A0A3Q0KHN5_SCHMA Loading...

Proteolipid protein

AlphaFold DB , UniProt , Accession A0A3Q0KHN5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 380 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
1M45.2Very low56.9Low232 Ų232125.4 Ų125.4100%1.14367%0.673SS**  0-26.50-97-173.7-176.700114.4
2S43.9Very low58.1Low86 Ų86119.4 Ų119.460%0.60164%0.644SS**  trans-94.2-31.5-172.845.70000116.3Y4 Y5S2-Y4 PolarHBondContact O-N 3.23Å; S2-Y5 PolarHBondContact O-N 3.31Å
3E41.9Very low59.1Low166 Ų166118 Ų11878%0.77662%0.624SS**THydrogen-bonded Turntrans-67.7-30.6-167.6-77.9179.3148.800115.2
4Y49Very low60.1Low203 Ų203115.3 Ų115.380%0.79662%0.618SS**THydrogen-bonded Turntrans-84.1-16.9-178-108.8-89.5000114.6S2S2-Y4 PolarHBondContact O-N 3.23Å
5Y50.4Low60.8Low97 Ų97109.8 Ų109.838%0.3859%0.588SS.*THydrogen-bonded Turntrans-77.6-27.3176.9-79.7-75.9000111.5S2 G7 D8 R13S2-Y5 PolarHBondContact O-N 3.31Å; Y5-G7 PolarHBondContact O-N 3.23Å; Y5-D8 WeakPolarHBondContact O-CB 3.43Å; Y5-D8 PolarHBondContact O-N 3.14Å; Y5-R13 VanDerWaalsContact O-CZ 3.31Å; Y5-R13 PolarHBondContact O-NE 3.22Å; Y5-R13 PolarHBondContact O-NH2 3.46Å
6E50.3Low61.4Low155 Ų155104.4 Ų104.472%0.72456%0.557SS**THydrogen-bonded Turntrans-56.9-24.6-169.5-87.1177.4158.300115.2
7G60.2Low62.2Low72 Ų72101.8 Ų101.874%0.74255%0.549SS*.THydrogen-bonded Turntrans-85.6-14.3174.600000115.7Y5 N9Y5-G7 PolarHBondContact O-N 3.23Å; G7-N9 PolarHBondContact O-N 3.28Å
8D58.4Low63.2Low70 Ų7097.9 Ų97.937%0.37453%0.53SS..SBendtrans-76.2126.8-177.9-85.4-16000111.3Y5 S10 R13Y5-D8 WeakPolarHBondContact O-CB 3.43Å; Y5-D8 PolarHBondContact O-N 3.14Å; D8-S10 PolarHBondContact O-N 3.2Å; D8-R13 HydrophobicContact CB-CG 4.08Å
9N76Confident64.2Low124 Ų12494.8 Ų94.866%0.66352%0.516SS*.  trans-47.8130.7168.8-76.3-24000110.1G7 C11 V12 R13G7-N9 PolarHBondContact O-N 3.28Å; N9-C11 PolarHBondContact O-N 3.45Å; N9-V12 HydrophobicContact CB-CG2 4.13Å; N9-V12 WeakPolarHBondContact O-CB 3.14Å; N9-V12 PolarHBondContact O-N 3.02Å; N9-R13 PolarHBondContact O-N 3.47Å
10S76.6Confident65.3Low95 Ų9595.5 Ų95.566%0.66452%0.518SS*.Hα-helixtrans-50.1-34.2179.755.20000113.1D8 R13 C14D8-S10 PolarHBondContact O-N 3.2Å; S10-R13 PolarHBondContact O-N 3.08Å; S10-C14 PolarHBondContact O-N 2.98Å; S10-C14 PolarHBondContact O-SG 2.96Å
11C73.8Confident66.3Low79 Ų7991.6 Ų91.653%0.53450%0.499SS..Hα-helixtrans-59.6-46.1174.7-172.70000112.9N9 R13 C14 L15N9-C11 PolarHBondContact O-N 3.45Å; C11-R13 VanDerWaalsContact C-N 3.31Å; C11-R13 PolarHBondContact O-N 3.45Å; C11-C14 WeakPolarHBondContact O-CB 3.49Å; C11-C14 PolarHBondContact O-N 3.11Å; C11-C14 VanDerWaalsContact O-N 3.14Å; C11-L15 WeakPolarHBondContact O-CG 3.42Å; C11-L15 PolarHBondContact O-N 3.31Å
12V71.9Confident68.5Low54 Ų5480.7 Ų80.733%0.32745%0.445SS..Hα-helixtrans-63.1-41.3-179.81780000110.2N9 C14 L15 R16 M355N9-V12 HydrophobicContact CB-CG2 4.13Å; N9-V12 WeakPolarHBondContact O-CB 3.14Å; N9-V12 PolarHBondContact O-N 3.02Å; V12-C14 PolarHBondContact O-N 3.33Å; V12-L15 PolarHBondContact O-N 3.32Å; V12-R16 WeakPolarHBondContact O-CB 3.41Å; V12-R16 PolarHBondContact O-N 2.85Å; V12-R16 VanDerWaalsContact O-N 3.13Å; V12-M355 HydrophobicContact CB-CE 4.24Å; V12-M355 HydrophobicContact CG1-CE 3.51Å; V12-M355 WeakPolarHBondContact O-CE 3.5Å
13R70.8Confident70.7Confident101 Ų10179.6 Ų79.638%0.38143%0.432SS..Hα-helixtrans-62.2-41.6174.5-64-168.6-168.8169.97.4112.2Y5 D8 N9 S10 C11 R16 S17Y5-R13 VanDerWaalsContact O-CZ 3.31Å; Y5-R13 PolarHBondContact O-NE 3.22Å; Y5-R13 PolarHBondContact O-NH2 3.46Å; D8-R13 HydrophobicContact CB-CG 4.08Å; N9-R13 PolarHBondContact O-N 3.47Å; S10-R13 PolarHBondContact O-N 3.08Å; C11-R13 VanDerWaalsContact C-N 3.31Å; C11-R13 PolarHBondContact O-N 3.45Å; R13-R16 PolarHBondContact O-N 2.75Å; R13-S17 VanDerWaalsContact O-CB 3.27Å; R13-S17 WeakPolarHBondContact O-CB 3.4Å; R13-S17 PolarHBondContact O-N 2.69Å; R13-S17 PolarHBondContact O-OG 2.89Å
14C72.8Confident73.2Confident80 Ų8074.9 Ų74.954%0.54142%0.415SS..Hα-helixtrans-63.2-47.5177-74.80000112.4S10 C11 V12 R16 S17 S18S10-C14 PolarHBondContact O-N 2.98Å; S10-C14 PolarHBondContact O-SG 2.96Å; C11-C14 WeakPolarHBondContact O-CB 3.49Å; C11-C14 PolarHBondContact O-N 3.11Å; C11-C14 VanDerWaalsContact O-N 3.14Å; V12-C14 PolarHBondContact O-N 3.33Å; C14-R16 PolarHBondContact O-N 3.49Å; C14-S17 PolarHBondContact O-N 3.33Å; C14-S17 PolarHBondContact O-OG 3.17Å; C14-S18 WeakPolarHBondContact O-CB 3.48Å; C14-S18 PolarHBondContact O-N 3.48Å
