobicContact CG2-CD2 4.34Å; I319-W323 HydrophobicContact CG2-CH2 4.17Å; I319-W323 HydrophobicContact CG2-CZ2 3.44Å; I319-W323 VanDerWaalsContact CG2-CZ2 3.44Å; I319-W323 PolarHBondContact O-N 2.99Å; I319-W323 VanDerWaalsContact O-N 3.1Å
320P98.3Very high94Very high0 Ų054.4 Ų54.40%025%0.252CS..Hα-helixtrans-60.8-30.5173.4-23.833.5000113.8Y133 L136 A137 L140 F298 Y317 Q322 W323 A324Y133-P320 WeakPolarHBondContact CB-O 3.43Å; Y133-P320 WeakPolarHBondContact O-CB 3.34Å; L136-P320 HydrophobicContact CB-CB 4.36Å; L136-P320 HydrophobicContact CB-CG 4.36Å; L136-P320 HydrophobicContact CD2-CB 4.13Å; L136-P320 HydrophobicContact CD2-CG 3.72Å; L136-P320 HydrophobicContact CG-CB 4.3Å; L136-P320 HydrophobicContact CG-CG 3.81Å; A137-P320 HydrophobicContact CB-CB 4.27Å; L140-P320 HydrophobicContact CD1-CG 4.04Å; F298-P320 HydrophobicContact CZ-CG 4.2Å; Y317-P320 WeakPolarHBondContact O-CD 3.21Å; P320-Q322 VanDerWaalsContact C-N 3.34Å; P320-W323 HydrophobicContact CB-CE3 4.22Å; P320-W323 HydrophobicContact CG-CE3 4.47Å; P320-W323 HydrophobicContact CG-CZ3 4.44Å; P320-W323 WeakPolarHBondContact O-CB 3.44Å; P320-W323 PolarHBondContact O-N 2.91Å; P320-A324 PolarHBondContact O-N 3.45Å
321I98Very high94.5Very high0 Ų048 Ų480%023%0.225CC..Hα-helixtrans-64.3-41.8175.4-57.7-179.9000110.3A137 Y317 W318 I319 W323 A324 Q325 I350 R354 M357A137-I321 HydrophobicContact CB-CD1 4.01Å; A137-I321 HydrophobicContact CB-CG1 3.55Å; Y317-I321 HydrophobicContact CD2-CD1 4.14Å; Y317-I321 HydrophobicContact CE2-CD1 4.24Å; W318-I321 WeakPolarHBondContact O-CB 3.5Å; W318-I321 PolarHBondContact O-N 3.02Å; I319-I321 PolarHBondContact O-N 3.07Å; I321-W323 VanDerWaalsContact C-N 3.31Å; I321-W323 PolarHBondContact O-N 2.72Å; I321-A324 WeakPolarHBondContact O-CB 3.47Å; I321-A324 PolarHBondContact O-N 2.88Å; I321-Q325 WeakPolarHBondContact O-CG 3.03Å; I321-Q325 PolarHBondContact O-N 2.93Å; I321-I350 HydrophobicContact CG2-CG2 3.54Å; I321-R354 HydrophobicContact CD1-CB 3.94Å; I321-R354 HydrophobicContact CD1-CG 3.93Å; I321-R354 HydrophobicContact CG2-CB 4.25Å; I321-R354 HydrophobicContact CG2-CG 4.47Å; I321-M357 HydrophobicContact CD1-SD 4.04Å
322Q97.7Very high95.2Very high92 Ų9247 Ų4743%0.4322%0.217SC..Hα-helixtrans-63.3-38173.6-70.7-65.9-41.200111.8W318 I319 P320 Q325 R326W318-Q322 HydrophobicContact CE3-CG 3.89Å; W318-Q322 HydrophobicContact CZ3-CG 4.17Å; W318-Q322 PolarHBondContact O-N 3.47Å; I319-Q322 WeakPolarHBondContact O-CB 3.37Å; I319-Q322 PolarHBondContact O-N 2.88Å; I319-Q322 VanDerWaalsContact O-N 3.11Å; P320-Q322 VanDerWaalsContact C-N 3.34Å; Q322-Q325 PolarHBondContact O-N 3.44Å; Q322-R326 WeakPolarHBondContact O-CB 3.39Å; Q322-R326 PolarHBondContact O-N 3.3Å
323W98.5Very high95.8Very high55 Ų5550.4 Ų50.421%0.20823%0.23CC..Hα-helixtrans-63.5-42.2174.1-58.3-15.4000111.9Y133 L136 E294 F298 I319 P320 I321 R326 I327Y133-W323 HydrophobicContact CD1-CE3 4.08Å; Y133-W323 HydrophobicContact CD2-CB 3.57Å; Y133-W323 AromaticContact CE1-CE3 3.85Å; Y133-W323 HydrophobicContact CE1-CE3 3.85Å; Y133-W323 HydrophobicContact CE1-CZ3 4.41Å; Y133-W323 HydrophobicContact CE2-CB 3.46Å; Y133-W323 VanDerWaalsContact CE2-CB 3.46Å; Y133-W323 HydrophobicContact CE2-CE3 4.34Å; Y133-W323 HydrophobicContact CE2-CG 4.44Å; Y133-W323 HydrophobicContact CG-CB 4.35Å; Y133-W323 HydrophobicContact CG-CE3 4.45Å; L136-W323 HydrophobicContact CD2-CZ3 4.34Å; E294-W323 HydrophobicContact CB-CH2 3.78Å; E294-W323 HydrophobicContact CB-CZ3 3.71Å; E294-W323 HydrophobicContact CG-CE3 4.31Å; E294-W323 HydrophobicContact CG-CH2 4.16Å; E294-W323 HydrophobicContact CG-CZ3 3.75Å; F298-W323 AromaticContact CD2-CH2 3.89Å; F298-W323 HydrophobicContact CD2-CH2 3.89Å; F298-W323 AromaticContact CE2-CH2 3.42Å; F298-W323 HydrophobicContact CE2-CH2 3.42Å; F298-W323 VanDerWaalsContact CE2-CH2 3.42Å; F298-W323 HydrophobicContact CE2-CZ2 4.2Å; F298-W323 HydrophobicContact CE2-CZ3 4.05Å; F298-W323 HydrophobicContact CZ-CH2 4.15Å; I319-W323 HydrophobicContact CG2-CD2 4.34Å; I319-W323 HydrophobicContact CG2-CH2 4.17Å; I319-W323 HydrophobicContact CG2-CZ2 3.44Å; I319-W323 VanDerWaalsContact CG2-CZ2 3.44Å; I319-W323 PolarHBondContact O-N 2.99Å; I319-W323 VanDerWaalsContact O-N 3.1Å; P320-W323 HydrophobicContact CB-CE3 4.22Å; P320-W323 HydrophobicContact CG-CE3 4.47Å; P320-W323 HydrophobicContact CG-CZ3 4.44Å; P320-W323 WeakPolarHBondContact O-CB 3.44Å; P320-W323 PolarHBondContact O-N 2.91Å; I321-W323 VanDerWaalsContact C-N 3.31Å; I321-W323 PolarHBondContact O-N 2.72Å; W323-R326 PolarHBondContact O-N 3.41Å; W323-I327 WeakPolarHBondContact O-CG1 3.36Å; W323-I327 PolarHBondContact O-N 3.2Å
324A98.4Very high96.2Very high0 Ų052.1 Ų52.10%025%0.245CC..Hα-helixtrans-58.8-49.7174.500000111.6I130 Y133 M134 P320 I321 R326 I327 T328 I350I130-A324 HydrophobicContact CG2-CB 4.03Å; Y133-A324 HydrophobicContact CD2-CB 4.42Å; M134-A324 HydrophobicContact SD-CB 4.11Å; P320-A324 PolarHBondContact O-N 3.45Å; I321-A324 WeakPolarHBondContact O-CB 3.47Å; I321-A324 PolarHBondContact O-N 2.88Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.09Å; A324-I327 PolarHBondContact O-N 3.04Å; A324-I327 VanDerWaalsContact O-N 3.16Å; A324-T328 PolarHBondContact O-N 2.86Å; A324-T328 PolarHBondContact O-OG1 3.35Å; A324-T328 VanDerWaalsContact O-OG1 3.12Å; A324-I350 HydrophobicContact CB-CD1 4.3Å
325Q98Very high96.5Very high32 Ų3250.1 Ų50.115%0.1524%0.239CC..Hα-helixtrans-58-44.4176.5-69.6178.6-32.900111.9I321 Q322 I327 T328 L329 V347 I350I321-Q325 WeakPolarHBondContact O-CG 3.03Å; I321-Q325 PolarHBondContact O-N 2.93Å; Q322-Q325 PolarHBondContact O-N 3.44Å; Q325-I327 VanDerWaalsContact C-N 3.34Å; Q325-I327 PolarHBondContact O-N 3.49Å; Q325-T328 WeakPolarHBondContact O-CB 3.18Å; Q325-T328 PolarHBondContact O-N 3.28Å; Q325-L329 WeakPolarHBondContact O-CG 3.46Å; Q325-L329 PolarHBondContact O-N 3.25Å; Q325-V347 HydrophobicContact CG-CG1 4.26Å; Q325-I350 HydrophobicContact CG-CB 4.47Å; Q325-I350 HydrophobicContact CG-CG2 3.8Å
326R98.1Very high96.6Very high181 Ų18151.8 Ų51.868%0.68324%0.244SC*.Hα-helixtrans-64.9-36.6177.9-177.3170.4-105.3178.2-4.5112.3Q322 W323 A324 K330Q322-R326 WeakPolarHBondContact O-CB 3.39Å; Q322-R326 PolarHBondContact O-N 3.3Å; W323-R326 PolarHBondContact O-N 3.41Å; A324-R326 VanDerWaalsContact C-N 3.33Å; A324-R326 PolarHBondContact O-N 3.09Å; R326-K330 WeakPolarHBondContact O-CB 3.4Å; R326-K330 WeakPolarHBondContact O-CG 3.43Å; R326-K330 PolarHBondContact O-N 3.5Å
327I97.9Very high96.8Very high38 Ų3851.3 Ų51.320%0.19524%0.242CC..Hα-helixtrans-65.1-44.7173.4-72.6-177.6000110.7I126 T129 I130 Y133 W323 A324 Q325 L329 K330 A331I126-I327 HydrophobicContact CG2-CG2 3.73Å; T129-I327 HydrophobicContact CG2-CD1 3.36Å; I130-I327 HydrophobicContact CD1-CG2 3.98Å; I130-I327 HydrophobicContact CG1-CB 4.2Å; I130-I327 HydrophobicContact CG1-CG2 3.7Å; Y133-I327 HydrophobicContact CD2-CD1 4.04Å; Y133-I327 HydrophobicContact CE2-CD1 3.35Å; Y133-I327 HydrophobicContact CE2-CG1 4.34Å; W323-I327 WeakPolarHBondContact O-CG1 3.36Å; W323-I327 PolarHBondContact O-N 3.2Å; A324-I327 PolarHBondContact O-N 3.04Å; A324-I327 VanDerWaalsContact O-N 3.16Å; Q325-I327 VanDerWaalsContact C-N 3.34Å; Q325-I327 PolarHBondContact O-N 3.49Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 2.98Å; I327-K330 CarbonylContact O-C 3.59Å; I327-K330 PolarHBondContact O-N 3.35Å; I327-A331 WeakPolarHBondContact O-CB 3.41Å; I327-A331 PolarHBondContact O-N 3.48Å
328T97.8Very high96.5Very high0 Ų056.2 Ų56.20%027%0.268CS..Hα-helixtrans-57.3-45.5176.5-560000111.7A324 Q325 K330 A331 L332 I337 T346 V347A324-T328 PolarHBondContact O-N 2.86Å; A324-T328 PolarHBondContact O-OG1 3.35Å; A324-T328 VanDerWaalsContact O-OG1 3.12Å; Q325-T328 WeakPolarHBondContact O-CB 3.18Å; Q325-T328 PolarHBondContact O-N 3.28Å; T328-K330 PolarHBondContact O-N 3.35Å; T328-A331 WeakPolarHBondContact O-CB 3.1Å; T328-A331 PolarHBondContact O-N 3.21Å; T328-L332 PolarHBondContact O-N 3.16Å; T328-L332 VanDerWaalsContact O-N 3.11Å; T328-I337 HydrophobicContact CG2-CD1 3.96Å; T328-T346 HydrophobicContact CG2-CG2 3.78Å; T328-V347 HydrophobicContact CG2-CG2 3.86Å
329L97.8Very high96.3Very high89 Ų8954.9 Ų54.947%0.46627%0.268SS..Hα-helixtrans-66.2-37.3177.5-65.5173.9000112.5Q325 I327 A331 L332 Q333 V347Q325-L329 WeakPolarHBondContact O-CG 3.46Å; Q325-L329 PolarHBondContact O-N 3.25Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 2.98Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-L332 WeakPolarHBondContact O-CB 3.47Å; L329-L332 PolarHBondContact O-N 3.47Å; L329-Q333 WeakPolarHBondContact O-CG 3.27Å; L329-Q333 PolarHBondContact O-N 3.21Å; L329-Q333 VanDerWaalsContact O-N 3.16Å; L329-V347 HydrophobicContact CD2-CG2 4.42Å
330K97.8Very high96.2Very high122 Ų12258 Ų5853%0.5329%0.29SS..Hα-helixtrans-68.2-33.7172.9-77.7-171.1172.1-1620112.7R326 I327 T328 L332 Q333 S334R326-K330 WeakPolarHBondContact O-CB 3.4Å; R326-K330 WeakPolarHBondContact O-CG 3.43Å; R326-K330 PolarHBondContact O-N 3.5Å; I327-K330 CarbonylContact O-C 3.59Å; I327-K330 PolarHBondContact O-N 3.35Å; T328-K330 PolarHBondContact O-N 3.35Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-Q333 PolarHBondContact O-N 3.22Å; K330-S334 VanDerWaalsContact O-CB 3.28Å; K330-S334 WeakPolarHBondContact O-CB 3.46Å; K330-S334 PolarHBondContact O-N 3.02Å; K330-S334 PolarHBondContact O-OG 3.24Å
331A96.9Very high96.1Very high2 Ų264.8 Ų64.82%0.01732%0.319CS..Hα-helixtrans-64.1-41.5176.400000110.8I126 I327 T328 L329 S334 G335 Y336 I337I126-A331 HydrophobicContact CD1-CB 4.22Å; I126-A331 HydrophobicContact CG2-CB 4.12Å; I327-A331 WeakPolarHBondContact O-CB 3.41Å; I327-A331 PolarHBondContact O-N 3.48Å; T328-A331 WeakPolarHBondContact O-CB 3.1Å; T328-A331 PolarHBondContact O-N 3.21Å; L329-A331 VanDerWaalsContact C-N 3.35Å; A331-S334 PolarHBondContact O-N 3.47Å; A331-G335 PolarHBondContact O-N 3.35Å; A331-Y336 PolarHBondContact O-N 2.97Å; A331-I337 HydrophobicContact CB-CD1 4.07Å; A331-I337 HydrophobicContact CB-CG1 4.14Å; A331-I337 PolarHBondContact O-N 3.1Å
332L96.2Very high95.9Very high49 Ų4967 Ų6726%0.25733%0.333SS..Hα-helixtrans-57.8-53.4169.7176.365.8000111.7T328 L329 K330 S334 G335 I337 P340 A343T328-L332 PolarHBondContact O-N 3.16Å; T328-L332 VanDerWaalsContact O-N 3.11Å; L329-L332 WeakPolarHBondContact O-CB 3.47Å; L329-L332 PolarHBondContact O-N 3.47Å; K330-L332 VanDerWaalsContact C-N 3.34Å; L332-S334 PolarHBondContact O-N 3.27Å; L332-G335 PolarHBondContact O-N 3.08Å; L332-G335 VanDerWaalsContact O-N 3.12Å; L332-I337 HydrophobicContact CB-CB 4.45Å; L332-I337 HydrophobicContact CD1-CB 4.36Å; L332-I337 HydrophobicContact CD1-CG2 4.45Å; L332-I337 WeakPolarHBondContact CD1-O 3.36Å; L332-P340 HydrophobicContact CD1-CB 4.43Å; L332-P340 HydrophobicContact CD1-CG 4.24Å; L332-P340 HydrophobicContact CD2-CB 4.34Å; L332-A343 HydrophobicContact CB-CB 4.06Å; L332-A343 HydrophobicContact CD1-CB 4.23Å; L332-A343 HydrophobicContact CD2-CB 3.89Å; L332-A343 HydrophobicContact CG-CB 4.29Å
333Q95.6Very high95.8Very high161 Ų16162.7 Ų62.775%0.75231%0.313SS*.Hα-helixtrans-60.9-31.2-179.6-69.8175.4-17.400113.4L329 K330 G335L329-Q333 WeakPolarHBondContact O-CG 3.27Å; L329-Q333 PolarHBondContact O-N 3.21Å; L329-Q333 VanDerWaalsContact O-N 3.16Å; K330-Q333 PolarHBondContact O-N 3.22Å; Q333-G335 VanDerWaalsContact C-N 3.33Å
334S94.8Very high95.8Very high58 Ų5866.5 Ų66.541%0.40633%0.331SS..THydrogen-bonded Turntrans-85.9-4.8-178.4-56.70000113.7K118 K330 A331 L332K118-S334 WeakPolarHBondContact CD-O 3.32Å; K118-S334 PolarHBondContact NZ-O 3.44Å; K330-S334 VanDerWaalsContact O-CB 3.28Å; K330-S334 WeakPolarHBondContact O-CB 3.46Å; K330-S334 PolarHBondContact O-N 3.02Å; K330-S334 PolarHBondContact O-OG 3.24Å; A331-S334 PolarHBondContact O-N 3.47Å; L332-S334 PolarHBondContact O-N 3.27Å
335G92.8Very high95.7Very high30 Ų3072.5 Ų72.531%0.30936%0.355SS..THydrogen-bonded Turntrans8315.9-178.900000115.3K118 A331 L332 Q333 I337K118-G335 WeakPolarHBondContact CB-O 3.42Å; A331-G335 PolarHBondContact O-N 3.35Å; L332-G335 PolarHBondContact O-N 3.08Å; L332-G335 VanDerWaalsContact O-N 3.12Å; Q333-G335 VanDerWaalsContact C-N 3.33Å; G335-I337 VanDerWaalsContact C-N 3.35Å
336Y94.4Very high95.6Very high45 Ų4571 Ų7118%0.17635%0.348CS..SBendtrans-81.1-17.9174-71.1-79.3000113.1N116 A117 K118 S123 I126 A331N116-Y336 PolarHBondContact N-O 3.05Å; A117-Y336 WeakPolarHBondContact CB-O 3.35Å; A117-Y336 PolarHBondContact N-O 2.89Å; K118-Y336 HydrophobicContact CB-CD1 3.78Å; K118-Y336 HydrophobicContact CB-CE1 3.93Å; K118-Y336 HydrophobicContact CB-CG 4.29Å; K118-Y336 HydrophobicContact CD-CE1 4.2Å; K118-Y336 HydrophobicContact CD-CE2 4.22Å; K118-Y336 HydrophobicContact CG-CE1 4.37Å; S123-Y336 WeakPolarHBondContact OG-CD1 3.34Å; I126-Y336 HydrophobicContact CD1-CD1 3.84Å; I126-Y336 HydrophobicContact CD1-CD2 3.31Å; I126-Y336 HydrophobicContact CD1-CE1 4.19Å; I126-Y336 HydrophobicContact CD1-CE2 3.69Å; I126-Y336 HydrophobicContact CD1-CG 3.41Å; I126-Y336 VanDerWaalsContact CD1-CG 3.41Å; A331-Y336 PolarHBondContact O-N 2.97Å
337I94.3Very high95.6Very high3 Ų364 Ų642%0.01533%0.325CS..SBendtrans-120121.5169.2-53.7176.2000106.3I115 T328 A331 L332 G335 D339 V342 A343I115-I337 HydrophobicContact CG1-CD1 4.19Å; I115-I337 HydrophobicContact CG1-CG1 4.1Å; T328-I337 HydrophobicContact CG2-CD1 3.96Å; A331-I337 HydrophobicContact CB-CD1 4.07Å; A331-I337 HydrophobicContact CB-CG1 4.14Å; A331-I337 PolarHBondContact O-N 3.1Å; L332-I337 HydrophobicContact CB-CB 4.45Å; L332-I337 HydrophobicContact CD1-CB 4.36Å; L332-I337 HydrophobicContact CD1-CG2 4.45Å; L332-I337 WeakPolarHBondContact CD1-O 3.36Å; G335-I337 VanDerWaalsContact C-N 3.35Å; I337-D339 WeakPolarHBondContact CG2-O 3.49Å; I337-V342 HydrophobicContact CG2-CB 3.96Å; I337-V342 HydrophobicContact CG2-CG1 3.91Å; I337-A343 HydrophobicContact CD1-CB 4.01Å; I337-A343 HydrophobicContact CG2-CB 4.11Å
338D89.5Confident95.6Very high106 Ų10665.5 Ų65.557%0.56733%0.331SS*.SBendtrans-78.8-43-176.1-74.4-30.5000113A117 G474A117-D338 HydrophobicContact CB-CB 4.4Å; A117-D338 WeakPolarHBondContact CB-OD1 3.49Å; A117-D338 VanDerWaalsContact CB-OD2 3.25Å; A117-D338 WeakPolarHBondContact CB-OD2 3.49Å; D338-G474 WeakPolarHBondContact OD2-CA 3.25Å
339D91.5Very high95.5Very high72 Ų7266 Ų6639%0.38533%0.334SS..  trans-99.6121.6-177.2-174.6-8.5000111.1I337 K341 V342 A343I337-D339 WeakPolarHBondContact CG2-O 3.49Å; D339-K341 PolarHBondContact O-N 3.33Å; D339-K341 VanDerWaalsContact O-N 3.14Å; D339-K341 WeakPolarHBondContact OD1-CB 3.41Å; D339-K341 PolarHBondContact OD1-N 3.33Å; D339-V342 HydrophobicContact CB-CB 4.33Å; D339-V342 HydrophobicContact CB-CG2 3.91Å; D339-V342 WeakPolarHBondContact O-CB 3.45Å; D339-V342 PolarHBondContact O-N 2.88Å; D339-A343 PolarHBondContact O-N 2.9Å
340P95Very high95.5Very high84 Ų8461.7 Ų61.755%0.54531%0.311SS..Hα-helixtrans-52.6-30.8171.3-26.334.2000114.3L332 A343 F344L332-P340 HydrophobicContact CD1-CB 4.43Å; L332-P340 HydrophobicContact CD1-CG 4.24Å; L332-P340 HydrophobicContact CD2-CB 4.34Å; P340-A343 PolarHBondContact O-N 3.47Å; P340-F344 PolarHBondContact O-N 3.48Å
341K96.1Very high95.5Very high142 Ų14256.8 Ų56.862%0.61730%0.295SS*.Hα-helixtrans-65.3-40.3175.8-65.2179.1-179176.40111.6D339 A343 F344 Y345D339-K341 PolarHBondContact O-N 3.33Å; D339-K341 VanDerWaalsContact O-N 3.14Å; D339-K341 WeakPolarHBondContact OD1-CB 3.41Å; D339-K341 PolarHBondContact OD1-N 3.33Å; K341-A343 VanDerWaalsContact C-N 3.33Å; K341-F344 WeakPolarHBondContact O-CB 3.37Å; K341-F344 PolarHBondContact O-N 3.43Å; K341-Y345 HydrophobicContact CB-CE2 4.47Å; K341-Y345 WeakPolarHBondContact O-CD2 3.2Å; K341-Y345 PolarHBondContact O-N 3.02Å
342V94.8Very high95.5Very high47 Ų4762 Ų6229%0.28531%0.314SS..Hα-helixtrans-61.7-45.4176173.10000109.7I337 D339 F344 Y345 T346I337-V342 HydrophobicContact CG2-CB 3.96Å; I337-V342 HydrophobicContact CG2-CG1 3.91Å; D339-V342 HydrophobicContact CB-CB 4.33Å; D339-V342 HydrophobicContact CB-CG2 3.91Å; D339-V342 WeakPolarHBondContact O-CB 3.45Å; D339-V342 PolarHBondContact O-N 2.88Å; V342-F344 VanDerWaalsContact C-N 3.35Å; V342-F344 PolarHBondContact O-N 2.88Å; V342-Y345 PolarHBondContact O-N 2.95Å; V342-T346 PolarHBondContact O-N 3.2Å; V342-T346 PolarHBondContact O-OG1 3.47Å