15L70.5Confident75.2Confident33 Ų3365.2 Ų65.217%0.17338%0.377CS..Hα-helixtrans-58.4-37178.3-67.9175.8000112.2C11 V12 A21 M355C11-L15 WeakPolarHBondContact O-CG 3.42Å; C11-L15 PolarHBondContact O-N 3.31Å; V12-L15 PolarHBondContact O-N 3.32Å; L15-A21 HydrophobicContact CD2-CB 3.25Å; L15-M355 HydrophobicContact CB-CE 3.52Å; L15-M355 HydrophobicContact CB-SD 3.57Å; L15-M355 VanDerWaalsContact CB-SD 3.57Å; L15-M355 HydrophobicContact CD1-CE 4.18Å; L15-M355 HydrophobicContact CD1-SD 3.6Å; L15-M355 HydrophobicContact CG-CE 4.47Å; L15-M355 HydrophobicContact CG-SD 4.23Å
16R70.6Confident77.3Confident24 Ų2462.1 Ų62.19%0.09137%0.365CS..Hα-helixtrans-83.2-23.5-177.9-179.4170163.9152.1-4.3114.5V12 R13 C14 M355 R359 E362V12-R16 WeakPolarHBondContact O-CB 3.41Å; V12-R16 PolarHBondContact O-N 2.85Å; V12-R16 VanDerWaalsContact O-N 3.13Å; R13-R16 PolarHBondContact O-N 2.75Å; C14-R16 PolarHBondContact O-N 3.49Å; R16-M355 HydrophobicContact CB-CE 4.02Å; R16-R359 HydrophobicContact CG-CB 4.11Å; R16-R359 HydrophobicContact CG-CG 4.35Å; R16-R359 VanDerWaalsContact CZ-CA 3.43Å; R16-R359 VanDerWaalsContact NE-CB 3.33Å; R16-R359 PolarHBondContact O-NH1 2.86Å; R16-E362 IonicContact CZ-OE1 3.84Å; R16-E362 IonicContact CZ-OE2 3.26Å; R16-E362 VanDerWaalsContact CZ-OE2 3.26Å; R16-E362 IonicContact NH1-OE1 2.86Å; R16-E362 PolarHBondContact NH1-OE1 3.35Å; R16-E362 IonicContact NH1-OE2 2.99Å; R16-E362 PolarHBondContact NH1-OE2 2.84Å; R16-E362 IonicContact NH2-OE1 3.89Å; R16-E362 IonicContact NH2-OE2 2.66Å; R16-E362 PolarHBondContact NH2-OE2 3.22Å
17S74.5Confident79.4Confident60 Ų6058.6 Ų58.642%0.4235%0.351SS..Hα-helixtrans-99.2-27.9-174.455.80000113.3R13 C14 S86R13-S17 VanDerWaalsContact O-CB 3.27Å; R13-S17 WeakPolarHBondContact O-CB 3.4Å; R13-S17 PolarHBondContact O-N 2.69Å; R13-S17 PolarHBondContact O-OG 2.89Å; C14-S17 PolarHBondContact O-N 3.33Å; C14-S17 PolarHBondContact O-OG 3.17Å; S17-S86 PolarHBondContact O-OG 3.16Å
18S80Confident81.1Confident31 Ų3157.4 Ų57.422%0.21733%0.327CS..  trans-122.2135.2-169.2-174.30000112.6C14 I20 S86C14-S18 WeakPolarHBondContact O-CB 3.48Å; C14-S18 PolarHBondContact O-N 3.48Å; S18-I20 PolarHBondContact O-N 3.48Å; S18-I20 VanDerWaalsContact O-N 3.15Å; S18-I20 WeakPolarHBondContact OG-CB 3.43Å; S18-I20 WeakPolarHBondContact OG-CD1 3.44Å; S18-I20 WeakPolarHBondContact OG-CG1 3.18Å; S18-I20 PolarHBondContact OG-N 3.13Å; S18-S86 VanDerWaalsContact C-OG 3.29Å
19P83Confident82.8Confident39 Ų3954.1 Ų54.125%0.25331%0.309SS..THydrogen-bonded Turntrans-69.7-6.5174.731-36.1000112.7A21 S22 L23 A83P19-A21 VanDerWaalsContact C-N 3.27Å; P19-A21 PolarHBondContact O-N 3.37Å; P19-S22 PolarHBondContact O-N 3.21Å; P19-S22 VanDerWaalsContact O-N 3.17Å; P19-S22 PolarHBondContact O-OG 3.38Å; P19-L23 PolarHBondContact O-N 3.02Å; P19-A83 HydrophobicContact CB-CB 4.03Å
20I86.4Confident83.7Confident109 Ų10952.1 Ų52.156%0.55930%0.298SS*.Hα-helixtrans-55.9-40.9-176.9-66.8168.4000111.6S18 S22 L23 V24S18-I20 PolarHBondContact O-N 3.48Å; S18-I20 VanDerWaalsContact O-N 3.15Å; S18-I20 WeakPolarHBondContact OG-CB 3.43Å; S18-I20 WeakPolarHBondContact OG-CD1 3.44Å; S18-I20 WeakPolarHBondContact OG-CG1 3.18Å; S18-I20 PolarHBondContact OG-N 3.13Å; I20-S22 PolarHBondContact O-N 2.7Å; I20-L23 WeakPolarHBondContact O-CB 3.29Å; I20-L23 PolarHBondContact O-N 2.68Å; I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 WeakPolarHBondContact O-CG2 3.1Å; I20-V24 PolarHBondContact O-N 3.43Å
21A87.1Confident84.6Confident14 Ų1452.9 Ų52.912%0.11629%0.294CS..Hα-helixtrans-66.2-40.1-178.900000112.9L15 P19 L23 V24 G25L15-A21 HydrophobicContact CD2-CB 3.25Å; P19-A21 VanDerWaalsContact C-N 3.27Å; P19-A21 PolarHBondContact O-N 3.37Å; A21-L23 VanDerWaalsContact C-N 3.33Å; A21-V24 PolarHBondContact O-N 3.46Å; A21-G25 PolarHBondContact O-N 3.23Å
22S89.6Confident85.6Confident2 Ų249.1 Ų49.11%0.01427%0.269CS..Hα-helixtrans-69.1-32.7174660000112.3P19 I20 G25 F26 C82P19-S22 PolarHBondContact O-N 3.21Å; P19-S22 VanDerWaalsContact O-N 3.17Å; P19-S22 PolarHBondContact O-OG 3.38Å; I20-S22 PolarHBondContact O-N 2.7Å; S22-G25 PolarHBondContact O-N 2.67Å; S22-F26 WeakPolarHBondContact O-CB 3.23Å; S22-F26 PolarHBondContact O-N 3.32Å; S22-C82 WeakPolarHBondContact CB-SG 3.42Å
23L91.9Very high86.6Confident63 Ų6346.7 Ų46.733%0.3326%0.255SS..Hα-helixtrans-65.3-44.1173.2179.9155.1000110.9P19 I20 A21 G25 F26 I27 Y79P19-L23 PolarHBondContact O-N 3.02Å; I20-L23 WeakPolarHBondContact O-CB 3.29Å; I20-L23 PolarHBondContact O-N 2.68Å; A21-L23 VanDerWaalsContact C-N 3.33Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 2.77Å; L23-F26 WeakPolarHBondContact O-CB 3.49Å; L23-F26 PolarHBondContact O-N 2.83Å; L23-I27 HydrophobicContact CD2-CD1 3.45Å; L23-I27 VanDerWaalsContact CD2-CD1 3.45Å; L23-I27 HydrophobicContact CD2-CG1 4.2Å; L23-I27 HydrophobicContact CG-CD1 4.45Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 3.49Å; L23-Y79 HydrophobicContact CB-CD2 4.38Å; L23-Y79 HydrophobicContact CB-CE2 3.65Å; L23-Y79 HydrophobicContact CG-CE2 4.43Å
24V92.6Very high87.7Confident67 Ų6743.8 Ų43.841%0.40626%0.256SS..Hα-helixtrans-60.4-45174.2171.80000110.3I20 A21 F26 I27 I28I20-V24 HydrophobicContact CG2-CG2 4.44Å; I20-V24 WeakPolarHBondContact O-CG2 3.1Å; I20-V24 PolarHBondContact O-N 3.43Å; A21-V24 PolarHBondContact O-N 3.46Å; V24-F26 VanDerWaalsContact C-N 3.34Å; V24-F26 PolarHBondContact O-N 2.78Å; V24-I27 PolarHBondContact O-N 3.43Å; V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.46Å; V24-I28 VanDerWaalsContact O-CG1 3.28Å; V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 2.93Å
25G92.3Very high88.7Confident0 Ų041.9 Ų41.90%025%0.246CC..Hα-helixtrans-56.3-46.1173.400000112.5A21 S22 L23 I28 V29A21-G25 PolarHBondContact O-N 3.23Å; S22-G25 PolarHBondContact O-N 2.67Å; L23-G25 VanDerWaalsContact C-N 3.32Å; L23-G25 PolarHBondContact O-N 2.77Å; G25-I28 PolarHBondContact O-N 2.97Å; G25-V29 WeakPolarHBondContact O-CG2 3.37Å; G25-V29 PolarHBondContact O-N 3.16Å
26F93.9Very high89.8Confident33 Ų3340.3 Ų40.315%0.14524%0.237CC..Hα-helixtrans-60.4-46.1176171.6-111000112.9S22 L23 V24 I28 V29 L30 L76 Y79S22-F26 WeakPolarHBondContact O-CB 3.23Å; S22-F26 PolarHBondContact O-N 3.32Å; L23-F26 WeakPolarHBondContact O-CB 3.49Å; L23-F26 PolarHBondContact O-N 2.83Å; V24-F26 VanDerWaalsContact C-N 3.34Å; V24-F26 PolarHBondContact O-N 2.78Å; F26-I28 VanDerWaalsContact C-N 3.31Å; F26-I28 PolarHBondContact O-N 2.94Å; F26-V29 PolarHBondContact O-N 2.9Å; F26-L30 HydrophobicContact CD1-CD1 4.25Å; F26-L30 HydrophobicContact CD2-CG 4.43Å; F26-L30 HydrophobicContact CE1-CD1 3.57Å; F26-L30 HydrophobicContact CE1-CG 4.29Å; F26-L30 HydrophobicContact CE2-CD1 4.07Å; F26-L30 HydrophobicContact CE2-CD2 4.08Å; F26-L30 HydrophobicContact CE2-CG 3.99Å; F26-L30 HydrophobicContact CZ-CD1 3.48Å; F26-L30 VanDerWaalsContact CZ-CD1 3.48Å; F26-L30 HydrophobicContact CZ-CD2 4.18Å; F26-L30 HydrophobicContact CZ-CG 3.93Å; F26-L30 PolarHBondContact O-N 3.49Å; F26-L76 HydrophobicContact CE2-CB 3.96Å; F26-L76 HydrophobicContact CE2-CD1 4.31Å; F26-L76 HydrophobicContact CZ-CB 4.34Å; F26-L76 HydrophobicContact CZ-CD1 3.95Å; F26-Y79 HydrophobicContact CB-CD2 4.47Å; F26-Y79 HydrophobicContact CB-CG 4.34Å; F26-Y79 HydrophobicContact CG-CG 4.46Å
27I95.1Very high90.8Very high81 Ų8139.3 Ų39.342%0.41524%0.235SC..Hα-helixtrans-60-43.7176.3-68.9174.9000110.6L23 V24 V29 L30 L31L23-I27 HydrophobicContact CD2-CD1 3.45Å; L23-I27 VanDerWaalsContact CD2-CD1 3.45Å; L23-I27 HydrophobicContact CD2-CG1 4.2Å; L23-I27 HydrophobicContact CG-CD1 4.45Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 3.49Å; V24-I27 PolarHBondContact O-N 3.43Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 3.06Å; I27-L30 PolarHBondContact O-N 3.49Å; I27-L31 HydrophobicContact CG2-CD1 3.95Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 2.84Å
28I95.3Very high91.6Very high47 Ų4738.4 Ų38.424%0.24124%0.235CC..Hα-helixtrans-61.8-41.1177.6-68.8167.8000110.9V24 G25 F26 L31 G32 L341V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.46Å; V24-I28 VanDerWaalsContact O-CG1 3.28Å; V24-I28 WeakPolarHBondContact O-CG1 3.36Å; V24-I28 PolarHBondContact O-N 2.93Å; G25-I28 PolarHBondContact O-N 2.97Å; F26-I28 VanDerWaalsContact C-N 3.31Å; F26-I28 PolarHBondContact O-N 2.94Å; I28-L31 PolarHBondContact O-N 2.96Å; I28-G32 PolarHBondContact O-N 3.46Å; I28-L341 HydrophobicContact CG2-CB 4.31Å; I28-L341 HydrophobicContact CG2-CD2 4.33Å; I28-L341 WeakPolarHBondContact CG2-O 3.34Å