343A96.5Very high95.5Very high1 Ų160.4 Ų60.41%0.00831%0.306CS..Hα-helixtrans-59.4-43.2175.500000112.5L332 I337 D339 P340 K341 T346 V347L332-A343 HydrophobicContact CB-CB 4.06Å; L332-A343 HydrophobicContact CD1-CB 4.23Å; L332-A343 HydrophobicContact CD2-CB 3.89Å; L332-A343 HydrophobicContact CG-CB 4.29Å; I337-A343 HydrophobicContact CD1-CB 4.01Å; I337-A343 HydrophobicContact CG2-CB 4.11Å; D339-A343 PolarHBondContact O-N 2.9Å; P340-A343 PolarHBondContact O-N 3.47Å; K341-A343 VanDerWaalsContact C-N 3.33Å; A343-T346 PolarHBondContact O-N 3.29Å; A343-V347 WeakPolarHBondContact O-CG2 3.44Å; A343-V347 PolarHBondContact O-N 2.9Å
344F96.8Very high95.6Very high134 Ų13456.5 Ų56.559%0.58829%0.285SS*.Hα-helixtrans-58.8-48.9174.2174.9-93.6000111.6P340 K341 V342 T346 V347 E348P340-F344 PolarHBondContact O-N 3.48Å; K341-F344 WeakPolarHBondContact O-CB 3.37Å; K341-F344 PolarHBondContact O-N 3.43Å; V342-F344 VanDerWaalsContact C-N 3.35Å; V342-F344 PolarHBondContact O-N 2.88Å; F344-T346 VanDerWaalsContact C-N 3.32Å; F344-T346 PolarHBondContact O-N 3.34Å; F344-V347 PolarHBondContact O-N 3.45Å; F344-E348 WeakPolarHBondContact O-CB 3.45Å; F344-E348 PolarHBondContact O-N 2.87Å
345Y96.9Very high95.7Very high126 Ų12657.5 Ų57.549%0.49428%0.283SS..Hα-helixtrans-61.7-38.2177.2-74.8-57.9000112.3Q110 K341 V342 E348 N349Q110-Y345 PolarHBondContact NE2-O 3.2Å; K341-Y345 HydrophobicContact CB-CE2 4.47Å; K341-Y345 WeakPolarHBondContact O-CD2 3.2Å; K341-Y345 PolarHBondContact O-N 3.02Å; V342-Y345 PolarHBondContact O-N 2.95Å; Y345-E348 PolarHBondContact O-N 2.7Å; Y345-N349 PolarHBondContact O-N 3Å; Y345-N349 PolarHBondContact O-ND2 2.76Å
346T97Very high95.9Very high1 Ų157.8 Ų57.81%0.00628%0.28CS..Hα-helixtrans-62.2-45.5174.9-510000111.1I111 S114 T328 V342 A343 F344 E348 N349 I350I111-T346 HydrophobicContact CG1-CG2 4.04Å; S114-T346 WeakPolarHBondContact CB-OG1 3.49Å; S114-T346 PolarHBondContact OG-OG1 3.21Å; T328-T346 HydrophobicContact CG2-CG2 3.78Å; V342-T346 PolarHBondContact O-N 3.2Å; V342-T346 PolarHBondContact O-OG1 3.47Å; A343-T346 PolarHBondContact O-N 3.29Å; F344-T346 VanDerWaalsContact C-N 3.32Å; F344-T346 PolarHBondContact O-N 3.34Å; T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 2.81Å; T346-N349 PolarHBondContact O-N 2.74Å; T346-I350 HydrophobicContact CG2-CD1 4.34Å; T346-I350 WeakPolarHBondContact O-CG1 3.39Å; T346-I350 PolarHBondContact O-N 3.44Å
347V97.7Very high96Very high33 Ų3355.7 Ų55.720%0.227%0.272CS..Hα-helixtrans-63.6-39.6176.6171.80000111.6Q325 T328 L329 A343 F344 N349 I350 G351Q325-V347 HydrophobicContact CG-CG1 4.26Å; T328-V347 HydrophobicContact CG2-CG2 3.86Å; L329-V347 HydrophobicContact CD2-CG2 4.42Å; A343-V347 WeakPolarHBondContact O-CG2 3.44Å; A343-V347 PolarHBondContact O-N 2.9Å; F344-V347 PolarHBondContact O-N 3.45Å; V347-N349 VanDerWaalsContact C-N 3.35Å; V347-N349 PolarHBondContact O-N 3.23Å; V347-I350 PolarHBondContact O-N 2.91Å; V347-G351 PolarHBondContact O-N 3.44Å
348E97.3Very high96Very high70 Ų7058.1 Ų58.133%0.32728%0.284SS..Hα-helixtrans-60.9-43.9175.7-167-16516100111.2F344 Y345 T346 G351 R352F344-E348 WeakPolarHBondContact O-CB 3.45Å; F344-E348 PolarHBondContact O-N 2.87Å; Y345-E348 PolarHBondContact O-N 2.7Å; T346-E348 VanDerWaalsContact C-N 3.34Å; T346-E348 PolarHBondContact O-N 2.81Å; E348-G351 CarbonylContact O-C 3.41Å; E348-G351 VanDerWaalsContact O-CA 3.25Å; E348-G351 WeakPolarHBondContact O-CA 3.39Å; E348-G351 PolarHBondContact O-N 3.06Å; E348-R352 VanDerWaalsContact CD-NH2 3.28Å; E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 2.85Å; E348-R352 IonicContact OE1-CZ 3.28Å; E348-R352 IonicContact OE1-NE 2.82Å; E348-R352 PolarHBondContact OE1-NE 2.8Å; E348-R352 IonicContact OE1-NH2 3.99Å; E348-R352 PolarHBondContact OE1-NH2 3.21Å; E348-R352 IonicContact OE2-NH2 3.54Å
349N96.3Very high96.2Very high10 Ų1055 Ų555%0.05327%0.266CS..Hα-helixtrans-70.4-35.8179.7-78.2-78.5000113Q110 Y345 T346 V347 G351 R352 V353Q110-N349 VanDerWaalsContact CD-ND2 3.32Å; Q110-N349 PolarHBondContact NE2-ND2 3.09Å; Q110-N349 VanDerWaalsContact OE1-CB 3.27Å; Q110-N349 PolarHBondContact OE1-ND2 3.18Å; Q110-N349 PolarHBondContact OE1-OD1 3.36Å; Y345-N349 PolarHBondContact O-N 3Å; Y345-N349 PolarHBondContact O-ND2 2.76Å; T346-N349 PolarHBondContact O-N 2.74Å; V347-N349 VanDerWaalsContact C-N 3.35Å; V347-N349 PolarHBondContact O-N 3.23Å; N349-G351 PolarHBondContact O-N 2.9Å; N349-R352 PolarHBondContact O-N 3.29Å; N349-R352 PolarHBondContact OD1-NH1 3Å; N349-V353 PolarHBondContact O-N 3.36Å; N349-V353 VanDerWaalsContact O-N 3.16Å
350I98.1Very high96.3Very high0 Ų051.5 Ų51.50%025%0.248CC..Hα-helixtrans-56.6-43.2165.3-68.1164.6000109.9I107 I130 M134 I321 A324 Q325 T346 V347 R352 V353 R354I107-I350 HydrophobicContact CD1-CB 4.37Å; I107-I350 HydrophobicContact CD1-CG1 3.81Å; I130-I350 HydrophobicContact CG2-CD1 4.4Å; M134-I350 HydrophobicContact CE-CG2 4.22Å; M134-I350 HydrophobicContact SD-CG1 4.38Å; M134-I350 HydrophobicContact SD-CG2 3.93Å; I321-I350 HydrophobicContact CG2-CG2 3.54Å; A324-I350 HydrophobicContact CB-CD1 4.3Å; Q325-I350 HydrophobicContact CG-CB 4.47Å; Q325-I350 HydrophobicContact CG-CG2 3.8Å; T346-I350 HydrophobicContact CG2-CD1 4.34Å; T346-I350 WeakPolarHBondContact O-CG1 3.39Å; T346-I350 PolarHBondContact O-N 3.44Å; V347-I350 PolarHBondContact O-N 2.91Å; I350-R352 PolarHBondContact O-N 3.23Å; I350-V353 PolarHBondContact O-N 2.87Å; I350-R354 PolarHBondContact O-N 3.46Å
351G97.3Very high96.2Very high18 Ų1848.1 Ų48.119%0.18623%0.225CC..Hα-helixtrans-62.1-37175.300000114.2V347 E348 N349 R354 Q355V347-G351 PolarHBondContact O-N 3.44Å; E348-G351 CarbonylContact O-C 3.41Å; E348-G351 VanDerWaalsContact O-CA 3.25Å; E348-G351 WeakPolarHBondContact O-CA 3.39Å; E348-G351 PolarHBondContact O-N 3.06Å; N349-G351 PolarHBondContact O-N 2.9Å; G351-R354 WeakPolarHBondContact O-CB 3.34Å; G351-R354 PolarHBondContact O-N 3.26Å; G351-Q355 PolarHBondContact O-N 2.61Å
352R97Very high95.9Very high113 Ų11344 Ų4443%0.42621%0.211SC..Hα-helixtrans-63.6-44.8175.1-68.5175.5-168.5165.4-4.5111.2E348 N349 I350 R354 Q355 S356E348-R352 VanDerWaalsContact CD-NH2 3.28Å; E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 2.85Å; E348-R352 IonicContact OE1-CZ 3.28Å; E348-R352 IonicContact OE1-NE 2.82Å; E348-R352 PolarHBondContact OE1-NE 2.8Å; E348-R352 IonicContact OE1-NH2 3.99Å; E348-R352 PolarHBondContact OE1-NH2 3.21Å; E348-R352 IonicContact OE2-NH2 3.54Å; N349-R352 PolarHBondContact O-N 3.29Å; N349-R352 PolarHBondContact OD1-NH1 3Å; I350-R352 PolarHBondContact O-N 3.23Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R352-R354 PolarHBondContact O-N 3.32Å; R352-Q355 WeakPolarHBondContact O-CB 3.44Å; R352-Q355 PolarHBondContact O-N 2.94Å; R352-Q355 VanDerWaalsContact O-N 3.14Å; R352-S356 PolarHBondContact O-N 3.33Å; R352-S356 PolarHBondContact O-OG 2.96Å
353V97Very high95.6Very high14 Ų1444.9 Ų44.99%0.08521%0.21CC..Hα-helixtrans-61-43.9174.8174.40000111.1P102 M104 I107 M134 N349 I350 Q355 S356 M357P102-V353 HydrophobicContact CB-CG1 3.94Å; M104-V353 HydrophobicContact CE-CG1 4.3Å; I107-V353 HydrophobicContact CB-CG2 4.28Å; I107-V353 HydrophobicContact CD1-CB 4.48Å; I107-V353 HydrophobicContact CD1-CG2 3.8Å; I107-V353 HydrophobicContact CG2-CG2 4.22Å; M134-V353 HydrophobicContact CE-CB 3.67Å; M134-V353 HydrophobicContact CE-CG1 3.45Å; M134-V353 VanDerWaalsContact CE-CG1 3.45Å; M134-V353 HydrophobicContact CE-CG2 4.25Å; N349-V353 PolarHBondContact O-N 3.36Å; N349-V353 VanDerWaalsContact O-N 3.16Å; I350-V353 PolarHBondContact O-N 2.87Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 3.11Å; V353-S356 PolarHBondContact O-N 3Å; V353-M357 HydrophobicContact CG1-CE 3.66Å; V353-M357 HydrophobicContact CG1-SD 4.37Å; V353-M357 WeakPolarHBondContact O-CG 3.44Å; V353-M357 PolarHBondContact O-N 3.3Å
354R97.5Very high95.2Very high79 Ų7945.6 Ų45.630%0.29822%0.215SC..Hα-helixtrans-57.8-41.4173.8-173.1-157.96673.47.4111.8I321 I350 G351 R352 M357 Q358I321-R354 HydrophobicContact CD1-CB 3.94Å; I321-R354 HydrophobicContact CD1-CG 3.93Å; I321-R354 HydrophobicContact CG2-CB 4.25Å; I321-R354 HydrophobicContact CG2-CG 4.47Å; I350-R354 PolarHBondContact O-N 3.46Å; G351-R354 WeakPolarHBondContact O-CB 3.34Å; G351-R354 PolarHBondContact O-N 3.26Å; R352-R354 VanDerWaalsContact C-N 3.34Å; R352-R354 PolarHBondContact O-N 3.32Å; R354-M357 PolarHBondContact O-N 2.84Å; R354-Q358 WeakPolarHBondContact O-CB 3.38Å; R354-Q358 PolarHBondContact O-N 2.73Å
355Q96.8Very high94.7Very high80 Ų8042.3 Ų42.337%0.37421%0.209SC..Hα-helixtrans-65.7-43.9179.2-171.761.439.900111.7G351 R352 V353 M357 Q358 N359G351-Q355 PolarHBondContact O-N 2.61Å; R352-Q355 WeakPolarHBondContact O-CB 3.44Å; R352-Q355 PolarHBondContact O-N 2.94Å; R352-Q355 VanDerWaalsContact O-N 3.14Å; V353-Q355 VanDerWaalsContact C-N 3.29Å; V353-Q355 PolarHBondContact O-N 3.11Å; Q355-M357 PolarHBondContact O-N 2.9Å; Q355-Q358 PolarHBondContact O-N 3.38Å; Q355-N359 PolarHBondContact NE2-OD1 3.14Å; Q355-N359 WeakPolarHBondContact O-CB 3.44Å; Q355-N359 PolarHBondContact O-N 3.42Å; Q355-N359 PolarHBondContact O-OD1 3.25Å
356S96.3Very high94.2Very high36 Ų3641.4 Ų41.425%0.25221%0.212SC..Hα-helixtrans-61.1-43.9175-60.60000111.7Y100 R352 V353 N359 L360Y100-S356 WeakPolarHBondContact O-CB 2.89Å; R352-S356 PolarHBondContact O-N 3.33Å; R352-S356 PolarHBondContact O-OG 2.96Å; V353-S356 PolarHBondContact O-N 3Å; S356-N359 PolarHBondContact O-N 3.11Å; S356-L360 WeakPolarHBondContact O-CB 3.28Å; S356-L360 PolarHBondContact O-N 3.47Å
357M95.8Very high93.6Very high0 Ų046.1 Ų46.10%023%0.234CC..Hα-helixtrans-58.2-47.5173-76-175.3-173.600112.4P102 M104 A137 W138 M141 Y317 I321 V353 R354 Q355 L360 Q361P102-M357 HydrophobicContact CG-CE 3.97Å; P102-M357 HydrophobicContact CG-CG 3.89Å; M104-M357 HydrophobicContact CE-CE 3.88Å; A137-M357 HydrophobicContact CB-CE 4.48Å; A137-M357 HydrophobicContact CB-SD 4.42Å; W138-M357 HydrophobicContact CB-CE 3.67Å; W138-M357 HydrophobicContact CE3-CE 4Å; W138-M357 HydrophobicContact CE3-CG 4.44Å; W138-M357 HydrophobicContact CG-CE 4.46Å; M141-M357 HydrophobicContact CE-CB 4.08Å; M141-M357 HydrophobicContact CE-CG 3.88Å; M141-M357 VanDerWaalsContact SD-CA 3.58Å; M141-M357 HydrophobicContact SD-CB 3.4Å; M141-M357 WeakPolarHBondContact SD-CB 3.33Å; M141-M357 HydrophobicContact SD-CG 3.76Å; M141-M357 HydrophobicContact SD-SD 4.47Å; Y317-M357 HydrophobicContact CD2-CB 4.39Å; Y317-M357 HydrophobicContact CD2-SD 3.94Å; Y317-M357 HydrophobicContact CE2-CB 3.79Å; Y317-M357 HydrophobicContact CE2-SD 4.18Å; I321-M357 HydrophobicContact CD1-SD 4.04Å; V353-M357 HydrophobicContact CG1-CE 3.66Å; V353-M357 HydrophobicContact CG1-SD 4.37Å; V353-M357 WeakPolarHBondContact O-CG 3.44Å; V353-M357 PolarHBondContact O-N 3.3Å; R354-M357 PolarHBondContact O-N 2.84Å; Q355-M357 PolarHBondContact O-N 2.9Å; M357-L360 PolarHBondContact O-N 3.06Å; M357-Q361 PolarHBondContact O-N 3.35Å
358Q95.4Very high93.1Very high55 Ų5546.2 Ų46.226%0.25723%0.233SC..Hα-helixtrans-60.9-47176.9177.865.232.100111.5Y317 R354 Q355 L360 Q361 V362Y317-Q358 PolarHBondContact OH-OE1 2.96Å; R354-Q358 WeakPolarHBondContact O-CB 3.38Å; R354-Q358 PolarHBondContact O-N 2.73Å; Q355-Q358 PolarHBondContact O-N 3.38Å; Q358-L360 VanDerWaalsContact C-N 3.3Å; Q358-L360 PolarHBondContact O-N 3.35Å; Q358-Q361 PolarHBondContact O-N 3.46Å; Q358-V362 HydrophobicContact CG-CG2 4.44Å; Q358-V362 WeakPolarHBondContact O-CG2 3.41Å; Q358-V362 PolarHBondContact O-N 2.9Å
359N94.6Very high92.8Very high39 Ų3947 Ų4721%0.20924%0.244CC..Hα-helixtrans-58.4-46.9177.8-69.9-11.1000109.8Y100 Q355 S356 Q361 V362 Y363Y100-N359 HydrophobicContact CD1-CB 3.76Å; Y100-N359 HydrophobicContact CD2-CB 3.96Å; Y100-N359 HydrophobicContact CE1-CB 3.97Å; Y100-N359 WeakPolarHBondContact CE1-ND2 3.45Å; Y100-N359 HydrophobicContact CE2-CB 4.16Å; Y100-N359 HydrophobicContact CG-CB 3.77Å; Q355-N359 PolarHBondContact NE2-OD1 3.14Å; Q355-N359 WeakPolarHBondContact O-CB 3.44Å; Q355-N359 PolarHBondContact O-N 3.42Å; Q355-N359 PolarHBondContact O-OD1 3.25Å; S356-N359 PolarHBondContact O-N 3.11Å; N359-Q361 VanDerWaalsContact C-N 3.31Å; N359-Q361 PolarHBondContact O-N 2.98Å; N359-V362 PolarHBondContact O-N 3.2Å; N359-V362 VanDerWaalsContact O-N 3.15Å; N359-Y363 VanDerWaalsContact O-CD2 3.31Å; N359-Y363 WeakPolarHBondContact O-CD2 3.42Å; N359-Y363 PolarHBondContact O-N 3.12Å
360L93.6Very high92.5Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-58.4-42.9177.5-165.862.5000112.3M97 I101 W138 M141 M142 S356 M357 Q358 Y363 S364 F434M97-L360 HydrophobicContact CB-CD1 4.19Å; M97-L360 WeakPolarHBondContact O-CD1 3.46Å; I101-L360 HydrophobicContact CG1-CD2 4.24Å; W138-L360 HydrophobicContact CH2-CD2 4.12Å; W138-L360 HydrophobicContact CZ3-CD2 4.03Å; M141-L360 HydrophobicContact CE-CB 4.48Å; M141-L360 HydrophobicContact CE-CD2 3.82Å; M142-L360 HydrophobicContact SD-CD2 4.14Å; S356-L360 WeakPolarHBondContact O-CB 3.28Å; S356-L360 PolarHBondContact O-N 3.47Å; M357-L360 PolarHBondContact O-N 3.06Å; Q358-L360 VanDerWaalsContact C-N 3.3Å; Q358-L360 PolarHBondContact O-N 3.35Å; L360-Y363 PolarHBondContact O-N 3.15Å; L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.13Å; L360-F434 HydrophobicContact CD1-CE2 3.98Å; L360-F434 HydrophobicContact CD1-CZ 3.48Å; L360-F434 VanDerWaalsContact CD1-CZ 3.48Å; L360-F434 HydrophobicContact CD2-CE1 4.36Å; L360-F434 HydrophobicContact CD2-CZ 4Å; L360-F434 HydrophobicContact CG-CE2 4.49Å; L360-F434 HydrophobicContact CG-CZ 3.97Å
361Q91.1Very high92.4Very high13 Ų1356.4 Ų56.46%0.06130%0.297CS..Hα-helixtrans-64.9-41.2175.7-174.8179.3-6.700112.6I145 M357 Q358 N359 S364 S365I145-Q361 HydrophobicContact CD1-CB 4.22Å; M357-Q361 PolarHBondContact O-N 3.35Å; Q358-Q361 PolarHBondContact O-N 3.46Å; N359-Q361 VanDerWaalsContact C-N 3.31Å; N359-Q361 PolarHBondContact O-N 2.98Å; Q361-S364 PolarHBondContact O-N 3.16Å; Q361-S365 VanDerWaalsContact O-CB 3.31Å; Q361-S365 WeakPolarHBondContact O-CB 3.4Å; Q361-S365 PolarHBondContact O-N 3.07Å; Q361-S365 PolarHBondContact O-OG 2.86Å
362V90Very high92.1Very high54 Ų5459.6 Ų59.633%0.32730%0.304SS..Hα-helixtrans-63.8-47.6176.8171.50000110.4Q358 N359 S364 S365 I366Q358-V362 HydrophobicContact CG-CG2 4.44Å; Q358-V362 WeakPolarHBondContact O-CG2 3.41Å; Q358-V362 PolarHBondContact O-N 2.9Å; N359-V362 PolarHBondContact O-N 3.2Å; N359-V362 VanDerWaalsContact O-N 3.15Å; V362-S364 VanDerWaalsContact C-N 3.33Å; V362-S364 PolarHBondContact O-N 3.39Å; V362-S365 WeakPolarHBondContact CA-OG 3.42Å; V362-S365 PolarHBondContact O-N 3.44Å; V362-S365 PolarHBondContact O-OG 3.01Å; V362-S365 VanDerWaalsContact O-OG 3.05Å; V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 PolarHBondContact O-N 2.56Å
363Y89.8Confident91.9Very high66 Ų6654.9 Ų54.926%0.25929%0.288SS..Hα-helixtrans-58.1-47.5174.3-89.4-94.4000110.5R93 Q96 M97 Y100 N359 L360 S365R93-Y363 HydrophobicContact CG-CD1 3.99Å; R93-Y363 HydrophobicContact CG-CE1 4.19Å; R93-Y363 PolarHBondContact NH1-O 3.34Å; R93-Y363 PolarHBondContact NH2-O 2.94Å; Q96-Y363 HydrophobicContact CB-CE1 3.9Å; Q96-Y363 HydrophobicContact CG-CE1 4.5Å; M97-Y363 HydrophobicContact CE-CD1 4.39Å; M97-Y363 HydrophobicContact CG-CD1 4.29Å; M97-Y363 HydrophobicContact CG-CG 4.42Å; Y100-Y363 HydrophobicContact CD2-CD2 4.01Å; Y100-Y363 AromaticContact CD2-CE2 4Å; Y100-Y363 HydrophobicContact CD2-CE2 4Å; Y100-Y363 AromaticContact CE2-CD2 3.87Å; Y100-Y363 HydrophobicContact CE2-CD2 3.87Å; Y100-Y363 AromaticContact CE2-CE2 3.37Å; Y100-Y363 HydrophobicContact CE2-CE2 3.37Å; Y100-Y363 AromaticContact CE2-CZ 3.95Å; N359-Y363 VanDerWaalsContact O-CD2 3.31Å; N359-Y363 WeakPolarHBondContact O-CD2 3.42Å; N359-Y363 PolarHBondContact O-N 3.12Å; L360-Y363 PolarHBondContact O-N 3.15Å; Y363-S365 VanDerWaalsContact C-N 3.29Å; Y363-S365 PolarHBondContact O-N 2.83Å
364S87.1Confident91.9Very high17 Ų1758.6 Ų58.612%0.11931%0.305CS..Hα-helixtrans-68.1-23.7-179.9-177.50000114.5I145 L360 Q361 V362 M367I145-S364 WeakPolarHBondContact CG2-OG 3.42Å; L360-S364 WeakPolarHBondContact O-CB 3.25Å; L360-S364 PolarHBondContact O-N 3.13Å; Q361-S364 PolarHBondContact O-N 3.16Å; V362-S364 VanDerWaalsContact C-N 3.33Å; V362-S364 PolarHBondContact O-N 3.39Å; S364-M367 WeakPolarHBondContact O-CE 3.41Å
365S85.9Confident91.8Very high65 Ų6558.4 Ų58.446%0.45531%0.312SS..Hα-helixtrans-90.3-35.1-177.251.20000112.8Q361 V362 Y363 M367Q361-S365 VanDerWaalsContact O-CB 3.31Å; Q361-S365 WeakPolarHBondContact O-CB 3.4Å; Q361-S365 PolarHBondContact O-N 3.07Å; Q361-S365 PolarHBondContact O-OG 2.86Å; V362-S365 WeakPolarHBondContact CA-OG 3.42Å; V362-S365 PolarHBondContact O-N 3.44Å; V362-S365 PolarHBondContact O-OG 3.01Å; V362-S365 VanDerWaalsContact O-OG 3.05Å; Y363-S365 VanDerWaalsContact C-N 3.29Å; Y363-S365 PolarHBondContact O-N 2.83Å; S365-M367 PolarHBondContact O-N 2.98Å
366I86.1Confident91.8Very high107 Ų10754.6 Ų54.655%0.54929%0.294SS..SBendtrans-89.5106.8178.7-58.3176000108.8R93 V362R93-I366 VanDerWaalsContact CZ-O 3.26Å; R93-I366 PolarHBondContact NH1-O 3.47Å; R93-I366 VanDerWaalsContact NH1-O 3.15Å; R93-I366 PolarHBondContact NH2-O 2.87Å; V362-I366 HydrophobicContact CG1-CD1 3.81Å; V362-I366 PolarHBondContact O-N 2.56Å
367M85.7Confident91.7Very high99 Ų9955.4 Ų55.449%0.48830%0.295SS..PPolyproline II helixtrans-79.1158.3176.4-62.4-60.1159.100111.9S364 S365S364-M367 WeakPolarHBondContact O-CE 3.41Å; S365-M367 PolarHBondContact O-N 2.98Å
368I87.1Confident91.7Very high35 Ų3560.4 Ų60.418%0.17932%0.321CS..PPolyproline II helixtrans-66.3135.1169.1-67.4173.9000108.1I90 L370 Y372I90-I368 HydrophobicContact CD1-CD1 3.05Å; I368-L370 PolarHBondContact O-N 2.95Å; I368-Y372 HydrophobicContact CG2-CD1 3.82Å
369P90.5Very high91.8Very high86 Ų8658.4 Ų58.456%0.55831%0.314SS*.PPolyproline II helixtrans-51127.1179.7-29.235.7000111.7V371 Y372P369-V371 HydrophobicContact CB-CG1 4.04Å; P369-V371 PolarHBondContact O-N 2.88Å; P369-V371 VanDerWaalsContact O-N 3.14Å; P369-Y372 WeakPolarHBondContact O-CB 3.44Å; P369-Y372 PolarHBondContact O-N 3.29Å
370L90.3Very high91.8Very high118 Ų11856.6 Ų56.662%0.61831%0.305SS*.Hα-helixtrans-55.2-37-175.8178.161.2000112.1I368 Y372 T373 Q374I368-L370 PolarHBondContact O-N 2.95Å; L370-Y372 PolarHBondContact O-N 2.73Å; L370-T373 PolarHBondContact O-N 3.19Å; L370-Q374 HydrophobicContact CD1-CG 4.09Å; L370-Q374 HydrophobicContact CG-CG 4Å; L370-Q374 WeakPolarHBondContact O-CB 3.39Å; L370-Q374 WeakPolarHBondContact O-CG 3.49Å; L370-Q374 PolarHBondContact O-N 2.82Å
371V94.7Very high91.9Very high90 Ų9060.8 Ų60.855%0.54532%0.321SS..Hα-helixtrans-55-37.1176.9650000112.5P369 Q374 V375P369-V371 HydrophobicContact CB-CG1 4.04Å; P369-V371 PolarHBondContact O-N 2.88Å; P369-V371 VanDerWaalsContact O-N 3.14Å; V371-Q374 PolarHBondContact O-N 3.39Å; V371-V375 HydrophobicContact CG2-CG2 4.39Å; V371-V375 VanDerWaalsContact O-CG2 3.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.42Å; V371-V375 PolarHBondContact O-N 2.98Å
372Y92.3Very high92.1Very high85 Ų8562.7 Ų62.733%0.33334%0.335SS..Hα-helixtrans-67.7-46.1-179.8-172.9-127.7000111.1F86 I368 P369 L370 V376F86-Y372 VanDerWaalsContact CA-OH 3.26Å; F86-Y372 WeakPolarHBondContact CA-OH 3.16Å; F86-Y372 HydrophobicContact CB-CE1 4.4Å; F86-Y372 AromaticContact CD2-CD1 3.65Å; F86-Y372 HydrophobicContact CD2-CD1 3.65Å; F86-Y372 AromaticContact CD2-CE1 3.39Å; F86-Y372 HydrophobicContact CD2-CE1 3.39Å; F86-Y372 HydrophobicContact CD2-CG 4.43Å; F86-Y372 AromaticContact CD2-CZ 3.95Å; F86-Y372 AromaticContact CE2-CD1 3.95Å; F86-Y372 HydrophobicContact CE2-CD1 3.95Å; F86-Y372 HydrophobicContact CE2-CE1 4.11Å; F86-Y372 HydrophobicContact CG-CE1 4.34Å; F86-Y372 PolarHBondContact N-OH 3.06Å; I368-Y372 HydrophobicContact CG2-CD1 3.82Å; P369-Y372 WeakPolarHBondContact O-CB 3.44Å; P369-Y372 PolarHBondContact O-N 3.29Å; L370-Y372 PolarHBondContact O-N 2.73Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 3.26Å
373T93.5Very high92.4Very high15 Ų1561.1 Ų61.19%0.09232%0.324CS..Hα-helixtrans-62.2-42.7174.1-540000111.3F86 L370 V376 I377 L428 M431F86-T373 HydrophobicContact CZ-CG2 4.31Å; L370-T373 PolarHBondContact O-N 3.19Å; T373-V376 PolarHBondContact O-N 3.33Å; T373-I377 HydrophobicContact CG2-CD1 3.7Å; T373-I377 HydrophobicContact CG2-CG1 4.38Å; T373-I377 WeakPolarHBondContact O-CB 3.05Å; T373-I377 VanDerWaalsContact O-CG1 3.25Å; T373-I377 WeakPolarHBondContact O-CG1 3.31Å; T373-I377 PolarHBondContact O-N 3.4Å; T373-L428 HydrophobicContact CG2-CD2 4.02Å; T373-M431 HydrophobicContact CG2-CE 4.28Å
374Q95.8Very high92.6Very high91 Ų9158.5 Ų58.543%0.42531%0.314SS..Hα-helixtrans-62.8-46.3179.4-76.7176.1-25.500112.6L370 V371 V376 I377 I378L370-Q374 HydrophobicContact CD1-CG 4.09Å; L370-Q374 HydrophobicContact CG-CG 4Å; L370-Q374 WeakPolarHBondContact O-CB 3.39Å; L370-Q374 WeakPolarHBondContact O-CG 3.49Å; L370-Q374 PolarHBondContact O-N 2.82Å; V371-Q374 PolarHBondContact O-N 3.39Å; Q374-V376 VanDerWaalsContact C-N 3.3Å; Q374-V376 PolarHBondContact O-N 2.88Å; Q374-I377 PolarHBondContact O-N 3.34Å; Q374-I378 WeakPolarHBondContact O-CB 3.23Å; Q374-I378 VanDerWaalsContact O-CG1 3.23Å; Q374-I378 WeakPolarHBondContact O-CG1 3.47Å; Q374-I378 PolarHBondContact O-N 2.99Å
375V95.7Very high93Very high75 Ų7563.3 Ų63.346%0.45534%0.336SS..Hα-helixtrans-58.5-44179.8167.40000111L82 V371 A379L82-V375 HydrophobicContact CD1-CG1 4.36Å; L82-V375 HydrophobicContact CD2-CG1 4.28Å; V371-V375 HydrophobicContact CG2-CG2 4.39Å; V371-V375 VanDerWaalsContact O-CG2 3.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.42Å; V371-V375 PolarHBondContact O-N 2.98Å; V375-A379 VanDerWaalsContact O-CB 3.3Å; V375-A379 WeakPolarHBondContact O-CB 3.1Å; V375-A379 PolarHBondContact O-N 3.41Å
376V96Very high93.4Very high0 Ų061.1 Ų61.10%032%0.32CS..Hα-helixtrans-69.7-43-179.6-179.90000111.1L82 L83 F86 Y372 T373 Q374 A379 V380 L424L82-V376 HydrophobicContact CD1-CG2 4.33Å; L82-V376 HydrophobicContact CD2-CG2 4.34Å; L82-V376 HydrophobicContact CG-CG2 4.04Å; L83-V376 HydrophobicContact CD1-CG1 3.66Å; F86-V376 HydrophobicContact CB-CB 4.44Å; F86-V376 HydrophobicContact CB-CG1 4.06Å; F86-V376 HydrophobicContact CB-CG2 3.69Å; F86-V376 HydrophobicContact CD1-CB 4.45Å; F86-V376 HydrophobicContact CD1-CG1 3.89Å; F86-V376 HydrophobicContact CD1-CG2 4.48Å; F86-V376 HydrophobicContact CD2-CB 4.28Å; F86-V376 HydrophobicContact CD2-CG2 3.7Å; F86-V376 HydrophobicContact CE1-CG1 4.48Å; F86-V376 HydrophobicContact CE2-CG2 4.47Å; F86-V376 HydrophobicContact CG-CB 4.15Å; F86-V376 HydrophobicContact CG-CG1 3.91Å; F86-V376 HydrophobicContact CG-CG2 3.71Å; Y372-V376 WeakPolarHBondContact O-CG2 3.48Å; Y372-V376 PolarHBondContact O-N 3.26Å; T373-V376 PolarHBondContact O-N 3.33Å; Q374-V376 VanDerWaalsContact C-N 3.3Å; Q374-V376 PolarHBondContact O-N 2.88Å; V376-A379 PolarHBondContact O-N 3Å; V376-V380 WeakPolarHBondContact O-CG2 3.29Å; V376-V380 PolarHBondContact O-N 3.43Å; V376-L424 HydrophobicContact CG1-CD1 4.07Å
377I95.8Very high93.8Very high54 Ų5456.6 Ų56.628%0.27730%0.297SS..Hα-helixtrans-59.9-52.3175.3-72.4174.5000109.8T373 Q374 A379 V380 Y381 L424 L428T373-I377 HydrophobicContact CG2-CD1 3.7Å; T373-I377 HydrophobicContact CG2-CG1 4.38Å; T373-I377 WeakPolarHBondContact O-CB 3.05Å; T373-I377 VanDerWaalsContact O-CG1 3.25Å; T373-I377 WeakPolarHBondContact O-CG1 3.31Å; T373-I377 PolarHBondContact O-N 3.4Å; Q374-I377 PolarHBondContact O-N 3.34Å; I377-A379 VanDerWaalsContact C-N 3.29Å; I377-A379 PolarHBondContact O-N 3.06Å; I377-V380 PolarHBondContact O-N 3Å; I377-Y381 HydrophobicContact CG2-CD2 3.64Å; I377-Y381 HydrophobicContact CG2-CE2 3.85Å; I377-Y381 WeakPolarHBondContact O-CB 3.08Å; I377-Y381 VanDerWaalsContact O-CD2 3.27Å; I377-Y381 WeakPolarHBondContact O-CD2 3.06Å; I377-Y381 PolarHBondContact O-N 3.49Å; I377-L424 HydrophobicContact CG1-CD1 4.38Å; I377-L424 HydrophobicContact CG1-CD2 4.43Å; I377-L428 HydrophobicContact CD1-CD2 4.45Å
378I95.7Very high94.1Very high104 Ų10452.5 Ų52.553%0.53328%0.277SS..Hα-helixtrans-57-46.3179.3-68.4165.9000110Q374 V380 Y381 S382Q374-I378 WeakPolarHBondContact O-CB 3.23Å; Q374-I378 VanDerWaalsContact O-CG1 3.23Å; Q374-I378 WeakPolarHBondContact O-CG1 3.47Å; Q374-I378 PolarHBondContact O-N 2.99Å; I378-V380 PolarHBondContact O-N 2.84Å; I378-Y381 PolarHBondContact O-N 3.08Å; I378-S382 WeakPolarHBondContact O-CB 3.41Å; I378-S382 PolarHBondContact O-N 2.89Å; I378-S382 PolarHBondContact O-OG 2.85Å
379A95.7Very high94.4Very high14 Ų1453.6 Ų53.612%0.11628%0.28CS..Hα-helixtrans-59.5-46178.800000113.1I77 L82 V375 V376 I377 Y383I77-A379 HydrophobicContact CG2-CB 4.42Å; L82-A379 HydrophobicContact CD2-CB 3.38Å; V375-A379 VanDerWaalsContact O-CB 3.3Å; V375-A379 WeakPolarHBondContact O-CB 3.1Å; V375-A379 PolarHBondContact O-N 3.41Å; V376-A379 PolarHBondContact O-N 3Å; I377-A379 VanDerWaalsContact C-N 3.29Å; I377-A379 PolarHBondContact O-N 3.06Å; A379-Y383 WeakPolarHBondContact O-CB 3.34Å; A379-Y383 PolarHBondContact O-N 3.22Å
380V96.2Very high94.5Very high1 Ų150.1 Ų50.11%0.00626%0.259CS..Hα-helixtrans-67.1-43.3179.1173.10000111.3I79 L83 V376 I377 I378 Y383 F384 M421 L424I79-V380 HydrophobicContact CG2-CG2 3.94Å; L83-V380 HydrophobicContact CD1-CG2 4.15Å; L83-V380 HydrophobicContact CD2-CG2 4.42Å; V376-V380 WeakPolarHBondContact O-CG2 3.29Å; V376-V380 PolarHBondContact O-N 3.43Å; I377-V380 PolarHBondContact O-N 3Å; I378-V380 PolarHBondContact O-N 2.84Å; V380-Y383 WeakPolarHBondContact O-CB 3.48Å; V380-Y383 PolarHBondContact O-N 2.68Å; V380-F384 HydrophobicContact CG1-CD2 3.82Å; V380-F384 HydrophobicContact CG1-CE2 3.49Å; V380-F384 VanDerWaalsContact CG1-CE2 3.49Å; V380-F384 WeakPolarHBondContact O-CD2 3.37Å; V380-F384 PolarHBondContact O-N 3.32Å; V380-F384 VanDerWaalsContact O-N 3.08Å; V380-M421 HydrophobicContact CG1-SD 4.23Å; V380-L424 HydrophobicContact CB-CD2 3.94Å; V380-L424 HydrophobicContact CG1-CD2 3.81Å; V380-L424 HydrophobicContact CG2-CD2 4.16Å
381Y95.4Very high94.4Very high88 Ų8846 Ų4635%0.34524%0.239SC..Hα-helixtrans-71.4-40.2179.6-82.7-93.8000112.2D36 I377 I378 Y383 F384 M385 M421 L424D36-Y381 PolarHBondContact OD1-OH 3.45Å; I377-Y381 HydrophobicContact CG2-CD2 3.64Å; I377-Y381 HydrophobicContact CG2-CE2 3.85Å; I377-Y381 WeakPolarHBondContact O-CB 3.08Å; I377-Y381 VanDerWaalsContact O-CD2 3.27Å; I377-Y381 WeakPolarHBondContact O-CD2 3.06Å; I377-Y381 PolarHBondContact O-N 3.49Å; I378-Y381 PolarHBondContact O-N 3.08Å; Y381-Y383 VanDerWaalsContact C-N 3.32Å; Y381-Y383 PolarHBondContact O-N 3.42Å; Y381-F384 PolarHBondContact O-N 3.21Å; Y381-F384 VanDerWaalsContact O-N 3.16Å; Y381-M385 WeakPolarHBondContact O-CG 3.32Å; Y381-M385 PolarHBondContact O-N 3.49Å; Y381-M421 HydrophobicContact CE2-CE 4Å; Y381-M421 HydrophobicContact CE2-SD 4.49Å; Y381-M421 VanDerWaalsContact OH-CE 3.24Å; Y381-M421 WeakPolarHBondContact OH-CE 3.23Å; Y381-L424 HydrophobicContact CE2-CD2 4.34Å
382S94.7Very high94.1Very high52 Ų5242 Ų4236%0.36422%0.215SC..Hα-helixtrans-62.2-39.5173.2-68.40000111.8I378 F384 M385 C386I378-S382 WeakPolarHBondContact O-CB 3.41Å; I378-S382 PolarHBondContact O-N 2.89Å; I378-S382 PolarHBondContact O-OG 2.85Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 PolarHBondContact O-N 3.42Å; S382-M385 PolarHBondContact O-N 2.82Å; S382-C386 PolarHBondContact O-N 3.29Å
383Y95.7Very high93.5Very high22 Ų2241 Ų419%0.08621%0.213CC..Hα-helixtrans-58-46.8171.1172.3-99.2000112.1K74 I79 A379 V380 Y381 M385 C386 Q387 S416 L420K74-Y383 HydrophobicContact CD-CD2 3.68Å; K74-Y383 HydrophobicContact CD-CE2 3.28Å; K74-Y383 HydrophobicContact CG-CD2 3.17Å; K74-Y383 HydrophobicContact CG-CE2 3.23Å; K74-Y383 HydrophobicContact CG-CG 4.19Å; K74-Y383 PolarHBondContact NZ-OH 3.37Å; I79-Y383 HydrophobicContact CD1-CD1 4.08Å; I79-Y383 HydrophobicContact CD1-CD2 2.88Å; I79-Y383 HydrophobicContact CD1-CE2 3.52Å; I79-Y383 HydrophobicContact CD1-CG 3.16Å; I79-Y383 HydrophobicContact CG1-CD2 4.31Å; I79-Y383 HydrophobicContact CG1-CG 4.32Å; A379-Y383 WeakPolarHBondContact O-CB 3.34Å; A379-Y383 PolarHBondContact O-N 3.22Å; V380-Y383 WeakPolarHBondContact O-CB 3.48Å; V380-Y383 PolarHBondContact O-N 2.68Å; Y381-Y383 VanDerWaalsContact C-N 3.32Å; Y381-Y383 PolarHBondContact O-N 3.42Å; Y383-M385 VanDerWaalsContact C-N 3.32Å; Y383-M385 PolarHBondContact O-N 3.2Å; Y383-C386 PolarHBondContact O-N 3.01Å; Y383-Q387 HydrophobicContact CE1-CB 4.39Å; Y383-Q387 WeakPolarHBondContact O-CB 3.37Å; Y383-Q387 PolarHBondContact O-N 3.48Å; Y383-S416 PolarHBondContact OH-OG 2.91Å; Y383-L420 HydrophobicContact CD1-CD1 3.85Å; Y383-L420 HydrophobicContact CE1-CD1 3.27Å
384F95.6Very high92.8Very high10 Ų1040.8 Ų40.84%0.04421%0.211CC..Hα-helixtrans-68-33.3179.3-73.6-53.5000112.7Y40 V380 Y381 S382 Q387 I388 F417 L420 M421Y40-F384 HydrophobicContact CD2-CB 4.44Å; Y40-F384 HydrophobicContact CD2-CD1 4.41Å; Y40-F384 HydrophobicContact CE2-CB 4.26Å; Y40-F384 AromaticContact CE2-CD1 3.9Å; Y40-F384 HydrophobicContact CE2-CD1 3.9Å; Y40-F384 HydrophobicContact CE2-CG 4.39Å; V380-F384 HydrophobicContact CG1-CD2 3.82Å; V380-F384 HydrophobicContact CG1-CE2 3.49Å; V380-F384 VanDerWaalsContact CG1-CE2 3.49Å; V380-F384 WeakPolarHBondContact O-CD2 3.37Å; V380-F384 PolarHBondContact O-N 3.32Å; V380-F384 VanDerWaalsContact O-N 3.08Å; Y381-F384 PolarHBondContact O-N 3.21Å; Y381-F384 VanDerWaalsContact O-N 3.16Å; S382-F384 VanDerWaalsContact C-N 3.34Å; S382-F384 PolarHBondContact O-N 3.42Å; F384-Q387 HydrophobicContact CD1-CB 4.44Å; F384-Q387 PolarHBondContact O-N 3.33Å; F384-I388 WeakPolarHBondContact O-CG1 3.49Å; F384-I388 PolarHBondContact O-N 3.02Å; F384-F417 AromaticContact CD1-CD2 3.7Å; F384-F417 HydrophobicContact CD1-CD2 3.7Å; F384-F417 HydrophobicContact CD1-CE2 4.36Å; F384-F417 HydrophobicContact CD2-CD2 4.22Å; F384-F417 HydrophobicContact CD2-CE2 4.17Å; F384-F417 HydrophobicContact CE1-CB 3.9Å; F384-F417 AromaticContact CE1-CD2 3.48Å; F384-F417 HydrophobicContact CE1-CD2 3.48Å; F384-F417 VanDerWaalsContact CE1-CD2 3.48Å; F384-F417 HydrophobicContact CE1-CE2 4.35Å; F384-F417 HydrophobicContact CE1-CG 4.05Å; F384-F417 AromaticContact CE2-CD2 3.99Å; F384-F417 HydrophobicContact CE2-CD2 3.99Å; F384-F417 HydrophobicContact CE2-CE2 4.13Å; F384-F417 HydrophobicContact CG-CD2 4.07Å; F384-F417 HydrophobicContact CG-CE2 4.28Å; F384-F417 HydrophobicContact CZ-CB 4.22Å; F384-F417 AromaticContact CZ-CD2 3.62Å; F384-F417 HydrophobicContact CZ-CD2 3.62Å; F384-F417 HydrophobicContact CZ-CE2 4.21Å; F384-F417 HydrophobicContact CZ-CG 4.09Å; F384-L420 HydrophobicContact CE2-CB 4.39Å; F384-L420 HydrophobicContact CZ-CB 3.79Å; F384-L420 HydrophobicContact CZ-CD1 4.47Å; F384-M421 HydrophobicContact CE2-CB 3.89Å; F384-M421 HydrophobicContact CE2-SD 4.17Å; F384-M421 HydrophobicContact CZ-CB 4.11Å
385M94.5Very high91.5Very high118 Ų11842.1 Ų42.158%0.58122%0.217SC*.Hα-helixtrans-58.4-51.6171.3-71.4-63.8169.100111Y381 S382 Y383 Q387 I388 F389Y381-M385 WeakPolarHBondContact O-CG 3.32Å; Y381-M385 PolarHBondContact O-N 3.49Å; S382-M385 PolarHBondContact O-N 2.82Å; Y383-M385 VanDerWaalsContact C-N 3.32Å; Y383-M385 PolarHBondContact O-N 3.2Å; M385-Q387 VanDerWaalsContact C-N 3.34Å; M385-Q387 PolarHBondContact O-N 3.49Å; M385-I388 PolarHBondContact O-N 2.99Å; M385-F389 VanDerWaalsContact O-CD2 3.28Å; M385-F389 WeakPolarHBondContact O-CD2 3.39Å
386C94.9Very high89.8Confident19 Ų1943.7 Ų43.713%0.12822%0.219CC..Hα-helixtrans-63.6-39.2175.4-66.90000112.3C70 K74 S382 Y383 I388 F389 A390C70-C386 HydrophobicContact CB-CB 4.15Å; C70-C386 WeakPolarHBondContact CB-O 3.35Å; K74-C386 HydrophobicContact CB-CB 4.06Å; K74-C386 HydrophobicContact CG-CB 4.38Å; S382-C386 PolarHBondContact O-N 3.29Å; Y383-C386 PolarHBondContact O-N 3.01Å; C386-I388 VanDerWaalsContact C-N 3.34Å; C386-I388 PolarHBondContact O-N 3Å; C386-F389 PolarHBondContact O-N 3.38Å; C386-A390 VanDerWaalsContact O-CB 3.26Å; C386-A390 WeakPolarHBondContact O-CB 3.43Å; C386-A390 PolarHBondContact O-N 2.92Å
387Q93.5Very high87.9Confident13 Ų1352.3 Ų52.36%0.06125%0.252CS..Hα-helixtrans-61.4-40-179.5179.466.6-5.800112.3Y40 K74 Y383 F384 M385 F389 A390 C391 S413Y40-Q387 VanDerWaalsContact OH-CG 3.31Å; Y40-Q387 WeakPolarHBondContact OH-CG 3.48Å; K74-Q387 HydrophobicContact CD-CB 3.98Å; K74-Q387 VanDerWaalsContact CE-OE1 3.23Å; Y383-Q387 HydrophobicContact CE1-CB 4.39Å; Y383-Q387 WeakPolarHBondContact O-CB 3.37Å; Y383-Q387 PolarHBondContact O-N 3.48Å; F384-Q387 HydrophobicContact CD1-CB 4.44Å; F384-Q387 PolarHBondContact O-N 3.33Å; M385-Q387 VanDerWaalsContact C-N 3.34Å; M385-Q387 PolarHBondContact O-N 3.49Å; Q387-F389 VanDerWaalsContact C-N 3.28Å; Q387-F389 PolarHBondContact O-N 3.41Å; Q387-A390 PolarHBondContact O-N 3.12Å; Q387-C391 PolarHBondContact NE2-SG 3.26Å; Q387-C391 WeakPolarHBondContact O-CB 3.48Å; Q387-C391 PolarHBondContact O-N 2.96Å; Q387-S413 PolarHBondContact NE2-OG 2.97Å