29V95.1Very high92.2Very high0 Ų037.4 Ų37.40%023%0.229CC..Hα-helixtrans-62-44.1174.6172.90000111.1G25 F26 I27 G32 G33 I71 L342 Y346 I349G25-V29 WeakPolarHBondContact O-CG2 3.37Å; G25-V29 PolarHBondContact O-N 3.16Å; F26-V29 PolarHBondContact O-N 2.9Å; I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 3.06Å; V29-G32 PolarHBondContact O-N 3.22Å; V29-G33 PolarHBondContact O-N 3.37Å; V29-I71 HydrophobicContact CG1-CG2 3.85Å; V29-L342 HydrophobicContact CB-CD2 4.41Å; V29-L342 HydrophobicContact CG1-CD2 3.71Å; V29-L342 VanDerWaalsContact O-CD2 3.22Å; V29-L342 WeakPolarHBondContact O-CD2 3.46Å; V29-Y346 HydrophobicContact CG1-CE2 4.12Å; V29-Y346 HydrophobicContact CG2-CD1 4.49Å; V29-Y346 HydrophobicContact CG2-CD2 4.24Å; V29-Y346 HydrophobicContact CG2-CE2 4.41Å; V29-Y346 HydrophobicContact CG2-CG 4.28Å; V29-I349 HydrophobicContact CG2-CD1 4.22Å
30L94.8Very high92.5Very high82 Ų8235.7 Ų35.743%0.42922%0.217SC..Hα-helixtrans-63.5-43.4177.5-69.6-176.6000112.3F26 I27 G34F26-L30 HydrophobicContact CD1-CD1 4.25Å; F26-L30 HydrophobicContact CD2-CG 4.43Å; F26-L30 HydrophobicContact CE1-CD1 3.57Å; F26-L30 HydrophobicContact CE1-CG 4.29Å; F26-L30 HydrophobicContact CE2-CD1 4.07Å; F26-L30 HydrophobicContact CE2-CD2 4.08Å; F26-L30 HydrophobicContact CE2-CG 3.99Å; F26-L30 HydrophobicContact CZ-CD1 3.48Å; F26-L30 VanDerWaalsContact CZ-CD1 3.48Å; F26-L30 HydrophobicContact CZ-CD2 4.18Å; F26-L30 HydrophobicContact CZ-CG 3.93Å; F26-L30 PolarHBondContact O-N 3.49Å; I27-L30 PolarHBondContact O-N 3.49Å; L30-G34 PolarHBondContact O-N 2.86Å
31L95.5Very high92.6Very high112 Ų11231.5 Ų31.559%0.58620%0.196SC*.Hα-helixtrans-63.8-45.2176.5-70.8174.3000111.3I27 I28 A35I27-L31 HydrophobicContact CG2-CD1 3.95Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CG 3.21Å; I27-L31 PolarHBondContact O-N 2.84Å; I28-L31 PolarHBondContact O-N 2.96Å; L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.16Å; L31-A35 PolarHBondContact O-N 3.39Å
32G94.1Very high92.8Very high0 Ų036.6 Ų36.60%022%0.215CC..Hα-helixtrans-63.9-45.7177.700000112.7I28 V29 A35 F36 G338I28-G32 PolarHBondContact O-N 3.46Å; V29-G32 PolarHBondContact O-N 3.22Å; G32-A35 PolarHBondContact O-N 3.03Å; G32-F36 VanDerWaalsContact O-CB 3.31Å; G32-F36 WeakPolarHBondContact O-CB 3.43Å; G32-F36 PolarHBondContact O-N 3.02Å; G32-G338 CarbonylContact C-O 3.52Å; G32-G338 WeakPolarHBondContact CA-O 3.33Å; G32-G338 WeakPolarHBondContact O-CA 3.39Å
33G93.1Very high92.7Very high3 Ų336.6 Ų36.63%0.03122%0.216CC..Hα-helixtrans-65.7-41.2177.800000112.7V29 G37V29-G33 PolarHBondContact O-N 3.37Å; G33-G37 PolarHBondContact O-N 2.99Å
34G93.4Very high92.4Very high40 Ų4034.6 Ų34.641%0.41220%0.204SC..Hα-helixtrans-64.6-44.917400000112.6L30 G38L30-G34 PolarHBondContact O-N 2.86Å; G34-G38 PolarHBondContact O-N 3.2Å
35A93.7Very high92.1Very high39 Ų3938.1 Ų38.132%0.32221%0.21SC..Hα-helixtrans-62-46.9176.300000111.6L31 G32 A39L31-A35 VanDerWaalsContact O-CB 3.23Å; L31-A35 WeakPolarHBondContact O-CB 3.16Å; L31-A35 PolarHBondContact O-N 3.39Å; G32-A35 PolarHBondContact O-N 3.03Å; A35-A39 WeakPolarHBondContact O-CB 3.14Å; A35-A39 PolarHBondContact O-N 3.25Å
36F93Very high91.7Very high0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-60.4-53176.3171.1-99.8000112.2G32 A39 I40 I64 L67 A125 A335 I339G32-F36 VanDerWaalsContact O-CB 3.31Å; G32-F36 WeakPolarHBondContact O-CB 3.43Å; G32-F36 PolarHBondContact O-N 3.02Å; F36-A39 PolarHBondContact O-N 3.13Å; F36-I40 HydrophobicContact CD1-CD1 4.38Å; F36-I40 HydrophobicContact CD2-CD1 3.9Å; F36-I40 HydrophobicContact CE1-CD1 3.79Å; F36-I40 HydrophobicContact CE2-CD1 3.25Å; F36-I40 HydrophobicContact CE2-CG1 4.31Å; F36-I40 HydrophobicContact CG-CD1 4.43Å; F36-I40 HydrophobicContact CZ-CD1 3.18Å; F36-I40 HydrophobicContact CZ-CG1 4.5Å; F36-I40 WeakPolarHBondContact O-CG1 3.3Å; F36-I40 PolarHBondContact O-N 3.49Å; F36-I40 VanDerWaalsContact O-N 3.09Å; F36-I64 HydrophobicContact CE1-CD1 4Å; F36-I64 HydrophobicContact CZ-CD1 4.45Å; F36-L67 HydrophobicContact CE1-CD2 3.82Å; F36-L67 HydrophobicContact CZ-CD2 4.49Å; F36-A125 HydrophobicContact CE1-CB 4.16Å; F36-A125 HydrophobicContact CE2-CB 3.88Å; F36-A125 HydrophobicContact CZ-CB 3.54Å; F36-A335 HydrophobicContact CD2-CB 4.26Å; F36-I339 HydrophobicContact CD2-CD1 3.95Å; F36-I339 HydrophobicContact CD2-CG1 3.59Å; F36-I339 HydrophobicContact CE2-CD1 3.83Å; F36-I339 HydrophobicContact CE2-CG1 3.89Å; F36-I339 HydrophobicContact CG-CG1 4.42Å