388I93.4Very high85.9Confident13 Ų1352.1 Ų52.17%0.06725%0.252CS..Hα-helixtrans-60.8-39.7-179.9-71.2164.6000110.8Y40 A43 L47 F384 M385 C386 Q392Y40-I388 HydrophobicContact CD2-CD1 3.73Å; Y40-I388 HydrophobicContact CD2-CG1 3.66Å; Y40-I388 HydrophobicContact CE2-CD1 3.82Å; Y40-I388 HydrophobicContact CE2-CG1 3.23Å; A43-I388 HydrophobicContact CB-CD1 4.17Å; L47-I388 HydrophobicContact CD1-CG2 3.34Å; F384-I388 WeakPolarHBondContact O-CG1 3.49Å; F384-I388 PolarHBondContact O-N 3.02Å; M385-I388 PolarHBondContact O-N 2.99Å; C386-I388 VanDerWaalsContact C-N 3.34Å; C386-I388 PolarHBondContact O-N 3Å; I388-Q392 WeakPolarHBondContact O-CG 3.4Å; I388-Q392 PolarHBondContact O-NE2 3.46Å
389F93.4Very high83.9Confident57 Ų5753.6 Ų53.625%0.2526%0.256CS..Hα-helixtrans-73.1-47.6173.3-70.2-81.9000111.3L47 F63 I66 V67 C70 M385 C386 Q387 C391 Q392L47-F389 HydrophobicContact CD1-CD1 4.29Å; L47-F389 HydrophobicContact CD1-CE1 3.99Å; L47-F389 HydrophobicContact CD1-CZ 4.1Å; L47-F389 HydrophobicContact CD2-CE1 3.81Å; L47-F389 HydrophobicContact CD2-CZ 4.21Å; F63-F389 HydrophobicContact CE2-CD1 4.03Å; F63-F389 HydrophobicContact CE2-CE1 4.14Å; F63-F389 HydrophobicContact CZ-CD1 4.42Å; I66-F389 HydrophobicContact CG2-CD1 4.06Å; I66-F389 HydrophobicContact CG2-CE1 4.38Å; I66-F389 HydrophobicContact CG2-CG 4.43Å; V67-F389 WeakPolarHBondContact CG1-O 3.39Å; V67-F389 HydrophobicContact CG2-CB 4.48Å; V67-F389 WeakPolarHBondContact CG2-O 3.21Å; C70-F389 HydrophobicContact CB-CB 3.85Å; M385-F389 VanDerWaalsContact O-CD2 3.28Å; M385-F389 WeakPolarHBondContact O-CD2 3.39Å; C386-F389 PolarHBondContact O-N 3.38Å; Q387-F389 VanDerWaalsContact C-N 3.28Å; Q387-F389 PolarHBondContact O-N 3.41Å; F389-C391 PolarHBondContact O-N 3.01Å; F389-C391 VanDerWaalsContact O-N 3.13Å; F389-Q392 WeakPolarHBondContact O-CB 3.39Å; F389-Q392 WeakPolarHBondContact O-CG 3.4Å; F389-Q392 PolarHBondContact O-N 3.16Å
390A91.1Very high81.9Confident14 Ų1459.1 Ų59.112%0.11628%0.284CS..Hα-helixtrans-59.6-27.6-176.900000114V71 C386 Q387V71-A390 HydrophobicContact CB-CB 4.41Å; V71-A390 HydrophobicContact CG2-CB 3.58Å; C386-A390 VanDerWaalsContact O-CB 3.26Å; C386-A390 WeakPolarHBondContact O-CB 3.43Å; C386-A390 PolarHBondContact O-N 2.92Å; Q387-A390 PolarHBondContact O-N 3.12Å
391C89.1Confident79.6Confident30 Ų3062.5 Ų62.520%0.20332%0.319CS..THydrogen-bonded Turntrans-88.5-0.6178.2-76.90000114.8Y44 Q387 F389Y44-C391 HydrophobicContact CE2-CB 4.37Å; Q387-C391 PolarHBondContact NE2-SG 3.26Å; Q387-C391 WeakPolarHBondContact O-CB 3.48Å; Q387-C391 PolarHBondContact O-N 2.96Å; F389-C391 PolarHBondContact O-N 3.01Å; F389-C391 VanDerWaalsContact O-N 3.13Å
392Q88.3Confident77.5Confident7 Ų766 Ų663%0.03334%0.338CS..  trans-66.7137177-62.8-65-34.500110.2Y44 N48 F63 V67 I388 F389 V394Y44-Q392 PolarHBondContact O-NE2 3.33Å; N48-Q392 VanDerWaalsContact CA-OE1 3.29Å; N48-Q392 PolarHBondContact ND2-OE1 2.93Å; F63-Q392 HydrophobicContact CE1-CB 4.07Å; F63-Q392 HydrophobicContact CE1-CG 4.26Å; F63-Q392 HydrophobicContact CZ-CB 4.27Å; F63-Q392 HydrophobicContact CZ-CG 3.93Å; V67-Q392 HydrophobicContact CG2-CB 4.37Å; I388-Q392 WeakPolarHBondContact O-CG 3.4Å; I388-Q392 PolarHBondContact O-NE2 3.46Å; F389-Q392 WeakPolarHBondContact O-CB 3.39Å; F389-Q392 WeakPolarHBondContact O-CG 3.4Å; F389-Q392 PolarHBondContact O-N 3.16Å; Q392-V394 HydrophobicContact CB-CG2 3.98Å
393F79.6Confident75.3Confident65 Ų6571.6 Ų71.629%0.28536%0.358SS..  trans-86.8117.7172.1-65-82.8000109Y44 D406 L407Y44-F393 WeakPolarHBondContact OH-CD2 3.3Å; F393-D406 VanDerWaalsContact CB-OD1 3.25Å; F393-D406 WeakPolarHBondContact CB-OD1 3.41Å; F393-D406 WeakPolarHBondContact CG-OD1 3.24Å; F393-L407 HydrophobicContact CE2-CB 4.48Å; F393-L407 WeakPolarHBondContact CE2-O 3.19Å; F393-L407 HydrophobicContact CZ-CB 4.13Å
394V78.4Confident73.1Confident10 Ų1077.5 Ų77.56%0.06139%0.391CS..  trans-125.9137.6-165.2-173.60000109.6Y51 F63 E64 V67 Q392 H396 R397Y51-V394 HydrophobicContact CE1-CG1 4.31Å; Y51-V394 HydrophobicContact CE2-CG1 3.78Å; Y51-V394 VanDerWaalsContact OH-CG1 3.25Å; Y51-V394 WeakPolarHBondContact OH-CG1 3.11Å; F63-V394 HydrophobicContact CD1-CG2 4.42Å; F63-V394 HydrophobicContact CE1-CG2 4.13Å; E64-V394 HydrophobicContact CB-CG1 4.34Å; E64-V394 HydrophobicContact CG-CB 4.34Å; E64-V394 HydrophobicContact CG-CG1 3.02Å; E64-V394 WeakPolarHBondContact OE1-CG1 3.18Å; V67-V394 HydrophobicContact CG1-CG2 4.48Å; V67-V394 HydrophobicContact CG2-CG2 4.25Å; Q392-V394 HydrophobicContact CB-CG2 3.98Å; V394-H396 PolarHBondContact O-N 3.02Å; V394-R397 WeakPolarHBondContact O-CB 3.08Å; V394-R397 PolarHBondContact O-N 3.42Å; V394-R397 VanDerWaalsContact O-N 3.12Å
395Q68.1Low71.2Confident118 Ų11881.8 Ų81.855%0.55142%0.418SS*.Hα-helixtrans-62.6-37.8-164.3-172.3684.400113.7Y51 R397 N398Y51-Q395 WeakPolarHBondContact OH-CB 3.21Å; Y51-Q395 PolarHBondContact OH-N 3.38Å; Q395-R397 PolarHBondContact O-N 3.15Å; Q395-N398 WeakPolarHBondContact O-CB 3.38Å; Q395-N398 PolarHBondContact O-N 3.06Å
396H61.8Low69.5Low108 Ų10879.6 Ų79.650%0.541%0.409SS..Hα-helixtrans-63.9-27.7179.1-16766.6000112.8E64 V394 N398 Q399E64-H396 WeakPolarHBondContact OE2-CB 3.27Å; E64-H396 IonicContact OE2-CG 2.72Å; V394-H396 PolarHBondContact O-N 3.02Å; H396-N398 VanDerWaalsContact C-N 3.27Å; H396-N398 PolarHBondContact O-N 2.96Å; H396-Q399 PolarHBondContact O-N 3.37Å
397R54.8Low67.9Low181 Ų18182 Ų8268%0.68342%0.42SS*.Hα-helixtrans-67.8-26174.2-165.3174.2179.6140.81.8112.8V394 Q395V394-R397 WeakPolarHBondContact O-CB 3.08Å; V394-R397 PolarHBondContact O-N 3.42Å; V394-R397 VanDerWaalsContact O-N 3.12Å; Q395-R397 PolarHBondContact O-N 3.15Å
398N53.1Low66.9Low51 Ų5187.1 Ų87.127%0.27344%0.44SS..Hα-helixtrans-81.1-21.6-179.7-68.6-16.7000113.3Q395 H396 N400 G401Q395-N398 WeakPolarHBondContact O-CB 3.38Å; Q395-N398 PolarHBondContact O-N 3.06Å; H396-N398 VanDerWaalsContact C-N 3.27Å; H396-N398 PolarHBondContact O-N 2.96Å; N398-N400 PolarHBondContact O-N 3.44Å; N398-G401 PolarHBondContact O-N 2.87Å
399Q54.7Low66.2Low134 Ų13489.5 Ų89.563%0.62646%0.455SS*.THydrogen-bonded Turntrans-66.3-24-177.8-67.4-177.3-2.900113.1H396 G401H396-Q399 PolarHBondContact O-N 3.37Å; Q399-G401 PolarHBondContact O-N 3.02Å
400N53.5Low65.8Low131 Ų13187.3 Ų87.370%0.70145%0.446SS*.THydrogen-bonded Turntrans-76.922.7179.6-68.5-11.9000114.3N398 Q402N398-N400 PolarHBondContact O-N 3.44Å; N400-Q402 VanDerWaalsContact C-N 3.29Å; N400-Q402 PolarHBondContact O-N 3.4Å; N400-Q402 VanDerWaalsContact O-N 3.16Å
401G49Very low65.6Low71 Ų7190.3 Ų90.373%0.73246%0.459SS*.SBendtrans72.77.7164.200000116.7N398 Q399N398-G401 PolarHBondContact O-N 2.87Å; Q399-G401 PolarHBondContact O-N 3.02Å
402Q51.1Low65.6Low162 Ų16296.8 Ų96.876%0.75748%0.484SS*.  trans-103.2101-179.4-71.5-174.5-18.100111.4N400N400-Q402 VanDerWaalsContact C-N 3.29Å; N400-Q402 PolarHBondContact O-N 3.4Å; N400-Q402 VanDerWaalsContact O-N 3.16Å
403H48.2Very low65.6Low170 Ų17096.7 Ų96.779%0.78748%0.484SS*.  trans41.8106160.8-67.8-77.2000118.9V405H403-V405 PolarHBondContact O-N 3.41Å
404N49.5Very low66.2Low146 Ų14695.1 Ų95.178%0.78148%0.478SS*.  trans-62.941.2170.5-71.4-30.9000115.7D406N404-D406 VanDerWaalsContact C-N 3.31Å; N404-D406 PolarHBondContact O-N 3.03Å
405V55.4Low66.9Low100 Ų10099.5 Ų99.561%0.60650%0.497SS*.  trans-91.677170.2-169.60000108.2H403 L407H403-V405 PolarHBondContact O-N 3.41Å; V405-L407 HydrophobicContact CG1-CD1 4.03Å; V405-L407 HydrophobicContact CG1-CG 3.99Å; V405-L407 PolarHBondContact O-N 2.73Å
406D59.4Low68Low71 Ų7195.3 Ų95.338%0.3848%0.481SS..  trans-71.484.1169.4-167.523.3000107.8R52 F393 N404 Y408R52-D406 IonicContact CZ-OD2 3.84Å; R52-D406 IonicContact NH1-OD2 3.67Å; R52-D406 IonicContact NH2-OD1 3.97Å; R52-D406 PolarHBondContact NH2-OD1 2.91Å; R52-D406 IonicContact NH2-OD2 3.19Å; R52-D406 PolarHBondContact NH2-OD2 2.93Å; F393-D406 VanDerWaalsContact CB-OD1 3.25Å; F393-D406 WeakPolarHBondContact CB-OD1 3.41Å; F393-D406 WeakPolarHBondContact CG-OD1 3.24Å; N404-D406 VanDerWaalsContact C-N 3.31Å; N404-D406 PolarHBondContact O-N 3.03Å; D406-Y408 VanDerWaalsContact C-N 3.28Å; D406-Y408 PolarHBondContact O-N 3.36Å
407L61.2Low69.6Low70 Ų7090.5 Ų90.537%0.36646%0.458SS..  trans-64.992.2174.7-90.1141.5000108F393 V405 V409 I411F393-L407 HydrophobicContact CE2-CB 4.48Å; F393-L407 WeakPolarHBondContact CE2-O 3.19Å; F393-L407 HydrophobicContact CZ-CB 4.13Å; V405-L407 HydrophobicContact CG1-CD1 4.03Å; V405-L407 HydrophobicContact CG1-CG 3.99Å; V405-L407 PolarHBondContact O-N 2.73Å; L407-V409 CarbonylContact O-C 3.49Å; L407-V409 PolarHBondContact O-N 3.13Å; L407-I411 HydrophobicContact CD2-CD1 3.95Å
408Y72Confident71.5Confident121 Ų12182.9 Ų82.948%0.47543%0.431SS..SBendtrans-48.9-34.4176.9-175-98.9000112.1Y45 D406Y45-Y408 HydrophobicContact CD1-CE1 4.45Å; Y45-Y408 AromaticContact CE1-CD1 4Å; Y45-Y408 HydrophobicContact CE1-CD1 4Å; Y45-Y408 AromaticContact CE1-CE1 3.51Å; Y45-Y408 HydrophobicContact CE1-CE1 3.51Å; Y45-Y408 HydrophobicContact CE1-CE2 4.31Å; Y45-Y408 AromaticContact CE1-CZ 3.69Å; Y45-Y408 AromaticContact CZ-CE1 3.95Å; Y45-Y408 PolarHBondContact OH-O 3.32Å; D406-Y408 VanDerWaalsContact C-N 3.28Å; D406-Y408 PolarHBondContact O-N 3.36Å
409V78.9Confident73.4Confident63 Ų6387.6 Ų87.638%0.38245%0.449SS..SBendtrans-97.7119.6172-175.30000110.1L407 I411 I414L407-V409 CarbonylContact O-C 3.49Å; L407-V409 PolarHBondContact O-N 3.13Å; V409-I411 VanDerWaalsContact C-N 3.29Å; V409-I411 HydrophobicContact CB-CG1 4.42Å; V409-I411 HydrophobicContact CG1-CG1 4.1Å; V409-I411 PolarHBondContact O-N 3.46Å; V409-I414 HydrophobicContact CG1-CD1 3.98Å
410P85.1Confident75.3Confident11 Ų1182.3 Ų82.37%0.07143%0.425CS..  trans-8070.1-178.434.7-38.5000112Y44 F412 S413 I414Y44-P410 HydrophobicContact CD1-CG 3.81Å; Y44-P410 HydrophobicContact CD2-CB 4.5Å; Y44-P410 HydrophobicContact CD2-CG 4.06Å; Y44-P410 HydrophobicContact CE1-CB 4.28Å; Y44-P410 HydrophobicContact CE1-CG 3.59Å; Y44-P410 HydrophobicContact CE2-CB 3.92Å; Y44-P410 HydrophobicContact CE2-CG 3.85Å; Y44-P410 HydrophobicContact CG-CG 4.05Å; P410-F412 PolarHBondContact O-N 2.91Å; P410-S413 WeakPolarHBondContact O-CB 3.35Å; P410-S413 PolarHBondContact O-N 2.93Å; P410-S413 VanDerWaalsContact O-N 3.11Å; P410-I414 WeakPolarHBondContact O-CG1 3.48Å; P410-I414 PolarHBondContact O-N 3.26Å
411I87.5Confident77.3Confident76 Ų7676.1 Ų76.139%0.3939%0.392SS..Hα-helixtrans-54.8-49.7-171.8-62.8170.9000112.8L407 V409 S413 I414 F415L407-I411 HydrophobicContact CD2-CD1 3.95Å; V409-I411 VanDerWaalsContact C-N 3.29Å; V409-I411 HydrophobicContact CB-CG1 4.42Å; V409-I411 HydrophobicContact CG1-CG1 4.1Å; V409-I411 PolarHBondContact O-N 3.46Å; I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 PolarHBondContact O-N 3.19Å; I411-I414 WeakPolarHBondContact O-CB 3.4Å; I411-I414 PolarHBondContact O-N 3.41Å; I411-I414 VanDerWaalsContact O-N 3.14Å; I411-F415 HydrophobicContact CG2-CD2 3.81Å; I411-F415 HydrophobicContact CG2-CE2 3.34Å; I411-F415 HydrophobicContact CG2-CZ 4.16Å; I411-F415 WeakPolarHBondContact O-CD2 3.13Å; I411-F415 PolarHBondContact O-N 3.2Å
412F87.6Confident79.5Confident167 Ų16772.8 Ų72.873%0.73236%0.358SS*.Hα-helixtrans-64.2-33.3-179.4-66-67.3000113P410 F415 S416P410-F412 PolarHBondContact O-N 2.91Å; F412-F415 PolarHBondContact O-N 2.92Å; F412-S416 PolarHBondContact O-N 3.17Å
413S89.2Confident81.6Confident5 Ų571.5 Ų71.54%0.03535%0.346CS..Hα-helixtrans-69.9-36.7175.8-166.20000111.8Y40 Q387 P410 I411 F415 S416 F417Y40-S413 PolarHBondContact OH-OG 3.46Å; Q387-S413 PolarHBondContact NE2-OG 2.97Å; P410-S413 WeakPolarHBondContact O-CB 3.35Å; P410-S413 PolarHBondContact O-N 2.93Å; P410-S413 VanDerWaalsContact O-N 3.11Å; I411-S413 VanDerWaalsContact C-N 3.27Å; I411-S413 PolarHBondContact O-N 3.19Å; S413-F415 VanDerWaalsContact C-N 3.34Å; S413-S416 PolarHBondContact O-N 2.72Å; S413-F417 WeakPolarHBondContact O-CB 3.26Å; S413-F417 PolarHBondContact O-N 3.39Å
414I92.3Very high83.9Confident31 Ų3163.4 Ų63.416%0.15931%0.309CS..Hα-helixtrans-63-43.4173.9-67.3165.7000109.8L37 I41 V409 P410 I411 F417 L418L37-I414 HydrophobicContact CD1-CG2 4.12Å; I41-I414 HydrophobicContact CD1-CD1 4.27Å; I41-I414 HydrophobicContact CD1-CG1 4.46Å; I41-I414 HydrophobicContact CG1-CG1 4.5Å; V409-I414 HydrophobicContact CG1-CD1 3.98Å; P410-I414 WeakPolarHBondContact O-CG1 3.48Å; P410-I414 PolarHBondContact O-N 3.26Å; I411-I414 WeakPolarHBondContact O-CB 3.4Å; I411-I414 PolarHBondContact O-N 3.41Å; I411-I414 VanDerWaalsContact O-N 3.14Å; I414-F417 WeakPolarHBondContact O-CB 3.15Å; I414-F417 PolarHBondContact O-N 2.75Å; I414-L418 HydrophobicContact CG2-CD1 4.16Å; I414-L418 HydrophobicContact CG2-CG 4.41Å; I414-L418 WeakPolarHBondContact O-CG 3.4Å; I414-L418 PolarHBondContact O-N 2.93Å
415F92.3Very high86Confident103 Ų10358.2 Ų58.245%0.45228%0.279SS..Hα-helixtrans-63.3-47175.2-70.8-51.2000112.6I411 F412 S413 F417 L418 F419I411-F415 HydrophobicContact CG2-CD2 3.81Å; I411-F415 HydrophobicContact CG2-CE2 3.34Å; I411-F415 HydrophobicContact CG2-CZ 4.16Å; I411-F415 WeakPolarHBondContact O-CD2 3.13Å; I411-F415 PolarHBondContact O-N 3.2Å; F412-F415 PolarHBondContact O-N 2.92Å; S413-F415 VanDerWaalsContact C-N 3.34Å; F415-F417 PolarHBondContact O-N 3.18Å; F415-L418 HydrophobicContact CD1-CD1 4.48Å; F415-L418 PolarHBondContact O-N 3.19Å; F415-F419 HydrophobicContact CB-CD2 4.48Å; F415-F419 HydrophobicContact CB-CE2 4.13Å; F415-F419 WeakPolarHBondContact O-CD2 3.28Å; F415-F419 WeakPolarHBondContact O-CG 3.4Å; F415-F419 PolarHBondContact O-N 3.16Å
416S91.7Very high87.8Confident30 Ų3055.5 Ų55.521%0.2126%0.263CS..Hα-helixtrans-57.3-38.3174.8-178.30000111.6Y383 F412 S413 L420Y383-S416 PolarHBondContact OH-OG 2.91Å; F412-S416 PolarHBondContact O-N 3.17Å; S413-S416 PolarHBondContact O-N 2.72Å; S416-L420 PolarHBondContact O-N 3.47Å; S416-L420 VanDerWaalsContact O-N 3.09Å
417F94.9Very high89.5Confident7 Ų752.1 Ų52.13%0.03125%0.245CC..Hα-helixtrans-62.7-53.3174-176.2-83.6000112.3D36 L37 Y40 F384 S413 I414 F415 F419 L420 M421D36-F417 HydrophobicContact CB-CE1 4.39Å; D36-F417 HydrophobicContact CB-CZ 3.76Å; L37-F417 HydrophobicContact CB-CD1 4.22Å; L37-F417 HydrophobicContact CB-CE1 3.74Å; L37-F417 HydrophobicContact CB-CZ 4.49Å; L37-F417 HydrophobicContact CD1-CD1 3.61Å; L37-F417 HydrophobicContact CD1-CE1 3.99Å; L37-F417 HydrophobicContact CD1-CG 4.21Å; L37-F417 HydrophobicContact CG-CD1 4.49Å; L37-F417 HydrophobicContact CG-CE1 4.48Å; Y40-F417 HydrophobicContact CD1-CD2 4.12Å; Y40-F417 HydrophobicContact CD1-CG 4.46Å; Y40-F417 AromaticContact CD2-CD2 3.49Å; Y40-F417 HydrophobicContact CD2-CD2 3.49Å; Y40-F417 VanDerWaalsContact CD2-CD2 3.49Å; Y40-F417 AromaticContact CD2-CE2 3.67Å; Y40-F417 HydrophobicContact CD2-CE2 3.67Å; Y40-F417 AromaticContact CE2-CD2 3.94Å; Y40-F417 HydrophobicContact CE2-CD2 3.94Å; Y40-F417 HydrophobicContact CE2-CE2 4.5Å; Y40-F417 AromaticContact CG-CD2 3.61Å; Y40-F417 HydrophobicContact CG-CD2 3.61Å; Y40-F417 AromaticContact CG-CE2 3.75Å; Y40-F417 HydrophobicContact CG-CE2 3.75Å; Y40-F417 HydrophobicContact CG-CG 4.34Å; F384-F417 AromaticContact CD1-CD2 3.7Å; F384-F417 HydrophobicContact CD1-CD2 3.7Å; F384-F417 HydrophobicContact CD1-CE2 4.36Å; F384-F417 HydrophobicContact CD2-CD2 4.22Å; F384-F417 HydrophobicContact CD2-CE2 4.17Å; F384-F417 HydrophobicContact CE1-CB 3.9Å; F384-F417 AromaticContact CE1-CD2 3.48Å; F384-F417 HydrophobicContact CE1-CD2 3.48Å; F384-F417 VanDerWaalsContact CE1-CD2 3.48Å; F384-F417 HydrophobicContact CE1-CE2 4.35Å; F384-F417 HydrophobicContact CE1-CG 4.05Å; F384-F417 AromaticContact CE2-CD2 3.99Å; F384-F417 HydrophobicContact CE2-CD2 3.99Å; F384-F417 HydrophobicContact CE2-CE2 4.13Å; F384-F417 HydrophobicContact CG-CD2 4.07Å; F384-F417 HydrophobicContact CG-CE2 4.28Å; F384-F417 HydrophobicContact CZ-CB 4.22Å; F384-F417 AromaticContact CZ-CD2 3.62Å; F384-F417 HydrophobicContact CZ-CD2 3.62Å; F384-F417 HydrophobicContact CZ-CE2 4.21Å; F384-F417 HydrophobicContact CZ-CG 4.09Å; S413-F417 WeakPolarHBondContact O-CB 3.26Å; S413-F417 PolarHBondContact O-N 3.39Å; I414-F417 WeakPolarHBondContact O-CB 3.15Å; I414-F417 PolarHBondContact O-N 2.75Å; F415-F417 PolarHBondContact O-N 3.18Å; F417-F419 VanDerWaalsContact C-N 3.26Å; F417-F419 PolarHBondContact O-N 2.75Å; F417-L420 PolarHBondContact O-N 3.18Å; F417-M421 HydrophobicContact CD1-CB 4.06Å; F417-M421 HydrophobicContact CE1-CB 3.77Å; F417-M421 HydrophobicContact CE1-CG 3.91Å; F417-M421 HydrophobicContact CE2-CB 4.24Å; F417-M421 HydrophobicContact CE2-CG 4.34Å; F417-M421 HydrophobicContact CG-CB 4.42Å; F417-M421 HydrophobicContact CZ-CB 3.88Å; F417-M421 HydrophobicContact CZ-CG 3.72Å; F417-M421 WeakPolarHBondContact O-CA 3.15Å; F417-M421 WeakPolarHBondContact O-CB 3.13Å; F417-M421 PolarHBondContact O-N 3.49Å