37G92.1Very high91.1Very high3 Ų339 Ų393%0.03121%0.212CC..Hα-helixtrans-64.3-46.3-177.900000112.6G33 I40 I41G33-G37 PolarHBondContact O-N 2.99Å; G37-I40 PolarHBondContact O-N 3.3Å; G37-I41 VanDerWaalsContact O-CG1 3.3Å; G37-I41 WeakPolarHBondContact O-CG1 3.02Å; G37-I41 PolarHBondContact O-N 3.25Å
38G92Very high90.5Very high42 Ų4236.9 Ų36.943%0.43320%0.202SC..Hα-helixtrans-61.5-44.3177.600000112.3G34 I40 I41 F42G34-G38 PolarHBondContact O-N 3.2Å; G38-I40 PolarHBondContact O-N 3.32Å; G38-I41 PolarHBondContact O-N 2.9Å; G38-F42 VanDerWaalsContact O-CB 3.3Å; G38-F42 WeakPolarHBondContact O-CB 3.43Å; G38-F42 PolarHBondContact O-N 2.7Å
39A91.7Very high89.8Confident9 Ų939.6 Ų39.67%0.07422%0.221CC..Hα-helixtrans-63.6-41.6179.100000112.5A35 F36 A43 C331 L334 A335A35-A39 WeakPolarHBondContact O-CB 3.14Å; A35-A39 PolarHBondContact O-N 3.25Å; F36-A39 PolarHBondContact O-N 3.13Å; A39-A43 WeakPolarHBondContact O-CB 3.42Å; A39-A43 PolarHBondContact O-N 3.44Å; A39-C331 WeakPolarHBondContact CB-O 3.42Å; A39-L334 HydrophobicContact CB-CB 4.03Å; A39-A335 HydrophobicContact CB-CB 3.95Å
40I89.7Confident88.9Confident4 Ų440.2 Ų40.22%0.02122%0.224CC..Hα-helixtrans-68.6-44178-69.1179.7000111.8F36 G37 G38 F42 A43 R44 L60 I64 V132 A335F36-I40 HydrophobicContact CD1-CD1 4.38Å; F36-I40 HydrophobicContact CD2-CD1 3.9Å; F36-I40 HydrophobicContact CE1-CD1 3.79Å; F36-I40 HydrophobicContact CE2-CD1 3.25Å; F36-I40 HydrophobicContact CE2-CG1 4.31Å; F36-I40 HydrophobicContact CG-CD1 4.43Å; F36-I40 HydrophobicContact CZ-CD1 3.18Å; F36-I40 HydrophobicContact CZ-CG1 4.5Å; F36-I40 WeakPolarHBondContact O-CG1 3.3Å; F36-I40 PolarHBondContact O-N 3.49Å; F36-I40 VanDerWaalsContact O-N 3.09Å; G37-I40 PolarHBondContact O-N 3.3Å; G38-I40 PolarHBondContact O-N 3.32Å; I40-F42 VanDerWaalsContact C-N 3.32Å; I40-F42 PolarHBondContact O-N 3.46Å; I40-A43 PolarHBondContact O-N 3.41Å; I40-R44 WeakPolarHBondContact O-CB 3.16Å; I40-R44 PolarHBondContact O-N 3.27Å; I40-L60 HydrophobicContact CG2-CD2 3.87Å; I40-L60 HydrophobicContact CG2-CG 4.49Å; I40-I64 HydrophobicContact CB-CD1 4.16Å; I40-I64 HydrophobicContact CB-CG1 4.47Å; I40-I64 HydrophobicContact CD1-CD1 3.86Å; I40-I64 HydrophobicContact CG2-CD1 3.87Å; I40-I64 HydrophobicContact CG2-CG1 3.91Å; I40-V132 HydrophobicContact CG2-CG2 4.44Å; I40-A335 HydrophobicContact CG1-CB 4.32Å
41I89.9Confident88Confident20 Ų2036.6 Ų36.610%0.10321%0.205CC..Hα-helixtrans-61.8-44.8178.4-68.4165.8000109.9G37 G38 R44 R45 I64 Y65G37-I41 VanDerWaalsContact O-CG1 3.3Å; G37-I41 WeakPolarHBondContact O-CG1 3.02Å; G37-I41 PolarHBondContact O-N 3.25Å; G38-I41 PolarHBondContact O-N 2.9Å; I41-R44 PolarHBondContact O-N 3.14Å; I41-R45 WeakPolarHBondContact O-CG 3.37Å; I41-R45 PolarHBondContact O-N 2.82Å; I41-I64 HydrophobicContact CD1-CB 4.46Å; I41-I64 HydrophobicContact CD1-CG2 3.76Å; I41-I64 HydrophobicContact CG1-CB 4.33Å; I41-I64 HydrophobicContact CG1-CG2 3.9Å; I41-Y65 HydrophobicContact CD1-CD1 4.21Å; I41-Y65 HydrophobicContact CD1-CE1 3.63Å; I41-Y65 HydrophobicContact CD1-CE2 4.49Å
42F89.9Confident87Confident121 Ų12138 Ų3853%0.53121%0.213SC..Hα-helixtrans-64-46.4177.5-170.3-87.7000111.4G38 I40 R44 R45 Y46 C331G38-F42 VanDerWaalsContact O-CB 3.3Å; G38-F42 WeakPolarHBondContact O-CB 3.43Å; G38-F42 PolarHBondContact O-N 2.7Å; I40-F42 VanDerWaalsContact C-N 3.32Å; I40-F42 PolarHBondContact O-N 3.46Å; F42-R44 VanDerWaalsContact C-N 3.3Å; F42-R44 PolarHBondContact O-N 3.39Å; F42-R45 PolarHBondContact O-N 2.77Å; F42-Y46 HydrophobicContact CE1-CD2 4.43Å; F42-Y46 WeakPolarHBondContact O-CB 3.47Å; F42-Y46 PolarHBondContact O-N 2.99Å; F42-C331 WeakPolarHBondContact CD1-SG 3.33Å
43A87.3Confident86.1Confident2 Ų238.3 Ų38.32%0.01722%0.216CC..Hα-helixtrans-57.7-42.1176.400000112A39 I40 Y46 L47 V132 C331A39-A43 WeakPolarHBondContact O-CB 3.42Å; A39-A43 PolarHBondContact O-N 3.44Å; I40-A43 PolarHBondContact O-N 3.41Å; A43-Y46 PolarHBondContact O-N 2.96Å; A43-L47 VanDerWaalsContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 PolarHBondContact O-N 3.42Å; A43-V132 HydrophobicContact CB-CG1 3.62Å; A43-C331 HydrophobicContact CB-CB 3.82Å