418L94.2Very high91Very high20 Ų2051.5 Ų51.511%0.10524%0.241CC..Hα-helixtrans-57.4-40.2179.8-71.3174.7000111.9Y30 V33 L37 I414 F415 G422Y30-L418 HydrophobicContact CD1-CD2 4.39Å; Y30-L418 HydrophobicContact CE1-CD1 4.19Å; Y30-L418 HydrophobicContact CE1-CD2 4.43Å; V33-L418 HydrophobicContact CG2-CD2 3.6Å; L37-L418 HydrophobicContact CD2-CD2 4.14Å; I414-L418 HydrophobicContact CG2-CD1 4.16Å; I414-L418 HydrophobicContact CG2-CG 4.41Å; I414-L418 WeakPolarHBondContact O-CG 3.4Å; I414-L418 PolarHBondContact O-N 2.93Å; F415-L418 HydrophobicContact CD1-CD1 4.48Å; F415-L418 PolarHBondContact O-N 3.19Å; L418-G422 WeakPolarHBondContact O-CA 3.48Å; L418-G422 PolarHBondContact O-N 3.4Å
419F93.6Very high91.8Very high150 Ų15047 Ų4766%0.65823%0.228SC*.Hα-helixtrans-68.4-53.3178.2-67.5-52000112.5F415 F417 W423F415-F419 HydrophobicContact CB-CD2 4.48Å; F415-F419 HydrophobicContact CB-CE2 4.13Å; F415-F419 WeakPolarHBondContact O-CD2 3.28Å; F415-F419 WeakPolarHBondContact O-CG 3.4Å; F415-F419 PolarHBondContact O-N 3.16Å; F417-F419 VanDerWaalsContact C-N 3.26Å; F417-F419 PolarHBondContact O-N 2.75Å; F419-W423 WeakPolarHBondContact O-CB 3.49Å; F419-W423 PolarHBondContact O-N 3.11Å
420L95.3Very high92.4Very high23 Ų2344.9 Ų44.912%0.1222%0.215CC..Hα-helixtrans-74.4-47.3-175.2-67.1173.1000112.4I79 L83 Y383 F384 S416 F417 W423 L424I79-L420 HydrophobicContact CG2-CD2 4.05Å; L83-L420 HydrophobicContact CD2-CD2 4.15Å; L83-L420 WeakPolarHBondContact CD2-O 3.42Å; Y383-L420 HydrophobicContact CD1-CD1 3.85Å; Y383-L420 HydrophobicContact CE1-CD1 3.27Å; F384-L420 HydrophobicContact CE2-CB 4.39Å; F384-L420 HydrophobicContact CZ-CB 3.79Å; F384-L420 HydrophobicContact CZ-CD1 4.47Å; S416-L420 PolarHBondContact O-N 3.47Å; S416-L420 VanDerWaalsContact O-N 3.09Å; F417-L420 PolarHBondContact O-N 3.18Å; L420-W423 PolarHBondContact O-N 3.22Å; L420-L424 PolarHBondContact O-N 3.29Å
421M95.9Very high92.6Very high2 Ų246.9 Ų46.91%0.0122%0.223CC..Hα-helixtrans-68.2-40.8178.1-165.963.2-161.500110.8V33 D36 V380 Y381 F384 F417 W423 L424 K425V33-M421 HydrophobicContact CG1-CG 4.45Å; D36-M421 HydrophobicContact CB-CE 4.44Å; D36-M421 HydrophobicContact CB-CG 4.46Å; V380-M421 HydrophobicContact CG1-SD 4.23Å; Y381-M421 HydrophobicContact CE2-CE 4Å; Y381-M421 HydrophobicContact CE2-SD 4.49Å; Y381-M421 VanDerWaalsContact OH-CE 3.24Å; Y381-M421 WeakPolarHBondContact OH-CE 3.23Å; F384-M421 HydrophobicContact CE2-CB 3.89Å; F384-M421 HydrophobicContact CE2-SD 4.17Å; F384-M421 HydrophobicContact CZ-CB 4.11Å; F417-M421 HydrophobicContact CD1-CB 4.06Å; F417-M421 HydrophobicContact CE1-CB 3.77Å; F417-M421 HydrophobicContact CE1-CG 3.91Å; F417-M421 HydrophobicContact CE2-CB 4.24Å; F417-M421 HydrophobicContact CE2-CG 4.34Å; F417-M421 HydrophobicContact CG-CB 4.42Å; F417-M421 HydrophobicContact CZ-CB 3.88Å; F417-M421 HydrophobicContact CZ-CG 3.72Å; F417-M421 WeakPolarHBondContact O-CA 3.15Å; F417-M421 WeakPolarHBondContact O-CB 3.13Å; F417-M421 PolarHBondContact O-N 3.49Å; M421-W423 VanDerWaalsContact C-N 3.34Å; M421-W423 PolarHBondContact O-N 3Å; M421-L424 HydrophobicContact CE-CD2 4.2Å; M421-L424 PolarHBondContact O-N 3.31Å; M421-L424 HydrophobicContact SD-CD2 4.15Å; M421-K425 HydrophobicContact CE-CD 3.87Å; M421-K425 HydrophobicContact CE-CG 4.03Å; M421-K425 HydrophobicContact CG-CG 4.42Å; M421-K425 WeakPolarHBondContact O-CB 3.33Å; M421-K425 VanDerWaalsContact O-CG 3.27Å; M421-K425 WeakPolarHBondContact O-CG 3.48Å; M421-K425 PolarHBondContact O-N 3.29Å
422G94.8Very high92.6Very high1 Ų145.8 Ų45.81%0.0122%0.219CC..Hα-helixtrans-59.3-45.3174.900000112.2L418 K425 V426L418-G422 WeakPolarHBondContact O-CA 3.48Å; L418-G422 PolarHBondContact O-N 3.4Å; G422-K425 PolarHBondContact O-N 2.86Å; G422-V426 VanDerWaalsContact O-CG2 3.3Å; G422-V426 WeakPolarHBondContact O-CG2 3.45Å; G422-V426 PolarHBondContact O-N 2.79Å
423W94.8Very high92.8Very high134 Ų13438 Ų3851%0.50818%0.184SC..Hα-helixtrans-64.9-41.5178.4-159.1-125.2000112.8L83 V87 F419 L420 M421 V426 A427L83-W423 HydrophobicContact CD2-CB 4.03Å; L83-W423 HydrophobicContact CD2-CG 4.36Å; V87-W423 HydrophobicContact CB-CZ2 4.43Å; V87-W423 HydrophobicContact CG1-CD2 4.26Å; V87-W423 HydrophobicContact CG1-CH2 4.44Å; V87-W423 HydrophobicContact CG1-CZ2 3.72Å; V87-W423 VanDerWaalsContact CG2-CD1 3.44Å; V87-W423 HydrophobicContact CG2-CD2 4.39Å; V87-W423 HydrophobicContact CG2-CG 4.01Å; F419-W423 WeakPolarHBondContact O-CB 3.49Å; F419-W423 PolarHBondContact O-N 3.11Å; L420-W423 PolarHBondContact O-N 3.22Å; M421-W423 VanDerWaalsContact C-N 3.34Å; M421-W423 PolarHBondContact O-N 3Å; W423-V426 PolarHBondContact O-N 2.9Å; W423-A427 PolarHBondContact O-N 2.98Å
424L96.3Very high92.9Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-58.3-48.6170.6175.461.2000111.4L83 F86 V376 I377 V380 Y381 L420 M421 V426 A427 L428L83-L424 HydrophobicContact CD1-CB 3.92Å; L83-L424 HydrophobicContact CD1-CD1 4.05Å; F86-L424 HydrophobicContact CD1-CD1 4.5Å; F86-L424 HydrophobicContact CE1-CD1 4.13Å; V376-L424 HydrophobicContact CG1-CD1 4.07Å; I377-L424 HydrophobicContact CG1-CD1 4.38Å; I377-L424 HydrophobicContact CG1-CD2 4.43Å; V380-L424 HydrophobicContact CB-CD2 3.94Å; V380-L424 HydrophobicContact CG1-CD2 3.81Å; V380-L424 HydrophobicContact CG2-CD2 4.16Å; Y381-L424 HydrophobicContact CE2-CD2 4.34Å; L420-L424 PolarHBondContact O-N 3.29Å; M421-L424 HydrophobicContact CE-CD2 4.2Å; M421-L424 PolarHBondContact O-N 3.31Å; M421-L424 HydrophobicContact SD-CD2 4.15Å; L424-V426 PolarHBondContact O-N 2.9Å; L424-A427 PolarHBondContact O-N 2.88Å; L424-L428 HydrophobicContact CD1-CD1 4.11Å; L424-L428 HydrophobicContact CD1-CG 4.16Å; L424-L428 HydrophobicContact CG-CD1 3.94Å; L424-L428 HydrophobicContact CG-CG 4.37Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.02Å
425K94.7Very high92.7Very high38 Ų3836.5 Ų36.517%0.16518%0.177CC..Hα-helixtrans-65.1-37.3-178.2-72.6-62.8-157.7-164.80113L32 V33 D36 M421 G422 A427 L428 C429L32-K425 HydrophobicContact CD2-CB 3.47Å; L32-K425 VanDerWaalsContact CD2-CB 3.47Å; L32-K425 HydrophobicContact CD2-CG 4.48Å; L32-K425 HydrophobicContact CG-CB 3.69Å; L32-K425 HydrophobicContact CG-CD 4.47Å; L32-K425 HydrophobicContact CG-CG 4.18Å; V33-K425 HydrophobicContact CG1-CB 4.4Å; V33-K425 HydrophobicContact CG1-CG 3.97Å; D36-K425 IonicContact OD1-NZ 3.75Å; D36-K425 WeakPolarHBondContact OD2-CE 3.4Å; D36-K425 IonicContact OD2-NZ 3.31Å; D36-K425 PolarHBondContact OD2-NZ 2.79Å; M421-K425 HydrophobicContact CE-CD 3.87Å; M421-K425 HydrophobicContact CE-CG 4.03Å; M421-K425 HydrophobicContact CG-CG 4.42Å; M421-K425 WeakPolarHBondContact O-CB 3.33Å; M421-K425 VanDerWaalsContact O-CG 3.27Å; M421-K425 WeakPolarHBondContact O-CG 3.48Å; M421-K425 PolarHBondContact O-N 3.29Å; G422-K425 PolarHBondContact O-N 2.86Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-A427 PolarHBondContact O-N 3.47Å; K425-L428 PolarHBondContact O-N 3.37Å; K425-L428 VanDerWaalsContact O-N 3.14Å; K425-C429 PolarHBondContact O-N 2.87Å; K425-C429 PolarHBondContact O-SG 2.96Å
426V93Very high92.4Very high43 Ų4336.4 Ų36.426%0.26118%0.181SC..Hα-helixtrans-56.6-45.6173.4166.70000110.3L29 G422 W423 L424 C429 V430L29-V426 HydrophobicContact CD1-CG2 4Å; G422-V426 VanDerWaalsContact O-CG2 3.3Å; G422-V426 WeakPolarHBondContact O-CG2 3.45Å; G422-V426 PolarHBondContact O-N 2.79Å; W423-V426 PolarHBondContact O-N 2.9Å; L424-V426 PolarHBondContact O-N 2.9Å; V426-C429 PolarHBondContact O-SG 3.34Å; V426-V430 VanDerWaalsContact O-CG2 3.23Å; V426-V430 WeakPolarHBondContact O-CG2 3.39Å; V426-V430 PolarHBondContact O-N 3.44Å
427A94Very high92.1Very high0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-67.1-37175.800000112.8F86 V87 I90 W423 L424 K425 M431F86-A427 HydrophobicContact CD1-CB 3.98Å; F86-A427 HydrophobicContact CE1-CB 3.68Å; V87-A427 HydrophobicContact CB-CB 4.19Å; V87-A427 HydrophobicContact CG1-CB 4.22Å; V87-A427 HydrophobicContact CG2-CB 3.66Å; I90-A427 HydrophobicContact CB-CB 4.3Å; I90-A427 HydrophobicContact CG1-CB 4.02Å; I90-A427 WeakPolarHBondContact CG2-O 3.47Å; W423-A427 PolarHBondContact O-N 2.98Å; L424-A427 PolarHBondContact O-N 2.88Å; K425-A427 VanDerWaalsContact C-N 3.29Å; K425-A427 PolarHBondContact O-N 3.47Å; A427-M431 PolarHBondContact O-N 3.05Å
428L92.9Very high91.6Very high56 Ų5641.9 Ų41.929%0.29321%0.209SC..Hα-helixtrans-69.7-38.7179-67176.1000112.8F86 T373 I377 L424 K425 M431F86-L428 HydrophobicContact CZ-CD2 4.4Å; T373-L428 HydrophobicContact CG2-CD2 4.02Å; I377-L428 HydrophobicContact CD1-CD2 4.45Å; L424-L428 HydrophobicContact CD1-CD1 4.11Å; L424-L428 HydrophobicContact CD1-CG 4.16Å; L424-L428 HydrophobicContact CG-CD1 3.94Å; L424-L428 HydrophobicContact CG-CG 4.37Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.02Å; K425-L428 PolarHBondContact O-N 3.37Å; K425-L428 VanDerWaalsContact O-N 3.14Å; L428-M431 HydrophobicContact CD2-CE 4.21Å; L428-M431 WeakPolarHBondContact O-CB 3.28Å; L428-M431 PolarHBondContact O-N 3.47Å
429C89.6Confident91.2Very high28 Ų2844.9 Ų44.919%0.18922%0.222CC..Hα-helixtrans-70.8-34.7179.7670000112.4L32 K425 V426 M431L32-C429 HydrophobicContact CD1-CB 4.48Å; L32-C429 HydrophobicContact CD2-CB 4.23Å; K425-C429 PolarHBondContact O-N 2.87Å; K425-C429 PolarHBondContact O-SG 2.96Å; V426-C429 PolarHBondContact O-SG 3.34Å; C429-M431 VanDerWaalsContact C-N 3.29Å; C429-M431 PolarHBondContact O-N 3.31Å
430V91.1Very high91Very high18 Ų1838 Ų3811%0.10919%0.192CC..THydrogen-bonded Turntrans-82.1-4.3178.8-58.90000114.1I90 I91 W94 V426 N432I90-V430 HydrophobicContact CG2-CG2 3.63Å; I91-V430 HydrophobicContact CD1-CG2 3.75Å; W94-V430 HydrophobicContact CB-CB 4.48Å; W94-V430 HydrophobicContact CG-CB 4.12Å; V426-V430 VanDerWaalsContact O-CG2 3.23Å; V426-V430 WeakPolarHBondContact O-CG2 3.39Å; V426-V430 PolarHBondContact O-N 3.44Å; V430-N432 PolarHBondContact O-N 3.44Å
431M89.6Confident90.9Very high52 Ų5237.6 Ų37.626%0.25619%0.19SC..THydrogen-bonded Turntrans-64.9-29.4-179.1-170.8176.2-71.200112.6F86 I90 T373 A427 L428 C429F86-M431 HydrophobicContact CE2-CE 4.32Å; F86-M431 HydrophobicContact CZ-CE 3.74Å; I90-M431 HydrophobicContact CD1-CE 3.79Å; I90-M431 HydrophobicContact CG1-CE 4.4Å; I90-M431 HydrophobicContact CG2-CB 4.4Å; T373-M431 HydrophobicContact CG2-CE 4.28Å; A427-M431 PolarHBondContact O-N 3.05Å; L428-M431 HydrophobicContact CD2-CE 4.21Å; L428-M431 WeakPolarHBondContact O-CB 3.28Å; L428-M431 PolarHBondContact O-N 3.47Å; C429-M431 VanDerWaalsContact C-N 3.29Å; C429-M431 PolarHBondContact O-N 3.31Å
432N87.3Confident90.8Very high54 Ų5439.3 Ų39.329%0.28920%0.198SC..  trans-126.579176.3176.741.1000110.9R184 V430 F434 G435R184-N432 VanDerWaalsContact CZ-ND2 3.29Å; R184-N432 PolarHBondContact NH1-ND2 3.05Å; R184-N432 PolarHBondContact NH2-ND2 3.4Å; R184-N432 PolarHBondContact NH2-OD1 3.12Å; V430-N432 PolarHBondContact O-N 3.44Å; N432-F434 PolarHBondContact O-N 2.89Å; N432-G435 PolarHBondContact O-N 3.07Å
433P91.5Very high90.7Very high2 Ų239.3 Ų39.31%0.01320%0.197CC..THydrogen-bonded Turntrans-74.43-173.231.9-36.6000114.7M97 D440 F441M97-P433 HydrophobicContact SD-CG 3.55Å; M97-P433 VanDerWaalsContact SD-CG 3.55Å; P433-D440 WeakPolarHBondContact CA-OD1 3.36Å; P433-D440 WeakPolarHBondContact O-CB 3.38Å; P433-F441 HydrophobicContact CB-CD2 3.75Å; P433-F441 HydrophobicContact CB-CE1 4.48Å; P433-F441 HydrophobicContact CB-CE2 3.57Å; P433-F441 HydrophobicContact CB-CG 4.28Å; P433-F441 HydrophobicContact CB-CZ 3.94Å; P433-F441 HydrophobicContact CG-CD2 4.14Å; P433-F441 HydrophobicContact CG-CE2 3.69Å; P433-F441 HydrophobicContact CG-CZ 4.3Å; P433-F441 PolarHBondContact O-N 2.93Å
434F91.9Very high90.6Very high2 Ų234.4 Ų34.41%0.00918%0.184CC..THydrogen-bonded Turntrans-105.214-178.5-65.2-69.3000112.8M97 I101 M142 I145 S146 D147 L360 N432 F441 T443M97-F434 HydrophobicContact CB-CE2 4.39Å; M97-F434 HydrophobicContact SD-CE2 4.07Å; I101-F434 HydrophobicContact CD1-CE1 4.49Å; M142-F434 HydrophobicContact CE-CD1 3.85Å; M142-F434 HydrophobicContact CE-CE1 3.85Å; I145-F434 HydrophobicContact CG2-CB 3.91Å; I145-F434 HydrophobicContact CG2-CD1 4.01Å; I145-F434 HydrophobicContact CG2-CD2 3.49Å; I145-F434 VanDerWaalsContact CG2-CD2 3.49Å; I145-F434 HydrophobicContact CG2-CE1 4.45Å; I145-F434 HydrophobicContact CG2-CE2 3.98Å; I145-F434 HydrophobicContact CG2-CG 3.52Å; I145-F434 HydrophobicContact CG2-CZ 4.45Å; I145-F434 WeakPolarHBondContact O-CB 3.5Å; S146-F434 CarbonylContact C-O 3.59Å; S146-F434 VanDerWaalsContact CA-O 3.24Å; S146-F434 WeakPolarHBondContact CA-O 3.28Å; S146-F434 PolarHBondContact OG-O 3.03Å; D147-F434 PolarHBondContact N-O 3.2Å; L360-F434 HydrophobicContact CD1-CE2 3.98Å; L360-F434 HydrophobicContact CD1-CZ 3.48Å; L360-F434 VanDerWaalsContact CD1-CZ 3.48Å; L360-F434 HydrophobicContact CD2-CE1 4.36Å; L360-F434 HydrophobicContact CD2-CZ 4Å; L360-F434 HydrophobicContact CG-CE2 4.49Å; L360-F434 HydrophobicContact CG-CZ 3.97Å; N432-F434 PolarHBondContact O-N 2.89Å; F434-F441 HydrophobicContact CD1-CD2 4.25Å; F434-F441 AromaticContact CE1-CD2 3.76Å; F434-F441 HydrophobicContact CE1-CD2 3.76Å; F434-F441 HydrophobicContact CE1-CE2 4.42Å; F434-F441 AromaticContact CZ-CD2 3.97Å; F434-F441 HydrophobicContact CZ-CD2 3.97Å; F434-F441 HydrophobicContact CZ-CE2 4.18Å; F434-T443 HydrophobicContact CD1-CG2 3.86Å; F434-T443 HydrophobicContact CE1-CG2 4.26Å
435G87.6Confident90.5Very high3 Ų338.5 Ų38.53%0.03120%0.201CC..SBendtrans-73.9-153.3173.100000113.7Q148 N432 D440Q148-G435 PolarHBondContact NE2-O 2.93Å; N432-G435 PolarHBondContact O-N 3.07Å; G435-D440 WeakPolarHBondContact CA-OD2 3.5Å; G435-D440 PolarHBondContact N-OD2 3.28Å
436D86.2Confident90.6Very high101 Ų10137.6 Ų37.654%0.5420%0.198SC..SBendtrans-123.919-179.8-169.340.5000111.3Q148 D440Q148-D436 HydrophobicContact CG-CB 4.46Å; Q148-D436 WeakPolarHBondContact CG-OD1 3.37Å; D436-D440 PolarHBondContact N-OD2 3.44Å
437D85.6Confident90.7Very high110 Ų11035.6 Ų35.659%0.58819%0.186SC*.SBendtrans-81.8165.8177.6-69.4-37.6000111.6E439 D440D437-E439 PolarHBondContact O-N 3.38Å; D437-D440 WeakPolarHBondContact CB-OD2 3.39Å; D437-D440 PolarHBondContact N-OD2 2.9Å; D437-D440 PolarHBondContact O-N 3.36Å
438D84.7Confident90.9Very high43 Ų4337.9 Ų37.923%0.2320%0.198CC..THydrogen-bonded Turntrans-64-27.1-178.4-70.7-38.7000112.7S2 K31S2-D438 WeakPolarHBondContact CA-O 3.43Å; S2-D438 WeakPolarHBondContact CB-O 3.26Å; K31-D438 IonicContact NZ-OD2 3.83Å; K31-D438 PolarHBondContact NZ-OD2 3.33Å
439E84.3Confident91.1Very high82 Ų8240 Ų4038%0.38320%0.203SC..THydrogen-bonded Turntrans-89.1-10.7-177.5-50.4-48.4134.100113.5G27 D437G27-E439 WeakPolarHBondContact CA-OE1 3.39Å; D437-E439 PolarHBondContact O-N 3.38Å
440D90.8Very high91.4Very high6 Ų638.7 Ų38.73%0.03219%0.194CC..SBendtrans-74.8160.3-176.6-70.5-29.3000112P433 G435 D436 D437 Q442P433-D440 WeakPolarHBondContact CA-OD1 3.36Å; P433-D440 WeakPolarHBondContact O-CB 3.38Å; G435-D440 WeakPolarHBondContact CA-OD2 3.5Å; G435-D440 PolarHBondContact N-OD2 3.28Å; D436-D440 PolarHBondContact N-OD2 3.44Å; D437-D440 WeakPolarHBondContact CB-OD2 3.39Å; D437-D440 PolarHBondContact N-OD2 2.9Å; D437-D440 PolarHBondContact O-N 3.36Å; D440-Q442 PolarHBondContact O-N 3.43Å