44R85.8Confident85.2Confident22 Ų2242.1 Ų42.18%0.08324%0.24CC..Hα-helixtrans-63.4-48.6175.7173.9174.4171.8-92.3-5.2112.2I40 I41 F42 Y46 L47 I48 L56 F57 L60 D61I40-R44 WeakPolarHBondContact O-CB 3.16Å; I40-R44 PolarHBondContact O-N 3.27Å; I41-R44 PolarHBondContact O-N 3.14Å; F42-R44 VanDerWaalsContact C-N 3.3Å; F42-R44 PolarHBondContact O-N 3.39Å; R44-Y46 PolarHBondContact O-N 3.08Å; R44-L47 WeakPolarHBondContact O-CB 3.41Å; R44-L47 PolarHBondContact O-N 3.47Å; R44-L47 VanDerWaalsContact O-N 3.1Å; R44-I48 HydrophobicContact CG-CD1 3.96Å; R44-I48 HydrophobicContact CG-CG1 4.44Å; R44-I48 WeakPolarHBondContact O-CG1 3.09Å; R44-I48 PolarHBondContact O-N 3.28Å; R44-L56 PolarHBondContact NE-O 3.49Å; R44-L56 PolarHBondContact NH2-O 2.78Å; R44-L56 VanDerWaalsContact NH2-O 3.15Å; R44-F57 PolarHBondContact NE-O 3.15Å; R44-F57 PolarHBondContact NH2-O 2.77Å; R44-L60 HydrophobicContact CB-CD2 4.1Å; R44-L60 HydrophobicContact CG-CD2 4.32Å; R44-D61 WeakPolarHBondContact CD-OD1 3.05Å; R44-D61 IonicContact CZ-OD1 3.69Å; R44-D61 IonicContact NE-OD1 3.87Å; R44-D61 IonicContact NH1-OD1 2.83Å; R44-D61 PolarHBondContact NH1-OD1 2.84Å; R44-D61 IonicContact NH1-OD2 2.8Å; R44-D61 PolarHBondContact NH1-OD2 3.21Å
45R86.2Confident84.3Confident141 Ų14145.5 Ų45.553%0.53225%0.249SC..Hα-helixtrans-59.5-40.9179.2-73.7-179.9179.4-165.30111.5I41 F42 I48 T49I41-R45 WeakPolarHBondContact O-CG 3.37Å; I41-R45 PolarHBondContact O-N 2.82Å; F42-R45 PolarHBondContact O-N 2.77Å; R45-I48 PolarHBondContact O-N 2.83Å; R45-T49 PolarHBondContact O-N 3.25Å; R45-T49 PolarHBondContact O-OG1 3.12Å
46Y83.6Confident83.2Confident47 Ų4744.8 Ų44.818%0.18424%0.239CC..Hα-helixtrans-63.8-43.8174.8-163.2-87.3000111.3F42 A43 R44 I48 T49 L50 R324 D327 I328F42-Y46 HydrophobicContact CE1-CD2 4.43Å; F42-Y46 WeakPolarHBondContact O-CB 3.47Å; F42-Y46 PolarHBondContact O-N 2.99Å; A43-Y46 PolarHBondContact O-N 2.96Å; R44-Y46 PolarHBondContact O-N 3.08Å; Y46-I48 PolarHBondContact O-N 2.88Å; Y46-T49 WeakPolarHBondContact O-CB 3.38Å; Y46-T49 PolarHBondContact O-N 3.18Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; Y46-L50 WeakPolarHBondContact O-CB 3.3Å; Y46-L50 PolarHBondContact O-N 2.89Å; Y46-R324 HydrophobicContact CE1-CB 4Å; Y46-R324 HydrophobicContact CE1-CG 4.49Å; Y46-R324 VanDerWaalsContact CE1-O 3.27Å; Y46-R324 WeakPolarHBondContact CE1-O 3.35Å; Y46-R324 WeakPolarHBondContact OH-CA 3.36Å; Y46-R324 WeakPolarHBondContact OH-CB 3.37Å; Y46-R324 WeakPolarHBondContact OH-CG 3.5Å; Y46-D327 HydrophobicContact CE1-CB 4.12Å; Y46-D327 HydrophobicContact CE2-CB 3.91Å; Y46-D327 WeakPolarHBondContact CE2-OD2 3.26Å; Y46-D327 VanDerWaalsContact CZ-OD2 3.29Å; Y46-D327 PolarHBondContact OH-OD2 3.48Å; Y46-I328 HydrophobicContact CD1-CD1 3.81Å; Y46-I328 HydrophobicContact CD1-CG1 3.44Å; Y46-I328 VanDerWaalsContact CD1-CG1 3.44Å; Y46-I328 HydrophobicContact CE1-CD1 4.12Å; Y46-I328 HydrophobicContact CE1-CG1 3.82Å; Y46-I328 HydrophobicContact CG-CG1 4.4Å
47L81.8Confident82.5Confident3 Ų348.2 Ų48.22%0.01625%0.254CS..Hα-helixtrans-63.4-39.2178.2-166.268.3000112.7A43 R44 T49 L50 L51 L56 I135 L139 I328A43-L47 VanDerWaalsContact O-CB 3.24Å; A43-L47 WeakPolarHBondContact O-CB 3.24Å; A43-L47 PolarHBondContact O-N 3.42Å; R44-L47 WeakPolarHBondContact O-CB 3.41Å; R44-L47 PolarHBondContact O-N 3.47Å; R44-L47 VanDerWaalsContact O-N 3.1Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.75Å; L47-L50 HydrophobicContact CD1-CD2 4.5Å; L47-L50 PolarHBondContact O-N 2.86Å; L47-L51 HydrophobicContact CD1-CD1 3.42Å; L47-L51 VanDerWaalsContact CD1-CD1 3.42Å; L47-L51 HydrophobicContact CG-CD1 3.89Å; L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 WeakPolarHBondContact O-CD1 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å; L47-L56 HydrophobicContact CB-CD2 4.28Å; L47-L56 HydrophobicContact CD2-CD2 3.43Å; L47-L56 VanDerWaalsContact CD2-CD2 3.43Å; L47-L56 HydrophobicContact CG-CD2 3.55Å; L47-I135 HydrophobicContact CD1-CG2 3.63Å; L47-I135 HydrophobicContact CD2-CB 4.25Å; L47-I135 HydrophobicContact CD2-CD1 3.76Å; L47-I135 HydrophobicContact CD2-CG2 4.08Å; L47-I135 HydrophobicContact CG-CG2 4.41Å; L47-L139 HydrophobicContact CD1-CD1 4.22Å; L47-I328 HydrophobicContact CD1-CD1 4.13Å
48I82.5Confident81.9Confident37 Ų3750.9 Ų50.919%0.1927%0.271CS..Hα-helixtrans-59-45.4173.2-71.3165.2000110.6R44 R45 Y46 L50 N52 A53 L56R44-I48 HydrophobicContact CG-CD1 3.96Å; R44-I48 HydrophobicContact CG-CG1 4.44Å; R44-I48 WeakPolarHBondContact O-CG1 3.09Å; R44-I48 PolarHBondContact O-N 3.28Å; R45-I48 PolarHBondContact O-N 2.83Å; Y46-I48 PolarHBondContact O-N 2.88Å; I48-L50 VanDerWaalsContact C-N 3.35Å; I48-N52 WeakPolarHBondContact O-CA 3.49Å; I48-N52 PolarHBondContact O-N 2.93Å; I48-A53 PolarHBondContact O-N 3.01Å; I48-L56 HydrophobicContact CG1-CB 4.12Å
49T80.9Confident81.6Confident105 Ų10557.6 Ų57.664%0.64429%0.285SS*.Hα-helixtrans-66.3-38.7178.2-52.60000111.5R45 Y46 L47R45-T49 PolarHBondContact O-N 3.25Å; R45-T49 PolarHBondContact O-OG1 3.12Å; Y46-T49 WeakPolarHBondContact O-CB 3.38Å; Y46-T49 PolarHBondContact O-N 3.18Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.75Å
50L76.3Confident81.3Confident12 Ų1258 Ų586%0.06329%0.286CS..Hα-helixtrans-69.1-44.4-179.7-179.367.3000112.2Y46 L47 I48 L139 I316 R324 I328Y46-L50 WeakPolarHBondContact O-CB 3.3Å; Y46-L50 PolarHBondContact O-N 2.89Å; L47-L50 HydrophobicContact CD1-CD2 4.5Å; L47-L50 PolarHBondContact O-N 2.86Å; I48-L50 VanDerWaalsContact C-N 3.35Å; L50-L139 HydrophobicContact CD2-CD1 3.85Å; L50-I316 HydrophobicContact CD1-CG2 4.49Å; L50-I316 HydrophobicContact CG-CD1 4.3Å; L50-R324 HydrophobicContact CD1-CB 3.84Å; L50-R324 HydrophobicContact CD1-CG 4.23Å; L50-I328 HydrophobicContact CD2-CD1 3.64Å
51L75.9Confident81.2Confident6 Ų659 Ų593%0.03129%0.291CS..Hα-helixtrans-88.9-5.1-176.8-83.572.6000113.3L47 A53 L56 L306 I314 I316L47-L51 HydrophobicContact CD1-CD1 3.42Å; L47-L51 VanDerWaalsContact CD1-CD1 3.42Å; L47-L51 HydrophobicContact CG-CD1 3.89Å; L47-L51 WeakPolarHBondContact O-CB 3.47Å; L47-L51 WeakPolarHBondContact O-CD1 3.32Å; L47-L51 PolarHBondContact O-N 3.38Å; L51-A53 HydrophobicContact CB-CB 4.03Å; L51-A53 PolarHBondContact O-N 3.37Å; L51-A53 VanDerWaalsContact O-N 3.16Å; L51-L56 HydrophobicContact CD2-CD2 4.12Å; L51-L306 HydrophobicContact CD2-CD2 3.35Å; L51-I314 HydrophobicContact CB-CD1 4.48Å; L51-I314 HydrophobicContact CB-CG2 4.42Å; L51-I314 HydrophobicContact CD2-CD1 4.37Å; L51-I314 HydrophobicContact CG-CG2 4.49Å; L51-I314 WeakPolarHBondContact O-CG2 3.46Å; L51-I316 HydrophobicContact CD1-CD1 4.1Å; L51-I316 HydrophobicContact CG-CD1 4.14Å
52N74.4Confident81.3Confident142 Ų14266.3 Ų66.376%0.75932%0.318SS*.THydrogen-bonded Turntrans50.634.7-171.5-163.132.3000112.7I48 P54I48-N52 WeakPolarHBondContact O-CA 3.49Å; I48-N52 PolarHBondContact O-N 2.93Å; N52-P54 WeakPolarHBondContact O-CD 3.34Å
53A74.5Confident81.2Confident7 Ų762.9 Ų62.96%0.05831%0.312CS..  trans-117.190.1-173.400000109.8I48 L51 N55 L56 I314I48-A53 PolarHBondContact O-N 3.01Å; L51-A53 HydrophobicContact CB-CB 4.03Å; L51-A53 PolarHBondContact O-N 3.37Å; L51-A53 VanDerWaalsContact O-N 3.16Å; A53-N55 PolarHBondContact O-N 3.34Å; A53-L56 HydrophobicContact CB-CB 4.29Å; A53-L56 WeakPolarHBondContact O-CB 3.41Å; A53-L56 PolarHBondContact O-N 3Å; A53-I314 HydrophobicContact CB-CD1 4.06Å
54P74.8Confident81.4Confident83 Ų8362.8 Ų62.854%0.53931%0.312SS..THydrogen-bonded Turntrans-64.2-27.3-174.924.7-33.9000113.1N52 L56N52-P54 WeakPolarHBondContact O-CD 3.34Å; P54-L56 VanDerWaalsContact C-N 3.29Å; P54-L56 PolarHBondContact O-N 3.48Å
55N74.7Confident81.7Confident110 Ų11068 Ų6859%0.58833%0.332SS*.THydrogen-bonded Turntrans-89.816.4-178.7-63.8-28.5000113.4A53 F57 P58A53-N55 PolarHBondContact O-N 3.34Å; N55-F57 PolarHBondContact O-N 3.08Å; N55-P58 WeakPolarHBondContact O-CD 3.5Å
56L71.4Confident82Confident24 Ų2463.4 Ų63.413%0.12633%0.329CS..SBendtrans-73.3112.4178.6-163.667.6000110.1R44 L47 I48 L51 A53 P54R44-L56 PolarHBondContact NE-O 3.49Å; R44-L56 PolarHBondContact NH2-O 2.78Å; R44-L56 VanDerWaalsContact NH2-O 3.15Å; L47-L56 HydrophobicContact CB-CD2 4.28Å; L47-L56 HydrophobicContact CD2-CD2 3.43Å; L47-L56 VanDerWaalsContact CD2-CD2 3.43Å; L47-L56 HydrophobicContact CG-CD2 3.55Å; I48-L56 HydrophobicContact CG1-CB 4.12Å; L51-L56 HydrophobicContact CD2-CD2 4.12Å; A53-L56 HydrophobicContact CB-CB 4.29Å; A53-L56 WeakPolarHBondContact O-CB 3.41Å; A53-L56 PolarHBondContact O-N 3Å; P54-L56 VanDerWaalsContact C-N 3.29Å; P54-L56 PolarHBondContact O-N 3.48Å
57F77.5Confident82.4Confident72 Ų7261.7 Ų61.732%0.31632%0.323SS..SBendtrans47.463.5-178.2-49.5-68.6000114R44 N55 Y59 L60 P131 I135R44-F57 PolarHBondContact NE-O 3.15Å; R44-F57 PolarHBondContact NH2-O 2.77Å; N55-F57 PolarHBondContact O-N 3.08Å; F57-Y59 PolarHBondContact O-N 3.06Å; F57-Y59 VanDerWaalsContact O-N 3.09Å; F57-L60 HydrophobicContact CB-CB 3.89Å; F57-L60 HydrophobicContact CB-CD2 4.5Å; F57-L60 WeakPolarHBondContact O-CB 3.28Å; F57-L60 PolarHBondContact O-N 3.39Å; F57-L60 VanDerWaalsContact O-N 3.07Å; F57-P131 HydrophobicContact CD1-CB 4.33Å; F57-P131 HydrophobicContact CD2-CB 4.44Å; F57-P131 HydrophobicContact CE1-CB 3.64Å; F57-P131 HydrophobicContact CE1-CG 4.41Å; F57-P131 HydrophobicContact CE2-CB 3.78Å; F57-P131 HydrophobicContact CZ-CB 3.34Å; F57-P131 HydrophobicContact CZ-CG 4.44Å; F57-I135 HydrophobicContact CE2-CD1 3.67Å; F57-I135 HydrophobicContact CZ-CD1 3.96Å