441F92.9Very high91.8Very high15 Ų1537.9 Ų37.97%0.06619%0.189CC..  trans-60.2132.8173.4-62.5-37.2000109.9W94 M97 Y98 I101 Q148 P433 F434 T443W94-F441 HydrophobicContact CD2-CE1 4.41Å; W94-F441 HydrophobicContact CD2-CZ 4.25Å; W94-F441 AromaticContact CE2-CE1 3.55Å; W94-F441 AromaticContact CE2-CZ 3.76Å; W94-F441 HydrophobicContact CH2-CE1 4.15Å; W94-F441 HydrophobicContact CZ2-CD1 4.33Å; W94-F441 AromaticContact CZ2-CE1 3.42Å; W94-F441 HydrophobicContact CZ2-CE1 3.42Å; W94-F441 VanDerWaalsContact CZ2-CE1 3.42Å; W94-F441 HydrophobicContact CZ2-CZ 4.09Å; W94-F441 AromaticContact NE1-CE1 3.71Å; W94-F441 AromaticContact NE1-CZ 3.72Å; M97-F441 HydrophobicContact CB-CE2 4.15Å; Y98-F441 HydrophobicContact CD2-CD1 4.31Å; Y98-F441 AromaticContact CD2-CE1 3.81Å; Y98-F441 HydrophobicContact CD2-CE1 3.81Å; Y98-F441 HydrophobicContact CD2-CZ 4.22Å; Y98-F441 HydrophobicContact CG-CE1 4.34Å; Y98-F441 HydrophobicContact CG-CZ 4.41Å; I101-F441 HydrophobicContact CD1-CD2 3.75Å; I101-F441 HydrophobicContact CD1-CE2 4.11Å; I101-F441 HydrophobicContact CD1-CG 4.13Å; Q148-F441 PolarHBondContact NE2-O 3Å; P433-F441 HydrophobicContact CB-CD2 3.75Å; P433-F441 HydrophobicContact CB-CE1 4.48Å; P433-F441 HydrophobicContact CB-CE2 3.57Å; P433-F441 HydrophobicContact CB-CG 4.28Å; P433-F441 HydrophobicContact CB-CZ 3.94Å; P433-F441 HydrophobicContact CG-CD2 4.14Å; P433-F441 HydrophobicContact CG-CE2 3.69Å; P433-F441 HydrophobicContact CG-CZ 4.3Å; P433-F441 PolarHBondContact O-N 2.93Å; F434-F441 HydrophobicContact CD1-CD2 4.25Å; F434-F441 AromaticContact CE1-CD2 3.76Å; F434-F441 HydrophobicContact CE1-CD2 3.76Å; F434-F441 HydrophobicContact CE1-CE2 4.42Å; F434-F441 AromaticContact CZ-CD2 3.97Å; F434-F441 HydrophobicContact CZ-CD2 3.97Å; F434-F441 HydrophobicContact CZ-CE2 4.18Å; F441-T443 HydrophobicContact CB-CG2 4.05Å; F441-T443 PolarHBondContact O-N 3.07Å
442Q92.6Very high92.1Very high38 Ų3837.2 Ų37.218%0.17819%0.186CC..  trans-75.962.9176.4-60.3-175.87.400110.7S2 D440 S444 K445 I446S2-Q442 PolarHBondContact O-NE2 3.01Å; S2-Q442 PolarHBondContact OG-NE2 3.35Å; D440-Q442 PolarHBondContact O-N 3.43Å; Q442-S444 PolarHBondContact O-N 2.63Å; Q442-K445 HydrophobicContact CB-CB 4.21Å; Q442-K445 HydrophobicContact CB-CG 4.31Å; Q442-K445 PolarHBondContact O-N 3.19Å; Q442-I446 WeakPolarHBondContact O-CG1 3.38Å; Q442-I446 PolarHBondContact O-N 2.85Å
443T93.8Very high92.5Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-59.4-33.5-171.858.80000112.5M142 S146 Q148 F434 F441 K445 I446 L447M142-T443 HydrophobicContact CE-CG2 3.41Å; M142-T443 VanDerWaalsContact CE-CG2 3.41Å; S146-T443 WeakPolarHBondContact OG-CG2 3.41Å; S146-T443 PolarHBondContact OG-OG1 3.07Å; Q148-T443 WeakPolarHBondContact CB-OG1 3.28Å; F434-T443 HydrophobicContact CD1-CG2 3.86Å; F434-T443 HydrophobicContact CE1-CG2 4.26Å; F441-T443 HydrophobicContact CB-CG2 4.05Å; F441-T443 PolarHBondContact O-N 3.07Å; T443-K445 VanDerWaalsContact C-N 3.33Å; T443-K445 PolarHBondContact O-N 3.06Å; T443-I446 PolarHBondContact O-N 3.48Å; T443-L447 WeakPolarHBondContact O-CB 3.33Å; T443-L447 PolarHBondContact O-N 3Å
444S93Very high92.7Very high32 Ų3235.6 Ų35.622%0.22418%0.179CC..Hα-helixtrans-61.4-40.8173.9-174.30000112.2R152 Q442 L447 D448R152-S444 PolarHBondContact NH1-O 3.48Å; R152-S444 VanDerWaalsContact NH1-O 3.09Å; R152-S444 PolarHBondContact NH1-OG 3.39Å; Q442-S444 PolarHBondContact O-N 2.63Å; S444-L447 WeakPolarHBondContact O-CB 3.21Å; S444-L447 PolarHBondContact O-N 3.33Å; S444-D448 VanDerWaalsContact O-CG 3.26Å; S444-D448 PolarHBondContact O-N 3.27Å
445K94.4Very high93Very high86 Ų8638.7 Ų38.737%0.37419%0.191SC..Hα-helixtrans-74.4-35.2177.4-63.6-157.1-162.8157.70112.5M1 Q442 T443 L447 D448 Y449M1-K445 PolarHBondContact SD-NZ 2.8Å; Q442-K445 HydrophobicContact CB-CB 4.21Å; Q442-K445 HydrophobicContact CB-CG 4.31Å; Q442-K445 PolarHBondContact O-N 3.19Å; T443-K445 VanDerWaalsContact C-N 3.33Å; T443-K445 PolarHBondContact O-N 3.06Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 3.12Å; K445-D448 PolarHBondContact O-N 2.66Å; K445-Y449 WeakPolarHBondContact O-CB 3.36Å; K445-Y449 PolarHBondContact O-N 2.85Å
446I95.9Very high93.3Very high19 Ų1946.1 Ų46.110%0.09722%0.218CC..Hα-helixtrans-61-41.7173-64.8168.3000109.5I101 W103 W138 Q442 T443 Y449 N450I101-I446 HydrophobicContact CD1-CD1 4.18Å; I101-I446 HydrophobicContact CG2-CD1 4.41Å; I101-I446 HydrophobicContact CG2-CG2 3.95Å; W103-I446 HydrophobicContact CH2-CG1 4.22Å; W103-I446 HydrophobicContact CZ3-CG2 4.39Å; W138-I446 HydrophobicContact CZ2-CG2 4.25Å; Q442-I446 WeakPolarHBondContact O-CG1 3.38Å; Q442-I446 PolarHBondContact O-N 2.85Å; T443-I446 PolarHBondContact O-N 3.48Å; I446-Y449 PolarHBondContact O-N 3.14Å; I446-N450 VanDerWaalsContact O-CB 3.31Å; I446-N450 WeakPolarHBondContact O-CB 3.47Å; I446-N450 PolarHBondContact O-N 3.36Å
447L95.8Very high93.6Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-61.5-46.3172.5174.961.2000111.7V139 I149 F153 T443 S444 K445 Y449 N450 L451V139-L447 HydrophobicContact CG2-CD1 3.43Å; V139-L447 VanDerWaalsContact CG2-CD1 3.43Å; V139-L447 HydrophobicContact CG2-CD2 3.95Å; V139-L447 HydrophobicContact CG2-CG 4.36Å; I149-L447 HydrophobicContact CD1-CB 4.37Å; I149-L447 HydrophobicContact CD1-CD2 4.49Å; F153-L447 HydrophobicContact CE2-CD2 3.7Å; F153-L447 HydrophobicContact CZ-CD2 3.88Å; T443-L447 WeakPolarHBondContact O-CB 3.33Å; T443-L447 PolarHBondContact O-N 3Å; S444-L447 WeakPolarHBondContact O-CB 3.21Å; S444-L447 PolarHBondContact O-N 3.33Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 3.12Å; L447-Y449 VanDerWaalsContact C-N 3.31Å; L447-Y449 PolarHBondContact O-N 3.21Å; L447-N450 PolarHBondContact O-N 3.25Å; L447-L451 HydrophobicContact CD1-CD1 3.97Å; L447-L451 HydrophobicContact CD1-CG 3.95Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.41Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 3.47Å
448D96.7Very high94Very high48 Ų4837.1 Ų37.126%0.25717%0.172SC..Hα-helixtrans-60-42.9178.7-67-25.9000112.3R152 K281 S444 K445 D452R152-D448 IonicContact CZ-OD1 3.71Å; R152-D448 IonicContact NH1-OD1 2.72Å; R152-D448 PolarHBondContact NH1-OD1 3.25Å; R152-D448 IonicContact NH1-OD2 3.13Å; R152-D448 IonicContact NH2-OD1 2.72Å; R152-D448 PolarHBondContact NH2-OD1 3.38Å; K281-D448 WeakPolarHBondContact CB-OD1 3.46Å; K281-D448 HydrophobicContact CD-CB 4.44Å; K281-D448 VanDerWaalsContact CE-O 3.23Å; K281-D448 WeakPolarHBondContact CE-O 3.37Å; K281-D448 HydrophobicContact CG-CB 4.1Å; K281-D448 WeakPolarHBondContact CG-OD1 3.15Å; S444-D448 VanDerWaalsContact O-CG 3.26Å; S444-D448 PolarHBondContact O-N 3.27Å; K445-D448 PolarHBondContact O-N 2.66Å; D448-D452 WeakPolarHBondContact O-CB 3.36Å; D448-D452 PolarHBondContact O-N 3.01Å
449Y97.3Very high94.3Very high102 Ų10238.4 Ų38.440%0.418%0.175SC..Hα-helixtrans-62.5-49.9174.8175.7-94.4000111.4W103 N105 K445 I446 L447 L451 D452 V453W103-Y449 AromaticContact CE3-CD1 3.66Å; W103-Y449 HydrophobicContact CE3-CD1 3.66Å; W103-Y449 AromaticContact CE3-CE1 3.6Å; W103-Y449 HydrophobicContact CE3-CE1 3.6Å; W103-Y449 AromaticContact CZ3-CD1 3.67Å; W103-Y449 HydrophobicContact CZ3-CD1 3.67Å; W103-Y449 AromaticContact CZ3-CE1 3.89Å; W103-Y449 HydrophobicContact CZ3-CE1 3.89Å; W103-Y449 HydrophobicContact CZ3-CG 4.38Å; N105-Y449 PolarHBondContact ND2-OH 3.22Å; N105-Y449 WeakPolarHBondContact OD1-CE1 3.09Å; N105-Y449 PolarHBondContact OD1-OH 3.47Å; K445-Y449 WeakPolarHBondContact O-CB 3.36Å; K445-Y449 PolarHBondContact O-N 2.85Å; I446-Y449 PolarHBondContact O-N 3.14Å; L447-Y449 VanDerWaalsContact C-N 3.31Å; L447-Y449 PolarHBondContact O-N 3.21Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.86Å; Y449-D452 PolarHBondContact O-N 3.1Å; Y449-D452 VanDerWaalsContact O-N 3.17Å; Y449-V453 HydrophobicContact CD1-CG1 4.37Å; Y449-V453 HydrophobicContact CE1-CG1 4.1Å; Y449-V453 WeakPolarHBondContact O-CG1 3.49Å; Y449-V453 PolarHBondContact O-N 3.29Å
450N97.5Very high94.4Very high0 Ų038.6 Ų38.60%018%0.177CC..Hα-helixtrans-59.9-42.1179.7-84.5-16.5000111.5P102 M104 I446 L447 S454P102-N450 PolarHBondContact O-ND2 2.87Å; P102-N450 VanDerWaalsContact O-ND2 3.12Å; M104-N450 HydrophobicContact CB-CB 4.29Å; M104-N450 HydrophobicContact CG-CB 3.84Å; M104-N450 PolarHBondContact N-OD1 3.25Å; I446-N450 VanDerWaalsContact O-CB 3.31Å; I446-N450 WeakPolarHBondContact O-CB 3.47Å; I446-N450 PolarHBondContact O-N 3.36Å; L447-N450 PolarHBondContact O-N 3.25Å; N450-S454 WeakPolarHBondContact O-CB 3.48Å; N450-S454 PolarHBondContact O-N 3.45Å; N450-S454 PolarHBondContact O-OG 3.35Å
451L97.6Very high94.1Very high0 Ų042 Ų420%020%0.195CC..Hα-helixtrans-62.4-45.1175.2-72.8169.5000111.9N135 K281 V282 F286 L289 L447 Y449 Y455N135-L451 HydrophobicContact CB-CD2 3.81Å; K281-L451 HydrophobicContact CB-CD1 4.3Å; K281-L451 HydrophobicContact CG-CB 4.36Å; K281-L451 HydrophobicContact CG-CD1 3.97Å; V282-L451 HydrophobicContact CG2-CD1 3.94Å; F286-L451 HydrophobicContact CD2-CD2 4.07Å; F286-L451 HydrophobicContact CE2-CD2 4.07Å; L289-L451 HydrophobicContact CD1-CD2 4.36Å; L447-L451 HydrophobicContact CD1-CD1 3.97Å; L447-L451 HydrophobicContact CD1-CG 3.95Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.41Å; L447-L451 WeakPolarHBondContact O-CB 3.41Å; L447-L451 WeakPolarHBondContact O-CG 3.38Å; L447-L451 PolarHBondContact O-N 3.47Å; Y449-L451 VanDerWaalsContact C-N 3.33Å; Y449-L451 PolarHBondContact O-N 2.86Å; L451-Y455 WeakPolarHBondContact O-CB 3.27Å; L451-Y455 PolarHBondContact O-N 3.47Å; L451-Y455 VanDerWaalsContact O-N 3.13Å
452D96.3Very high93.5Very high38 Ų3844.5 Ų44.520%0.20321%0.213CC..Hα-helixtrans-64.7-52.6-178-163.869.5000112.1K281 D448 Y449 S454 Y455 R456K281-D452 IonicContact NZ-OD1 3.63Å; K281-D452 PolarHBondContact NZ-OD1 2.99Å; D448-D452 WeakPolarHBondContact O-CB 3.36Å; D448-D452 PolarHBondContact O-N 3.01Å; Y449-D452 PolarHBondContact O-N 3.1Å; Y449-D452 VanDerWaalsContact O-N 3.17Å; D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 3.06Å; D452-Y455 PolarHBondContact O-N 3.33Å; D452-R456 VanDerWaalsContact CG-NE 3.31Å; D452-R456 WeakPolarHBondContact O-CB 3.47Å; D452-R456 VanDerWaalsContact O-CG 3.28Å; D452-R456 WeakPolarHBondContact O-CG 3.18Å; D452-R456 PolarHBondContact O-N 3.4Å; D452-R456 IonicContact OD1-CZ 3.04Å; D452-R456 IonicContact OD1-NE 2.8Å; D452-R456 PolarHBondContact OD1-NE 3.42Å; D452-R456 IonicContact OD1-NH2 3.69Å; D452-R456 WeakPolarHBondContact OD2-CD 3.35Å; D452-R456 IonicContact OD2-CZ 3.65Å; D452-R456 VanDerWaalsContact OD2-CZ 3.23Å; D452-R456 IonicContact OD2-NE 3.63Å; D452-R456 PolarHBondContact OD2-NE 3.47Å; D452-R456 IonicContact OD2-NH1 3.86Å; D452-R456 IonicContact OD2-NH2 3.52Å
453V96Very high93Very high23 Ų2349.6 Ų49.614%0.13924%0.241CC..Hα-helixtrans-66.7-38.7-178.971.90000111.4M104 N105 Y449 Y455 R456 S457M104-V453 HydrophobicContact CB-CG1 4.32Å; N105-V453 VanDerWaalsContact OD1-CG1 3.26Å; N105-V453 WeakPolarHBondContact OD1-CG1 3.38Å; N105-V453 WeakPolarHBondContact OD1-CG2 3.22Å; Y449-V453 HydrophobicContact CD1-CG1 4.37Å; Y449-V453 HydrophobicContact CE1-CG1 4.1Å; Y449-V453 WeakPolarHBondContact O-CG1 3.49Å; Y449-V453 PolarHBondContact O-N 3.29Å; V453-Y455 VanDerWaalsContact C-N 3.3Å; V453-Y455 PolarHBondContact O-N 2.93Å; V453-R456 PolarHBondContact O-N 3.36Å; V453-S457 WeakPolarHBondContact O-CB 3.49Å; V453-S457 PolarHBondContact O-N 3.28Å; V453-S457 PolarHBondContact O-OG 3.04Å
454S97Very high92.7Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-59.7-42.4177-660000112.2M104 M131 N135 N450 D452 V458M104-S454 WeakPolarHBondContact CB-OG 3.46Å; M131-S454 VanDerWaalsContact CE-CB 3.47Å; M131-S454 WeakPolarHBondContact CE-OG 3.23Å; N135-S454 WeakPolarHBondContact ND2-CB 3.46Å; N135-S454 PolarHBondContact ND2-OG 3.44Å; N450-S454 WeakPolarHBondContact O-CB 3.48Å; N450-S454 PolarHBondContact O-N 3.45Å; N450-S454 PolarHBondContact O-OG 3.35Å; D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 3.06Å; S454-V458 WeakPolarHBondContact O-CG2 3.34Å
455Y96.6Very high92.3Very high66 Ų6655.1 Ų55.126%0.25927%0.274SS..Hα-helixtrans-71.4-52.6177.8176-102.5000111.2L128 S285 F286 L451 D452 V453 S457 V458 F459L128-Y455 HydrophobicContact CD2-CD2 3.71Å; L128-Y455 HydrophobicContact CD2-CE2 3.91Å; S285-Y455 WeakPolarHBondContact O-CD2 3.49Å; S285-Y455 WeakPolarHBondContact O-CE2 3.16Å; F286-Y455 HydrophobicContact CD1-CD2 4.34Å; F286-Y455 HydrophobicContact CE1-CD2 4.4Å; L451-Y455 WeakPolarHBondContact O-CB 3.27Å; L451-Y455 PolarHBondContact O-N 3.47Å; L451-Y455 VanDerWaalsContact O-N 3.13Å; D452-Y455 PolarHBondContact O-N 3.33Å; V453-Y455 VanDerWaalsContact C-N 3.3Å; V453-Y455 PolarHBondContact O-N 2.93Å; Y455-S457 PolarHBondContact O-N 2.85Å; Y455-V458 PolarHBondContact O-N 3.15Å; Y455-F459 HydrophobicContact CE1-CB 4.38Å; Y455-F459 HydrophobicContact CE1-CD1 4.47Å; Y455-F459 HydrophobicContact CE1-CG 4.35Å; Y455-F459 HydrophobicContact CE2-CB 4.25Å; Y455-F459 HydrophobicContact CE2-CD2 4.28Å; Y455-F459 HydrophobicContact CE2-CG 4.3Å; Y455-F459 AromaticContact CZ-CG 3.93Å; Y455-F459 WeakPolarHBondContact O-CB 3.33Å; Y455-F459 PolarHBondContact O-N 3.39Å
456R94.9Very high92Very high159 Ų15954.4 Ų54.460%0.628%0.278SS*.Hα-helixtrans-61.8-44.6-175.3-70.3176.3-179.6-148.7-0.8112.6D452 V453 V458 M460D452-R456 VanDerWaalsContact CG-NE 3.31Å; D452-R456 WeakPolarHBondContact O-CB 3.47Å; D452-R456 VanDerWaalsContact O-CG 3.28Å; D452-R456 WeakPolarHBondContact O-CG 3.18Å; D452-R456 PolarHBondContact O-N 3.4Å; D452-R456 IonicContact OD1-CZ 3.04Å; D452-R456 IonicContact OD1-NE 2.8Å; D452-R456 PolarHBondContact OD1-NE 3.42Å; D452-R456 IonicContact OD1-NH2 3.69Å; D452-R456 WeakPolarHBondContact OD2-CD 3.35Å; D452-R456 IonicContact OD2-CZ 3.65Å; D452-R456 VanDerWaalsContact OD2-CZ 3.23Å; D452-R456 IonicContact OD2-NE 3.63Å; D452-R456 PolarHBondContact OD2-NE 3.47Å; D452-R456 IonicContact OD2-NH1 3.86Å; D452-R456 IonicContact OD2-NH2 3.52Å; V453-R456 PolarHBondContact O-N 3.36Å; R456-V458 VanDerWaalsContact C-N 3.32Å; R456-V458 PolarHBondContact O-N 3.37Å; R456-M460 WeakPolarHBondContact O-CA 3.41Å; R456-M460 PolarHBondContact O-N 2.84Å
457S92.9Very high91.2Very high22 Ų2261.5 Ų61.515%0.15431%0.311CS..Hα-helixtrans-64.8-33.1-177.9-65.30000113.3A112 V453 Y455A112-S457 WeakPolarHBondContact CB-O 3.4Å; V453-S457 WeakPolarHBondContact O-CB 3.49Å; V453-S457 PolarHBondContact O-N 3.28Å; V453-S457 PolarHBondContact O-OG 3.04Å; Y455-S457 PolarHBondContact O-N 2.85Å
458V93.3Very high90.4Very high1 Ų166.1 Ų66.11%0.00634%0.335CS..Hα-helixtrans-96-24.4-178.1-58.60000114.4A108 I111 R127 L128 M131 S454 Y455 R456A108-V458 HydrophobicContact CB-CG1 4.45Å; I111-V458 HydrophobicContact CG2-CG1 4.31Å; R127-V458 HydrophobicContact CB-CB 3.77Å; R127-V458 HydrophobicContact CB-CG1 4.1Å; R127-V458 HydrophobicContact CB-CG2 4.44Å; R127-V458 PolarHBondContact NE-O 2.91Å; R127-V458 VanDerWaalsContact NE-O 3.15Å; R127-V458 PolarHBondContact NH2-O 3.26Å; L128-V458 HydrophobicContact CD2-CG2 3.64Å; L128-V458 HydrophobicContact CG-CG2 4.02Å; M131-V458 HydrophobicContact CG-CB 4.47Å; M131-V458 HydrophobicContact CG-CG1 3.49Å; M131-V458 VanDerWaalsContact CG-CG1 3.49Å; M131-V458 HydrophobicContact CG-CG2 4.26Å; S454-V458 WeakPolarHBondContact O-CG2 3.34Å; Y455-V458 PolarHBondContact O-N 3.15Å; R456-V458 VanDerWaalsContact C-N 3.32Å; R456-V458 PolarHBondContact O-N 3.37Å
459F91.1Very high89.7Confident69 Ų6966.7 Ų66.730%0.30334%0.338SS..Hα-helixtrans-80.9-33.8176.2-177.9-95.9000112.5L128 Y455L128-F459 HydrophobicContact CD1-CD2 4.44Å; L128-F459 HydrophobicContact CD2-CB 4.43Å; Y455-F459 HydrophobicContact CE1-CB 4.38Å; Y455-F459 HydrophobicContact CE1-CD1 4.47Å; Y455-F459 HydrophobicContact CE1-CG 4.35Å; Y455-F459 HydrophobicContact CE2-CB 4.25Å; Y455-F459 HydrophobicContact CE2-CD2 4.28Å; Y455-F459 HydrophobicContact CE2-CG 4.3Å; Y455-F459 AromaticContact CZ-CG 3.93Å; Y455-F459 WeakPolarHBondContact O-CB 3.33Å; Y455-F459 PolarHBondContact O-N 3.39Å
460M85.4Confident88.8Confident86 Ų8664.7 Ų64.742%0.42434%0.339SS..  trans-4.5115.5-169.5-164.3147.386.700115R456 A464 F465R456-M460 WeakPolarHBondContact O-CA 3.41Å; R456-M460 PolarHBondContact O-N 2.84Å; M460-A464 HydrophobicContact CG-CB 3.92Å; M460-F465 HydrophobicContact CE-CD1 4.3Å; M460-F465 HydrophobicContact CE-CE1 3.43Å; M460-F465 VanDerWaalsContact CE-CE1 3.43Å; M460-F465 HydrophobicContact CE-CE2 3.72Å; M460-F465 HydrophobicContact CE-CZ 3.11Å; M460-F465 HydrophobicContact CG-CE2 4.18Å; M460-F465 HydrophobicContact CG-CZ 4.46Å
461D84.2Confident87.9Confident78 Ų7867 Ų6742%0.41736%0.355SS..  trans-54.3132.9-178.7-157.1-46.4000110.6D463 A464D461-D463 PolarHBondContact O-N 3.28Å; D461-D463 VanDerWaalsContact O-N 3.15Å; D461-D463 PolarHBondContact OD1-N 2.92Å; D461-A464 HydrophobicContact CB-CB 4.5Å; D461-A464 WeakPolarHBondContact O-CB 3.35Å; D461-A464 PolarHBondContact O-N 2.84Å
462P80.3Confident86.9Confident68 Ų6870.7 Ų70.744%0.44238%0.379SS..G310 helixtrans-47.8-34.6168.9-30.336.6000113.6A464 F465P462-A464 PolarHBondContact O-N 3.4Å; P462-F465 PolarHBondContact O-N 2.82Å; P462-F465 VanDerWaalsContact O-N 3.17Å
463D83.1Confident85.7Confident144 Ų14472.3 Ų72.377%0.7739%0.386SS*.G310 helixtrans-69.2-13.6178.1-64-14.8000113.3D461D461-D463 PolarHBondContact O-N 3.28Å; D461-D463 VanDerWaalsContact O-N 3.15Å; D461-D463 PolarHBondContact OD1-N 2.92Å
464A86.7Confident84.2Confident65 Ų6572 Ų7254%0.53739%0.388SS..G310 helixtrans-77.3-12.417500000112.8M460 D461 P462M460-A464 HydrophobicContact CG-CB 3.92Å; D461-A464 HydrophobicContact CB-CB 4.5Å; D461-A464 WeakPolarHBondContact O-CB 3.35Å; D461-A464 PolarHBondContact O-N 2.84Å; P462-A464 PolarHBondContact O-N 3.4Å
465F85.9Confident82.5Confident83 Ų8382.2 Ų82.236%0.36443%0.432SS..SBendtrans-91.3149174-63.3-87.3000110.5M460 P462 L469M460-F465 HydrophobicContact CE-CD1 4.3Å; M460-F465 HydrophobicContact CE-CE1 3.43Å; M460-F465 VanDerWaalsContact CE-CE1 3.43Å; M460-F465 HydrophobicContact CE-CE2 3.72Å; M460-F465 HydrophobicContact CE-CZ 3.11Å; M460-F465 HydrophobicContact CG-CE2 4.18Å; M460-F465 HydrophobicContact CG-CZ 4.46Å; P462-F465 PolarHBondContact O-N 2.82Å; P462-F465 VanDerWaalsContact O-N 3.17Å; F465-L469 HydrophobicContact CD1-CD2 4.3Å
466P86.6Confident80.5Confident72 Ų7285.4 Ų85.447%0.46845%0.447SS..PPolyproline II helixtrans-53.5148.2172.5-25.834.6000112.5L469 F489P466-L469 HydrophobicContact CB-CB 4.43Å; P466-L469 WeakPolarHBondContact O-CB 3.39Å; P466-L469 PolarHBondContact O-N 3.42Å; P466-L469 VanDerWaalsContact O-N 3.15Å; P466-F489 HydrophobicContact CB-CE2 3.87Å; P466-F489 HydrophobicContact CB-CZ 4.33Å; P466-F489 HydrophobicContact CG-CE2 4.49Å; P466-F489 HydrophobicContact CG-CZ 4.46Å
467E80.1Confident78.4Confident168 Ų16887.3 Ų87.379%0.78546%0.46SS*.THydrogen-bonded Turntrans-54.6143170.3-63.2-178.1-17600109.8L469E467-L469 PolarHBondContact O-N 2.9Å
468N78.5Confident76.2Confident96 Ų9691.5 Ų91.551%0.51349%0.489SS..THydrogen-bonded Turntrans69.1-2.2-176.1-48.7-40.8000116.6S470 Q492N468-S470 PolarHBondContact O-N 3.06Å; N468-Q492 PolarHBondContact ND2-OE1 3.02Å
469L83Confident74.3Confident61 Ų6198.6 Ų98.632%0.31953%0.527SS..  trans-90.193.6169.7-174.264.7000110.2F465 P466 E467 F489F465-L469 HydrophobicContact CD1-CD2 4.3Å; P466-L469 HydrophobicContact CB-CB 4.43Å; P466-L469 WeakPolarHBondContact O-CB 3.39Å; P466-L469 PolarHBondContact O-N 3.42Å; P466-L469 VanDerWaalsContact O-N 3.15Å; E467-L469 PolarHBondContact O-N 2.9Å; L469-F489 HydrophobicContact CB-CD2 4.23Å; L469-F489 HydrophobicContact CB-CE2 4.1Å; L469-F489 HydrophobicContact CB-CZ 4.37Å; L469-F489 HydrophobicContact CD1-CD1 4.09Å; L469-F489 HydrophobicContact CD1-CE1 4.13Å; L469-F489 HydrophobicContact CD1-CG 4.44Å
470S78.5Confident72.4Confident60 Ų60101.1 Ų101.142%0.4254%0.544SS..  trans-77.2161.9-178.587.50000112.4N468 D484N468-S470 PolarHBondContact O-N 3.06Å; S470-D484 WeakPolarHBondContact OG-CB 3.35Å; S470-D484 PolarHBondContact OG-OD1 3.17Å
471S78Confident70.5Confident48 Ų48104.6 Ų104.634%0.33656%0.564SS.*  trans-64.7139175.4-69.30000110.3M473S471-M473 WeakPolarHBondContact O-CG 3.21Å; S471-M473 PolarHBondContact O-N 2.95Å
472P75.8Confident69.1Low77 Ų77109.3 Ų109.350%0.558%0.584SS.*  trans-70.381.4176.530.4-36.6000109.7N116N116-P472 HydrophobicContact CB-CG 4.24Å; N116-P472 WeakPolarHBondContact ND2-CG 3.26Å
473M71.7Confident67.9Low73 Ų73110.5 Ų110.536%0.3659%0.594SS.*  trans-81.4137.8175.4-63.1-78.2-69.800107.7K118 E120 S471K118-M473 WeakPolarHBondContact O-CE 3.03Å; E120-M473 HydrophobicContact CB-SD 4.37Å; S471-M473 WeakPolarHBondContact O-CG 3.21Å; S471-M473 PolarHBondContact O-N 2.95Å
474G65.5Low67Low17 Ų17107.1 Ų107.118%0.17558%0.575CS.*  trans-59.4167.5175.700000111.1A117 D338 K476A117-G474 PolarHBondContact O-N 2.76Å; D338-G474 WeakPolarHBondContact OD2-CA 3.25Å; G474-K476 PolarHBondContact O-N 3.45Å
475K59.5Low66.5Low214 Ų214107.9 Ų107.993%0.9357%0.571SS**  trans-48.1100.8-178-67.4-177.7179.8-179.60110.8K477K475-K477 PolarHBondContact O-N 3.35Å
476K54.9Low66.4Low132 Ų132108.1 Ų108.157%0.57458%0.575SS**  trans-57.5127.7170-74.4-176.2179.6175.90106.9G474 S478G474-K476 PolarHBondContact O-N 3.45Å; K476-S478 PolarHBondContact O-N 3.31Å
477K51Low66.3Low200 Ų200111.1 Ų111.187%0.8759%0.587SS**  trans-66.3106.8169.9-72.5-177.1176.8-178.90107.4K475K475-K477 PolarHBondContact O-N 3.35Å
478S47.2Very low66.7Low109 Ų109109.2 Ų109.276%0.76258%0.576SS**SBendtrans37.193.1152.558.70000116.9K476K476-S478 PolarHBondContact O-N 3.31Å
479D52.8Low67.1Low150 Ų150106.1 Ų106.180%0.80256%0.558SS**SBend173.5-13.3117-130.30.7000112.3N481D479-N481 PolarHBondContact O-N 3.3Å
480D52Low67.4Low122 Ų122106.9 Ų106.965%0.65256%0.562SS**  trans-87.194.7176.5-63.2-28000110.5E482D480-E482 PolarHBondContact O-N 3.32Å
481N46.3Very low68Low160 Ų160108.2 Ų108.286%0.85656%0.564SS**  trans-66.412.6175.2-90.5-17000115.1D479 S483D479-N481 PolarHBondContact O-N 3.3Å; N481-S483 PolarHBondContact O-N 3.24Å
482E54Low68.5Low177 Ų177108.9 Ų108.983%0.82756%0.562SS**  trans-76.864.9159.8-78.5-174.8162.800108.7D480 D484D480-E482 PolarHBondContact O-N 3.32Å; E482-D484 PolarHBondContact O-N 3.39Å
483S55.8Low69.2Low93 Ų93107.4 Ų107.465%0.6555%0.551SS**  trans-58.1125.8162.354.50000107.3N481 D485N481-S483 PolarHBondContact O-N 3.24Å; S483-D485 PolarHBondContact O-N 3.46Å
484D63.1Low70.1Confident72 Ų72108.8 Ų108.839%0.38556%0.56SS.*  trans-40.8100.4166.7-177.729.4000109.7S470 E482 L486S470-D484 WeakPolarHBondContact OG-CB 3.35Å; S470-D484 PolarHBondContact OG-OD1 3.17Å; E482-D484 PolarHBondContact O-N 3.39Å; D484-L486 PolarHBondContact O-N 3.39Å
485D75.8Confident71.3Confident81 Ų81112.9 Ų112.943%0.43358%0.575SS.*  trans-84.465.1-173-165.4-6.3000108.7S483 L487 K488 F489S483-D485 PolarHBondContact O-N 3.46Å; D485-L487 PolarHBondContact O-N 2.85Å; D485-K488 HydrophobicContact CB-CB 3.84Å; D485-K488 HydrophobicContact CB-CD 4.32Å; D485-K488 WeakPolarHBondContact O-CB 3.44Å; D485-K488 PolarHBondContact O-N 3.15Å; D485-K488 WeakPolarHBondContact OD1-CB 3.2Å; D485-K488 PolarHBondContact OD1-N 3.02Å; D485-K488 WeakPolarHBondContact OD2-CB 3.49Å; D485-K488 WeakPolarHBondContact OD2-CD 3.49Å; D485-F489 PolarHBondContact O-N 2.97Å
486L83.9Confident72.7Confident88 Ų88107.5 Ų107.546%0.46155%0.553SS.*Hα-helixtrans-49.7-39175.6173.663.6000110.8D484 F489 L490D484-L486 PolarHBondContact O-N 3.39Å; L486-F489 PolarHBondContact O-N 2.87Å; L486-L490 HydrophobicContact CD1-CD1 4.23Å; L486-L490 HydrophobicContact CD1-CG 4.27Å; L486-L490 HydrophobicContact CG-CD1 4.12Å; L486-L490 VanDerWaalsContact O-CG 3.24Å; L486-L490 WeakPolarHBondContact O-CG 3.47Å; L486-L490 PolarHBondContact O-N 2.96Å
487L85.7Confident74.3Confident135 Ų135106.1 Ų106.171%0.70755%0.551SS**Hα-helixtrans-66-42.5179.3-68.9178.2000111.7D485 L490 D491D485-L487 PolarHBondContact O-N 2.85Å; L487-L490 PolarHBondContact O-N 3.23Å; L487-D491 WeakPolarHBondContact O-CB 3.49Å; L487-D491 PolarHBondContact O-N 2.99Å
488K86.9Confident76.1Confident128 Ų12898.6 Ų98.656%0.55753%0.526SS*.Hα-helixtrans-65.5-38.7173.9177.7-177.2179.8-173.30113D485 L490 D491 Q492D485-K488 HydrophobicContact CB-CB 3.84Å; D485-K488 HydrophobicContact CB-CD 4.32Å; D485-K488 WeakPolarHBondContact O-CB 3.44Å; D485-K488 PolarHBondContact O-N 3.15Å; D485-K488 WeakPolarHBondContact OD1-CB 3.2Å; D485-K488 PolarHBondContact OD1-N 3.02Å; D485-K488 WeakPolarHBondContact OD2-CB 3.49Å; D485-K488 WeakPolarHBondContact OD2-CD 3.49Å; K488-L490 VanDerWaalsContact C-N 3.32Å; K488-D491 PolarHBondContact O-N 2.88Å; K488-Q492 WeakPolarHBondContact O-CB 3.47Å; K488-Q492 PolarHBondContact O-N 3Å
489F88Confident78.1Confident32 Ų3298.5 Ų98.514%0.1451%0.513CS..Hα-helixtrans-59.2-46.3172.3168.8-101.5000110.9P466 L469 D485 L486 Q492 V493P466-F489 HydrophobicContact CB-CE2 3.87Å; P466-F489 HydrophobicContact CB-CZ 4.33Å; P466-F489 HydrophobicContact CG-CE2 4.49Å; P466-F489 HydrophobicContact CG-CZ 4.46Å; L469-F489 HydrophobicContact CB-CD2 4.23Å; L469-F489 HydrophobicContact CB-CE2 4.1Å; L469-F489 HydrophobicContact CB-CZ 4.37Å; L469-F489 HydrophobicContact CD1-CD1 4.09Å; L469-F489 HydrophobicContact CD1-CE1 4.13Å; L469-F489 HydrophobicContact CD1-CG 4.44Å; D485-F489 PolarHBondContact O-N 2.97Å; L486-F489 PolarHBondContact O-N 2.87Å; F489-Q492 WeakPolarHBondContact O-CB 3.38Å; F489-Q492 PolarHBondContact O-N 2.77Å; F489-V493 HydrophobicContact CE1-CG2 4.17Å; F489-V493 HydrophobicContact CE2-CG2 4.02Å; F489-V493 HydrophobicContact CZ-CG2 3.82Å; F489-V493 WeakPolarHBondContact O-CG2 3.47Å; F489-V493 PolarHBondContact O-N 3.17Å; F489-V493 VanDerWaalsContact O-N 3.07Å
490L89.8Confident79.5Confident77 Ų7796.1 Ų96.140%0.40350%0.504SS..Hα-helixtrans-66.1-41.1178.5-67.6173.5000112.5L486 L487 K488 Q492 V493 D494L486-L490 HydrophobicContact CD1-CD1 4.23Å; L486-L490 HydrophobicContact CD1-CG 4.27Å; L486-L490 HydrophobicContact CG-CD1 4.12Å; L486-L490 VanDerWaalsContact O-CG 3.24Å; L486-L490 WeakPolarHBondContact O-CG 3.47Å; L486-L490 PolarHBondContact O-N 2.96Å; L487-L490 PolarHBondContact O-N 3.23Å; K488-L490 VanDerWaalsContact C-N 3.32Å; L490-Q492 VanDerWaalsContact C-N 3.31Å; L490-Q492 PolarHBondContact O-N 2.89Å; L490-V493 PolarHBondContact O-N 3.5Å; L490-D494 PolarHBondContact O-N 2.62Å
491D90.6Very high80.8Confident88 Ų8898 Ų9847%0.47150%0.502SS..Hα-helixtrans-62.2-39.6176.1-175.458.6000111.5L487 K488 D494 Q495L487-D491 WeakPolarHBondContact O-CB 3.49Å; L487-D491 PolarHBondContact O-N 2.99Å; K488-D491 PolarHBondContact O-N 2.88Å; D491-D494 PolarHBondContact O-N 3.34Å; D491-Q495 VanDerWaalsContact O-CG 3.24Å; D491-Q495 WeakPolarHBondContact O-CG 3.04Å; D491-Q495 PolarHBondContact O-N 3.21Å; D491-Q495 PolarHBondContact OD2-NE2 3.39Å
492Q89Confident82.5Confident61 Ų6197 Ų9729%0.28550%0.497SS..Hα-helixtrans-60.6-45.8172.7-178.8-177.8-11.100111.5N468 K488 F489 L490 D494 Q495 E496N468-Q492 PolarHBondContact ND2-OE1 3.02Å; K488-Q492 WeakPolarHBondContact O-CB 3.47Å; K488-Q492 PolarHBondContact O-N 3Å; F489-Q492 WeakPolarHBondContact O-CB 3.38Å; F489-Q492 PolarHBondContact O-N 2.77Å; L490-Q492 VanDerWaalsContact C-N 3.31Å; L490-Q492 PolarHBondContact O-N 2.89Å; Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 3.4Å; Q492-Q495 PolarHBondContact O-N 2.74Å; Q492-E496 PolarHBondContact NE2-OE1 2.95Å; Q492-E496 WeakPolarHBondContact O-CG 3.43Å; Q492-E496 PolarHBondContact O-N 3.4Å
493V90Very high83.4Confident46 Ų4696.1 Ų96.128%0.27949%0.49SS..Hα-helixtrans-62.3-42.8177.6171.50000111.1F489 L490 Q495 E496 I497F489-V493 HydrophobicContact CE1-CG2 4.17Å; F489-V493 HydrophobicContact CE2-CG2 4.02Å; F489-V493 HydrophobicContact CZ-CG2 3.82Å; F489-V493 WeakPolarHBondContact O-CG2 3.47Å; F489-V493 PolarHBondContact O-N 3.17Å; F489-V493 VanDerWaalsContact O-N 3.07Å; L490-V493 PolarHBondContact O-N 3.5Å; V493-Q495 VanDerWaalsContact C-N 3.32Å; V493-Q495 PolarHBondContact O-N 3.02Å; V493-E496 PolarHBondContact O-N 3.26Å; V493-I497 HydrophobicContact CG1-CD1 3.73Å; V493-I497 HydrophobicContact CG1-CG1 4.41Å; V493-I497 WeakPolarHBondContact O-CB 3.24Å; V493-I497 VanDerWaalsContact O-CG1 3.25Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.06Å
494D90.6Very high83.5Confident103 Ų10393.9 Ų93.955%0.55148%0.482SS*.Hα-helixtrans-62.7-39.6177.6-78.3-21.6000111.8L490 D491 Q492 I497 A498L490-D494 PolarHBondContact O-N 2.62Å; D491-D494 PolarHBondContact O-N 3.34Å; Q492-D494 VanDerWaalsContact C-N 3.34Å; Q492-D494 PolarHBondContact O-N 3.4Å; D494-I497 PolarHBondContact O-N 3.11Å; D494-A498 VanDerWaalsContact O-CB 3.31Å; D494-A498 WeakPolarHBondContact O-CB 3.25Å; D494-A498 PolarHBondContact O-N 2.89Å
495Q91Very high83.1Confident102 Ų10296.9 Ų96.948%0.47750%0.497SS..Hα-helixtrans-64.1-47.3174.7-71.8172.122.900111.8D491 Q492 V493 I497 A498 E499D491-Q495 VanDerWaalsContact O-CG 3.24Å; D491-Q495 WeakPolarHBondContact O-CG 3.04Å; D491-Q495 PolarHBondContact O-N 3.21Å; D491-Q495 PolarHBondContact OD2-NE2 3.39Å; Q492-Q495 PolarHBondContact O-N 2.74Å; V493-Q495 VanDerWaalsContact C-N 3.32Å; V493-Q495 PolarHBondContact O-N 3.02Å; Q495-I497 VanDerWaalsContact C-N 3.32Å; Q495-I497 PolarHBondContact O-N 3.23Å; Q495-A498 PolarHBondContact O-N 3.25Å; Q495-A498 VanDerWaalsContact O-N 3.16Å; Q495-E499 WeakPolarHBondContact O-CG 3.38Å; Q495-E499 PolarHBondContact O-N 3.28Å
496E87.8Confident81.9Confident101 Ų101100.1 Ų100.147%0.47251%0.514SS..Hα-helixtrans-60.4-41.8177.5-73176.6-163.100111.7Q492 V493 E499 V500Q492-E496 PolarHBondContact NE2-OE1 2.95Å; Q492-E496 WeakPolarHBondContact O-CG 3.43Å; Q492-E496 PolarHBondContact O-N 3.4Å; V493-E496 PolarHBondContact O-N 3.26Å; E496-E499 PolarHBondContact O-N 3.15Å; E496-V500 WeakPolarHBondContact O-CG2 3.48Å; E496-V500 PolarHBondContact O-N 2.7Å; E496-V500 VanDerWaalsContact O-N 3.1Å
497I88.7Confident80.4Confident104 Ų104102 Ų10253%0.53352%0.524SS..Hα-helixtrans-64-43.8174.9-68.6168.4000110.8V493 D494 Q495 E499 V500 R501V493-I497 HydrophobicContact CG1-CD1 3.73Å; V493-I497 HydrophobicContact CG1-CG1 4.41Å; V493-I497 WeakPolarHBondContact O-CB 3.24Å; V493-I497 VanDerWaalsContact O-CG1 3.25Å; V493-I497 WeakPolarHBondContact O-CG1 3.33Å; V493-I497 PolarHBondContact O-N 3.06Å; D494-I497 PolarHBondContact O-N 3.11Å; Q495-I497 VanDerWaalsContact C-N 3.32Å; Q495-I497 PolarHBondContact O-N 3.23Å; I497-E499 VanDerWaalsContact C-N 3.33Å; I497-E499 PolarHBondContact O-N 2.68Å; I497-V500 PolarHBondContact O-N 2.85Å; I497-R501 WeakPolarHBondContact O-CB 3.42Å; I497-R501 PolarHBondContact O-N 2.95Å
498A89.4Confident78.5Confident42 Ų42100.4 Ų100.435%0.34752%0.516SS..Hα-helixtrans-63.7-37.5178.200000112.1D494 Q495 R501 N502D494-A498 VanDerWaalsContact O-CB 3.31Å; D494-A498 WeakPolarHBondContact O-CB 3.25Å; D494-A498 PolarHBondContact O-N 2.89Å; Q495-A498 PolarHBondContact O-N 3.25Å; Q495-A498 VanDerWaalsContact O-N 3.16Å; A498-R501 WeakPolarHBondContact O-CB 3.49Å; A498-R501 PolarHBondContact O-N 2.9Å; A498-N502 WeakPolarHBondContact O-CB 3.42Å; A498-N502 VanDerWaalsContact O-CG 3.26Å; A498-N502 PolarHBondContact O-N 3.02Å; A498-N502 PolarHBondContact O-ND2 2.78Å
499E88Confident76.7Confident106 Ų10698.5 Ų98.550%0.49552%0.515SS..Hα-helixtrans-63.8-46.3174.4-76.1-168.6-169.200112.6Q495 E496 I497 R501 N502 K503Q495-E499 WeakPolarHBondContact O-CG 3.38Å; Q495-E499 PolarHBondContact O-N 3.28Å; E496-E499 PolarHBondContact O-N 3.15Å; I497-E499 VanDerWaalsContact C-N 3.33Å; I497-E499 PolarHBondContact O-N 2.68Å; E499-R501 VanDerWaalsContact C-N 3.26Å; E499-R501 PolarHBondContact O-N 2.82Å; E499-N502 PolarHBondContact O-N 3.17Å; E499-K503 WeakPolarHBondContact O-CB 3.4Å; E499-K503 WeakPolarHBondContact O-CG 3.43Å; E499-K503 PolarHBondContact O-N 3.38Å; E499-K503 IonicContact OE2-NZ 3.49Å; E499-K503 PolarHBondContact OE2-NZ 3.27Å
500V82.9Confident74.9Confident100 Ų10099.7 Ų99.761%0.60653%0.528SS*.Hα-helixtrans-62-38.8176.6173.60000110.4E496 I497E496-V500 WeakPolarHBondContact O-CG2 3.48Å; E496-V500 PolarHBondContact O-N 2.7Å; E496-V500 VanDerWaalsContact O-N 3.1Å; I497-V500 PolarHBondContact O-N 2.85Å
501R80.6Confident72.9Confident162 Ų162103.4 Ų103.461%0.61155%0.548SS*.Hα-helixtrans-63-45.4174.7-175.9179.9179.6176.1-0.9112.1I497 A498 E499 G504 N542I497-R501 WeakPolarHBondContact O-CB 3.42Å; I497-R501 PolarHBondContact O-N 2.95Å; A498-R501 WeakPolarHBondContact O-CB 3.49Å; A498-R501 PolarHBondContact O-N 2.9Å; E499-R501 VanDerWaalsContact C-N 3.26Å; E499-R501 PolarHBondContact O-N 2.82Å; R501-G504 PolarHBondContact O-N 2.88Å; R501-N542 PolarHBondContact NH2-OD1 2.96Å
502N81Confident70.7Confident138 Ų138106.1 Ų106.174%0.73856%0.561SS**Hα-helixtrans-74.8-29.2-176.5-73.7-23.1000113.6A498 E499 G504A498-N502 WeakPolarHBondContact O-CB 3.42Å; A498-N502 VanDerWaalsContact O-CG 3.26Å; A498-N502 PolarHBondContact O-N 3.02Å; A498-N502 PolarHBondContact O-ND2 2.78Å; E499-N502 PolarHBondContact O-N 3.17Å; N502-G504 PolarHBondContact O-N 2.95Å; N502-G504 VanDerWaalsContact O-N 3.17Å
503K72.6Confident68.5Low160 Ų160110.3 Ų110.370%0.69658%0.581SS**THydrogen-bonded Turntrans-64.7-15.2175.2-79.4170.9-178.4156.20112.9E499E499-K503 WeakPolarHBondContact O-CB 3.4Å; E499-K503 WeakPolarHBondContact O-CG 3.43Å; E499-K503 PolarHBondContact O-N 3.38Å; E499-K503 IonicContact OE2-NZ 3.49Å; E499-K503 PolarHBondContact OE2-NZ 3.27Å
504G59.1Low66.4Low46 Ų46116.8 Ų116.847%0.47461%0.61SS.*  trans66.3117.5-174.900000109.3R501 N502 L506R501-G504 PolarHBondContact O-N 2.88Å; N502-G504 PolarHBondContact O-N 2.95Å; N502-G504 VanDerWaalsContact O-N 3.17Å; G504-L506 VanDerWaalsContact C-N 3.34Å; G504-L506 PolarHBondContact O-N 2.95Å
505L54.7Low64.2Low134 Ų134119.3 Ų119.370%0.70262%0.619SS**  trans-61.1107.4166.7-158.377.9000105.4N507L505-N507 PolarHBondContact O-N 2.84Å
506L48.7Very low62.1Low150 Ų150116.7 Ų116.779%0.78561%0.611SS**  trans-56.2102.2163.3-149.992.7000102.8G504 D508G504-L506 VanDerWaalsContact C-N 3.34Å; G504-L506 PolarHBondContact O-N 2.95Å; L506-D508 HydrophobicContact CD2-CB 4.33Å; L506-D508 PolarHBondContact O-N 3.43Å
507N52.8Low60.4Low127 Ų127115.2 Ų115.268%0.67961%0.611SS**  trans-70.861176.5-90.8-17.7000107.5L505 V509L505-N507 PolarHBondContact O-N 2.84Å; N507-V509 PolarHBondContact O-N 3.3Å; N507-V509 VanDerWaalsContact O-N 3.11Å
508D45.6Very low59.2Low102 Ų102118.7 Ų118.755%0.54562%0.623SS.*  trans-83.952.1160.4-137.7-9.3000107.4L506 S510L506-D508 HydrophobicContact CD2-CB 4.33Å; L506-D508 PolarHBondContact O-N 3.43Å; D508-S510 PolarHBondContact O-N 2.87Å; D508-S510 WeakPolarHBondContact OD1-CB 3.35Å; D508-S510 PolarHBondContact OD1-OG 3.34Å
509V49.7Very low57.7Low87 Ų87121.4 Ų121.453%0.52764%0.638SS.*THydrogen-bonded Turntrans-76.651.9160.8-168.20000106.9N507 L512N507-V509 PolarHBondContact O-N 3.3Å; N507-V509 VanDerWaalsContact O-N 3.11Å; V509-L512 HydrophobicContact CG1-CB 3.9Å; V509-L512 HydrophobicContact CG1-CD1 3.72Å; V509-L512 HydrophobicContact CG1-CG 4.45Å
510S50.4Low56.3Low58 Ų58121.1 Ų121.141%0.40664%0.637SS.*THydrogen-bonded Turntrans-90.9-18.2165.854.80000110.5D508 L512 E513D508-S510 PolarHBondContact O-N 2.87Å; D508-S510 WeakPolarHBondContact OD1-CB 3.35Å; D508-S510 PolarHBondContact OD1-OG 3.34Å; S510-L512 VanDerWaalsContact C-N 3.32Å; S510-L512 PolarHBondContact O-N 3.48Å; S510-E513 PolarHBondContact O-N 3.45Å
511N47.2Very low55Low154 Ų154122.8 Ų122.882%0.82463%0.632SS**THydrogen-bonded Turntrans-82.40.2179.1-67.5-40.9000115.2
512L45.6Very low54.1Low145 Ų145117.5 Ų117.576%0.75962%0.623SS**THydrogen-bonded Turntrans-104.44.3172.8-90.7143.5000112.9V509 S510 M514V509-L512 HydrophobicContact CG1-CB 3.9Å; V509-L512 HydrophobicContact CG1-CD1 3.72Å; V509-L512 HydrophobicContact CG1-CG 4.45Å; S510-L512 VanDerWaalsContact C-N 3.32Å; S510-L512 PolarHBondContact O-N 3.48Å; L512-M514 PolarHBondContact O-N 3.17Å
513E42.2Very low53.3Low150 Ų150120.1 Ų120.170%0.70162%0.623SS**SBendtrans-63.7106.1161.8-69.2-166170.200107.8S510 H515S510-E513 PolarHBondContact O-N 3.45Å; E513-H515 PolarHBondContact O-N 3.11Å
514M45.9Very low52.4Low181 Ų181117.4 Ų117.489%0.89262%0.616SS**  trans-50.1110.3167.2-99-177.5-98.100107.5L512 P516L512-M514 PolarHBondContact O-N 3.17Å; M514-P516 WeakPolarHBondContact O-CD 3.36Å
515H43.9Very low52.5Low157 Ų157122.1 Ų122.173%0.72763%0.629SS**PPolyproline II helixtrans-57.7116.9173.8-80-66.7000107.9E513 S517E513-H515 PolarHBondContact O-N 3.11Å; H515-S517 PolarHBondContact O-N 3.38Å
516P46.8Very low52.3Low47 Ų47121 Ų12131%0.30563%0.632SS.*PPolyproline II helixtrans-58.1142.6179.10.20000109.5M514 E520 R521M514-P516 WeakPolarHBondContact O-CD 3.36Å; P516-E520 WeakPolarHBondContact CA-OE2 3.31Å; P516-E520 HydrophobicContact CB-CB 3.41Å; P516-E520 VanDerWaalsContact CB-CB 3.41Å; P516-E520 HydrophobicContact CB-CG 4.26Å; P516-E520 VanDerWaalsContact CB-OE2 3.27Å; P516-E520 WeakPolarHBondContact CB-OE2 3.45Å; P516-R521 PolarHBondContact O-NE 3.4Å
517S52.7Low52.1Low69 Ų69118.3 Ų118.348%0.48362%0.624SS.*PPolyproline II helixtrans-54.1156.6178.961.30000110.7H515 C519 E520 R521H515-S517 PolarHBondContact O-N 3.38Å; S517-C519 PolarHBondContact O-N 3.07Å; S517-E520 PolarHBondContact N-OE2 3.41Å; S517-E520 WeakPolarHBondContact O-CA 3.49Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 3.33Å; S517-E520 PolarHBondContact OG-OE2 3.02Å; S517-R521 PolarHBondContact O-N 3.22Å
518F63.3Low51.4Low178 Ų178118.4 Ų118.478%0.78163%0.633SS**Hα-helixtrans-49.4-37.2-176.9-179.9-98.3000113R521 A522F518-R521 PolarHBondContact O-N 3.37Å; F518-A522 PolarHBondContact O-N 2.95Å
519C58.6Low51.1Low99 Ų99122 Ų12267%0.66965%0.647SS**Hα-helixtrans-65.9-37.3175.6-68.80000113.9S517 A522 R523S517-C519 PolarHBondContact O-N 3.07Å; C519-A522 PolarHBondContact O-N 3.45Å; C519-R523 PolarHBondContact O-N 2.95Å
520E57.2Low50.6Low100 Ų100128 Ų12847%0.46767%0.666SS.*Hα-helixtrans-71.9-35.5174.9-78.9171.2134.500112P516 S517 A522 R523 N524P516-E520 WeakPolarHBondContact CA-OE2 3.31Å; P516-E520 HydrophobicContact CB-CB 3.41Å; P516-E520 VanDerWaalsContact CB-CB 3.41Å; P516-E520 HydrophobicContact CB-CG 4.26Å; P516-E520 VanDerWaalsContact CB-OE2 3.27Å; P516-E520 WeakPolarHBondContact CB-OE2 3.45Å; S517-E520 PolarHBondContact N-OE2 3.41Å; S517-E520 WeakPolarHBondContact O-CA 3.49Å; S517-E520 WeakPolarHBondContact O-CB 3.33Å; S517-E520 PolarHBondContact O-N 3.33Å; S517-E520 PolarHBondContact OG-OE2 3.02Å; E520-A522 VanDerWaalsContact C-N 3.34Å; E520-R523 PolarHBondContact O-N 3.3Å; E520-N524 WeakPolarHBondContact O-CB 3.24Å; E520-N524 VanDerWaalsContact O-CG 3.24Å; E520-N524 PolarHBondContact O-N 2.96Å; E520-N524 PolarHBondContact O-ND2 2.97Å
521R56.8Low50.1Low135 Ų135134.9 Ų134.951%0.50969%0.689SS.*Hα-helixtrans-60.6-43.5171.3-91.7-176.6-112.4-167.2-5.6112P516 S517 F518 N524 L525P516-R521 PolarHBondContact O-NE 3.4Å; S517-R521 PolarHBondContact O-N 3.22Å; F518-R521 PolarHBondContact O-N 3.37Å; R521-N524 PolarHBondContact O-N 3.38Å; R521-L525 PolarHBondContact O-N 3.49Å
522A61.1Low49.5Very low51 Ų51136.9 Ų136.942%0.42169%0.69SS.*Hα-helixtrans-64.2-40176.500000112.1F518 C519 E520F518-A522 PolarHBondContact O-N 2.95Å; C519-A522 PolarHBondContact O-N 3.45Å; E520-A522 VanDerWaalsContact C-N 3.34Å
523R64.9Low49.1Very low192 Ų192135.3 Ų135.373%0.72569%0.689SS**Hα-helixtrans-66.6-40.5177.5-173.2176.3173.1168.3-2.2112.6C519 E520 C526C519-R523 PolarHBondContact O-N 2.95Å; E520-R523 PolarHBondContact O-N 3.3Å; R523-C526 PolarHBondContact O-N 3.1Å
524N53.8Low49Very low104 Ų104133.6 Ų133.656%0.55669%0.691SS**Hα-helixtrans-73.6-27.5-176.8-71.2-18.3000113.4E520 R521 C526 C527E520-N524 WeakPolarHBondContact O-CB 3.24Å; E520-N524 VanDerWaalsContact O-CG 3.24Å; E520-N524 PolarHBondContact O-N 2.96Å; E520-N524 PolarHBondContact O-ND2 2.97Å; R521-N524 PolarHBondContact O-N 3.38Å; N524-C526 PolarHBondContact O-N 3.42Å; N524-C527 PolarHBondContact O-N 3.36Å
525L60Low48.6Very low144 Ų144130.4 Ų130.475%0.75468%0.683SS**Hα-helixtrans-65.9-25.9172.8-81.4161.7000112.9R521R521-L525 PolarHBondContact O-N 3.49Å
526C52.2Low48.2Very low112 Ų112128.3 Ų128.376%0.75768%0.684SS**THydrogen-bonded Turntrans-84-13.6179.2-71.70000114.1R523 N524R523-C526 PolarHBondContact O-N 3.1Å; N524-C526 PolarHBondContact O-N 3.42Å
527C43.3Very low47.8Very low92 Ų92132 Ų13262%0.62271%0.707SS**  trans-116.384.2-176.3-64.70000110.6N524 E529N524-C527 PolarHBondContact O-N 3.36Å; C527-E529 VanDerWaalsContact C-N 3.28Å; C527-E529 PolarHBondContact O-N 3.47Å
528C38.6Very low47.2Very low129 Ų129135.9 Ų135.987%0.87272%0.721SS**  trans-66.878.4170.9-70.10000111.7
529E39.4Very low46Very low179 Ų179135.1 Ų135.184%0.83672%0.722SS**  trans-105.4116.8157.6-88.1-172.1157.200110C527 K531C527-E529 VanDerWaalsContact C-N 3.28Å; C527-E529 PolarHBondContact O-N 3.47Å; E529-K531 PolarHBondContact O-N 2.84Å
530K39.6Very low45.3Very low212 Ų212135 Ų13592%0.92272%0.718SS**  trans-57.7105.4177.5-69.3177.7176.8178.40109.5K532K530-K532 PolarHBondContact O-N 3.04Å
531K39Very low44.5Very low203 Ų203134.3 Ų134.388%0.88372%0.721SS**PPolyproline II helixtrans-57.1121.4169-78.3-176.7175.2-175.90109.1E529E529-K531 PolarHBondContact O-N 2.84Å
532K34Very low44.2Very low195 Ų195132.4 Ų132.485%0.84872%0.721SS**PPolyproline II helixtrans-60.1140.8164-93.9-179.6174.9177.10108.6K530K530-K532 PolarHBondContact O-N 3.04Å
533P37.8Very low43.6Very low113 Ų113135 Ų13573%0.73473%0.731SS**PPolyproline II helixtrans-60.2145.2178.324.4-32000110.6
534P40.8Very low42.6Very low114 Ų114129.9 Ų129.974%0.7472%0.718SS**PPolyproline II helixtrans-61.3146.5-177.225.8-33.3000110.7
535P36.2Very low42.1Very low114 Ų114132.2 Ų132.274%0.7472%0.72SS**PPolyproline II helixtrans-60.2148.5170.726.6-31.8000109.6
536P36.6Very low41.2Very low113 Ų113130.6 Ų130.673%0.73471%0.709SS**PPolyproline II helixtrans-59.1148.8-17823.1-32000111.5I538P536-I538 PolarHBondContact O-N 2.83Å
537P38.1Very low40.5Very low124 Ų124133.9 Ų133.981%0.80571%0.705SS**PPolyproline II helixtrans-57.2131.1-173.821-31.6000111.4M539P537-M539 PolarHBondContact O-N 2.85Å; P537-M539 VanDerWaalsContact O-N 3.09Å
538I39.9Very low40.4Very low151 Ų151138.8 Ų138.877%0.77471%0.712SS**  trans-69.4106.4172.7-59.7171.6000106.9P536 V540P536-I538 PolarHBondContact O-N 2.83Å; I538-V540 PolarHBondContact O-N 2.76Å; I538-V540 VanDerWaalsContact O-N 3.11Å
539M38.5Very low40.5Very low162 Ų162142.2 Ų142.280%0.79871%0.708SS**  trans-67.2104164.4-83.8-171.8-75.500108.2P537 T541P537-M539 PolarHBondContact O-N 2.85Å; P537-M539 VanDerWaalsContact O-N 3.09Å; M539-T541 HydrophobicContact CB-CG2 4.16Å; M539-T541 PolarHBondContact O-N 3.21Å; M539-T541 VanDerWaalsContact O-N 3.09Å
540V44.4Very low40.4Very low97 Ų97140.7 Ų140.759%0.58870%0.701SS**  trans-71.6100.2165.5-178.30000106.4I538 D544I538-V540 PolarHBondContact O-N 2.76Å; I538-V540 VanDerWaalsContact O-N 3.11Å; V540-D544 HydrophobicContact CG1-CB 3.9Å
541T39.1Very low40Very low84 Ų84134.8 Ų134.852%0.51568%0.683SS.*  trans-94.3167.3176.656.20000110.1M539 V543 D544M539-T541 HydrophobicContact CB-CG2 4.16Å; M539-T541 PolarHBondContact O-N 3.21Å; M539-T541 VanDerWaalsContact O-N 3.09Å; T541-V543 PolarHBondContact O-N 3.4Å; T541-D544 PolarHBondContact O-N 3.3Å; T541-D544 VanDerWaalsContact O-N 3.16Å
542N50.9Low39.7Very low95 Ų95130.7 Ų130.751%0.50868%0.677SS.*THydrogen-bonded Turntrans-46.7-20.7-171.1-83.4-16.2000116.7R501 D544 Y545 E546R501-N542 PolarHBondContact NH2-OD1 2.96Å; N542-D544 VanDerWaalsContact C-N 3.26Å; N542-D544 PolarHBondContact O-N 3.29Å; N542-Y545 PolarHBondContact O-N 3.16Å; N542-E546 PolarHBondContact O-N 2.78Å
543V48Very low39.5Very low105 Ų105130.6 Ų130.664%0.63668%0.682SS**Hα-helixtrans-64.3-27.2-179.3-170.30000113T541T541-V543 PolarHBondContact O-N 3.4Å
544D43.7Very low39.2Very low85 Ų85134 Ų13446%0.45569%0.685SS.*Hα-helixtrans-79.8-24.1-177.5-72.8-34000113.7V540 T541 N542V540-D544 HydrophobicContact CG1-CB 3.9Å; T541-D544 PolarHBondContact O-N 3.3Å; T541-D544 VanDerWaalsContact O-N 3.16Å; N542-D544 VanDerWaalsContact C-N 3.26Å; N542-D544 PolarHBondContact O-N 3.29Å
545Y43.4Very low39.2Very low153 Ų153134.7 Ų134.760%0.669%0.689SS**Hα-helixtrans-98.5-35.8-178-109.2-89000113.8N542 R547 Y548 Y549N542-Y545 PolarHBondContact O-N 3.16Å; Y545-R547 PolarHBondContact O-N 2.81Å; Y545-Y548 WeakPolarHBondContact O-CB 3.4Å; Y545-Y548 PolarHBondContact O-N 3.09Å; Y545-Y549 HydrophobicContact CD1-CE2 4.49Å
546E41.4Very low39.2Very low111 Ų111133 Ų13352%0.51968%0.68SS.*Hα-helixtrans-59.2-30.1172.3-80.3177.117800111N542 Y548 Y549 E550N542-E546 PolarHBondContact O-N 2.78Å; E546-Y548 VanDerWaalsContact C-N 3.25Å; E546-Y548 PolarHBondContact O-N 2.83Å; E546-Y549 PolarHBondContact O-N 2.95Å; E546-E550 WeakPolarHBondContact O-CB 3.49Å; E546-E550 PolarHBondContact O-N 2.88Å
547R38.8Very low39.1Very low181 Ų181136.9 Ų136.968%0.68369%0.688SS**Hα-helixtrans-63.4-27.1173.7-147.3175.7-154.1177.57.1114.1Y545 T551Y545-R547 PolarHBondContact O-N 2.81Å; R547-T551 WeakPolarHBondContact CG-OG1 3.42Å; R547-T551 PolarHBondContact O-OG1 3.09Å
548Y40.8Very low39Very low195 Ų195135.8 Ų135.877%0.76568%0.675SS**Hα-helixtrans-77-28.1179.4-108.3-86.4000113Y545 E546Y545-Y548 WeakPolarHBondContact O-CB 3.4Å; Y545-Y548 PolarHBondContact O-N 3.09Å; E546-Y548 VanDerWaalsContact C-N 3.25Å; E546-Y548 PolarHBondContact O-N 2.83Å
549Y40.5Very low38.8Very low201 Ų201134.9 Ų134.979%0.78867%0.667SS**Hα-helixtrans-105.7-26.1-178.8-71.1-77.3000113.8Y545 E546Y545-Y549 HydrophobicContact CD1-CE2 4.49Å; E546-Y549 PolarHBondContact O-N 2.95Å
550E36.4Very low39Very low146 Ų146132 Ų13268%0.68266%0.661SS**Hα-helixtrans-106.6-9.4-171.7-63.4-164.4159.600116.2E546 P552E546-E550 WeakPolarHBondContact O-CB 3.49Å; E546-E550 PolarHBondContact O-N 2.88Å; E550-P552 WeakPolarHBondContact O-CD 3.5Å
551T31.2Very low38.7Very low88 Ų88131.2 Ų131.254%0.5466%0.66SS.*SBendtrans-99.3109.9170.621.30000112.2R547 M553R547-T551 WeakPolarHBondContact CG-OG1 3.42Å; R547-T551 PolarHBondContact O-OG1 3.09Å; T551-M553 PolarHBondContact O-N 3.16Å
552P33.6Very low38.8Very low117 Ų117131.8 Ų131.876%0.7666%0.659SS**  trans-59.9127.6167.322.8-29.8000108.7E550 K554E550-P552 WeakPolarHBondContact O-CD 3.5Å; P552-K554 PolarHBondContact O-N 2.9Å
553M30.4Very low38.1Very low194 Ų194133.8 Ų133.896%0.95666%0.663SS**  trans-44.7104.4-176.7-78.4-173171.900111.9T551T551-M553 PolarHBondContact O-N 3.16Å
554K30Very low37.6Very low184 Ų184137.8 Ų137.880%0.867%0.672SS**  trans-88.2126.2155.6-82.4-174177.7177.90107.7P552 S556P552-K554 PolarHBondContact O-N 2.9Å; K554-S556 VanDerWaalsContact C-N 3.28Å; K554-S556 PolarHBondContact O-N 2.91Å
555P41.3Very low37.2Very low128 Ų128144.7 Ų144.783%0.83169%0.691SS**SBendtrans-78.979.4-173.831.6-33.4000110.1
556S36.7Very low37.1Very low79 Ų79142.7 Ų142.755%0.55270%0.695SS**  trans-154.593.4167.157.30000107.8K554K554-S556 VanDerWaalsContact C-N 3.28Å; K554-S556 PolarHBondContact O-N 2.91Å
557H34.8Very low36.8Very low195 Ų195148 Ų14890%0.90371%0.711SS**  trans168.949.8147-76.1-50.4000109.2
558L34.3Very low36.9Very low101 Ų101147.5 Ų147.553%0.52972%0.721SS.*  trans-76.7127.5163.9-90.5121.3000109.5I562L558-I562 HydrophobicContact CD2-CB 3.75Å; L558-I562 HydrophobicContact CD2-CG2 3.35Å; L558-I562 HydrophobicContact CD2-CD1 4.3Å
559H36.2Very low36.4Very low131 Ų131150 Ų15061%0.60673%0.729SS**  trans-51.6142.8174.7-170-93.8000111.4S561 I562H559-S561 PolarHBondContact ND1-OG 3.32Å; H559-S561 PolarHBondContact O-N 3.26Å; H559-I562 PolarHBondContact O-N 3.41Å
560P42.9Very low36.2Very low101 Ų101148.5 Ų148.566%0.65675%0.748SS**THydrogen-bonded Turntrans-58.1-24.8-168.2-26.235000115.4I562P560-I562 VanDerWaalsContact C-N 3.31Å; P560-I562 PolarHBondContact O-N 3.49Å
561S38.4Very low36.2Very low82 Ų82148.7 Ų148.757%0.57375%0.751SS**THydrogen-bonded Turntrans-70.9-22.6177.546.80000113.9H559H559-S561 PolarHBondContact ND1-OG 3.32Å; H559-S561 PolarHBondContact O-N 3.26Å
562I41.4Very low36.4Very low95 Ų95151.8 Ų151.849%0.48776%0.762SS.*THydrogen-bonded Turntrans-93.5-18.9-178.7-53.6176.1000111.5L558 H559 P560 K564L558-I562 HydrophobicContact CD2-CB 3.75Å; L558-I562 HydrophobicContact CD2-CG2 3.35Å; L558-I562 HydrophobicContact CD2-CD1 4.3Å; H559-I562 PolarHBondContact O-N 3.41Å; P560-I562 VanDerWaalsContact C-N 3.31Å; P560-I562 PolarHBondContact O-N 3.49Å; I562-K564 PolarHBondContact O-N 2.94Å
563K36.4Very low36.6Very low138 Ų138153.8 Ų153.860%0.676%0.763SS**G310 helixtrans-66.7-14.1176.2-78-170177.2-175.90114.7W565K563-W565 VanDerWaalsContact C-N 3.29Å; K563-W565 PolarHBondContact O-N 3.17Å
564K36.8Very low37Very low189 Ų189151.4 Ų151.482%0.82275%0.751SS**G310 helixtrans-77.3-9.3-177.7-115.1-175.9-173.8-175.70114.7I562I562-K564 PolarHBondContact O-N 2.94Å
565W36.2Very low37.4Very low229 Ų229149.4 Ų149.487%0.86775%0.748SS**G310 helixtrans-115.23-173.6-82.590.9000115.9K563K563-W565 VanDerWaalsContact C-N 3.29Å; K563-W565 PolarHBondContact O-N 3.17Å
566T41.1Very low37.1Very low111 Ų111150.8 Ų150.868%0.68174%0.743SS**SBendtrans-119.321.9-175.654.40000115.8
567W35.2Very low37.2Very low222 Ų222155.9 Ų155.984%0.84176%0.756SS**SBendtrans-113.728.1175.7-98.198.8000115.5
568L39.7Very low37.3Very low172 Ų172152.9 Ų152.990%0.90175%0.745SS**SBendtrans-120.423.6177.2-90.1164.1000115.2
569R30.2Very low37.6Very low247 Ų247157.3 Ų157.393%0.93276%0.763SS**  trans-143.671.6171.2-81.7-168.2-179.7178.8-0.2113.6
570S36.6Very low37.7Very low170 Ų170159.6 Ų159.6100%1.18978%0.777SS**  trans-165.60132.276.50000106.9

Retrieved 570 of 570 residues in 162.6 ms (Link to these results)

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