58P78.4Confident82.9Confident60 Ų6063.6 Ų63.639%0.3934%0.335SS..THydrogen-bonded Turntrans-60.9-28.1-170.825.7-33.6000113.2N55N55-P58 WeakPolarHBondContact O-CD 3.5Å
59Y85.6Confident83.4Confident183 Ų18363.9 Ų63.972%0.71835%0.347SS*.THydrogen-bonded Turntrans-91.8-2.3-178.1-57.1-68.2000114.7F57 D61 Y62 A63F57-Y59 PolarHBondContact O-N 3.06Å; F57-Y59 VanDerWaalsContact O-N 3.09Å; Y59-D61 PolarHBondContact O-N 3.5Å; Y59-Y62 HydrophobicContact CD1-CD2 4.41Å; Y59-Y62 PolarHBondContact O-N 2.67Å; Y59-A63 PolarHBondContact O-N 3.33Å; Y59-A63 VanDerWaalsContact O-N 3.08Å
60L86.4Confident83.9Confident18 Ų1860.6 Ų60.69%0.09433%0.33CS..Hα-helixtrans-63.9-42.3-175-163.176.7000111.9I40 R44 F57 Y62 A63 I64 V128 V132I40-L60 HydrophobicContact CG2-CD2 3.87Å; I40-L60 HydrophobicContact CG2-CG 4.49Å; R44-L60 HydrophobicContact CB-CD2 4.1Å; R44-L60 HydrophobicContact CG-CD2 4.32Å; F57-L60 HydrophobicContact CB-CB 3.89Å; F57-L60 HydrophobicContact CB-CD2 4.5Å; F57-L60 WeakPolarHBondContact O-CB 3.28Å; F57-L60 PolarHBondContact O-N 3.39Å; F57-L60 VanDerWaalsContact O-N 3.07Å; L60-Y62 PolarHBondContact O-N 2.99Å; L60-A63 PolarHBondContact O-N 3.15Å; L60-I64 HydrophobicContact CG-CG1 4.49Å; L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 3.44Å; L60-V128 HydrophobicContact CD1-CG1 3.63Å; L60-V128 HydrophobicContact CG-CG1 4.36Å; L60-V132 HydrophobicContact CD2-CG2 4.02Å
61D88Confident84.7Confident25 Ų2560.2 Ų60.213%0.13433%0.329CS..Hα-helixtrans-61-46.5-178.8-69.65.2000110.6R44 Y59 A63 I64 Y65R44-D61 WeakPolarHBondContact CD-OD1 3.05Å; R44-D61 IonicContact CZ-OD1 3.69Å; R44-D61 IonicContact NE-OD1 3.87Å; R44-D61 IonicContact NH1-OD1 2.83Å; R44-D61 PolarHBondContact NH1-OD1 2.84Å; R44-D61 IonicContact NH1-OD2 2.8Å; R44-D61 PolarHBondContact NH1-OD2 3.21Å; Y59-D61 PolarHBondContact O-N 3.5Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 2.96Å; D61-I64 PolarHBondContact O-N 3.28Å; D61-Y65 HydrophobicContact CB-CD2 4.43Å; D61-Y65 HydrophobicContact CB-CE2 4.09Å; D61-Y65 WeakPolarHBondContact O-CD2 3.2Å; D61-Y65 PolarHBondContact O-N 3.11Å
62Y90.4Very high85.6Confident172 Ų17260.8 Ų60.868%0.67534%0.335SS*.Hα-helixtrans-62.8-41.3177.3-58.5-69.7000112.2Y59 L60 I64 Y65 G66Y59-Y62 HydrophobicContact CD1-CD2 4.41Å; Y59-Y62 PolarHBondContact O-N 2.67Å; L60-Y62 PolarHBondContact O-N 2.99Å; Y62-I64 VanDerWaalsContact C-N 3.35Å; Y62-Y65 PolarHBondContact O-N 3.12Å; Y62-G66 PolarHBondContact O-N 2.78Å
63A89.3Confident86.5Confident49 Ų4959.4 Ų59.441%0.40533%0.327SS..Hα-helixtrans-62.7-4217600000111.5Y59 L60 D61 G66 L67Y59-A63 PolarHBondContact O-N 3.33Å; Y59-A63 VanDerWaalsContact O-N 3.08Å; L60-A63 PolarHBondContact O-N 3.15Å; D61-A63 VanDerWaalsContact C-N 3.35Å; D61-A63 PolarHBondContact O-N 2.96Å; A63-G66 PolarHBondContact O-N 3.12Å; A63-L67 WeakPolarHBondContact O-CB 3.4Å; A63-L67 PolarHBondContact O-N 3.2Å
64I91.2Very high87.5Confident1 Ų161 Ų611%0.00533%0.333CS..Hα-helixtrans-66.8-45.4176.8-69.1-68.6000111.5F36 I40 I41 L60 D61 Y62 G66 L67 V68 V128F36-I64 HydrophobicContact CE1-CD1 4Å; F36-I64 HydrophobicContact CZ-CD1 4.45Å; I40-I64 HydrophobicContact CB-CD1 4.16Å; I40-I64 HydrophobicContact CB-CG1 4.47Å; I40-I64 HydrophobicContact CD1-CD1 3.86Å; I40-I64 HydrophobicContact CG2-CD1 3.87Å; I40-I64 HydrophobicContact CG2-CG1 3.91Å; I41-I64 HydrophobicContact CD1-CB 4.46Å; I41-I64 HydrophobicContact CD1-CG2 3.76Å; I41-I64 HydrophobicContact CG1-CB 4.33Å; I41-I64 HydrophobicContact CG1-CG2 3.9Å; L60-I64 HydrophobicContact CG-CG1 4.49Å; L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 3.44Å; D61-I64 PolarHBondContact O-N 3.28Å; Y62-I64 VanDerWaalsContact C-N 3.35Å; I64-G66 VanDerWaalsContact C-N 3.32Å; I64-G66 PolarHBondContact O-N 3.17Å; I64-L67 PolarHBondContact O-N 3.49Å; I64-V68 HydrophobicContact CG2-CG2 4.12Å; I64-V68 WeakPolarHBondContact O-CB 3.37Å; I64-V68 VanDerWaalsContact O-CG2 3.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.43Å; I64-V68 PolarHBondContact O-N 3.47Å; I64-V128 HydrophobicContact CD1-CB 4.43Å; I64-V128 HydrophobicContact CD1-CG1 3.39Å; I64-V128 HydrophobicContact CG1-CG1 3.97Å
65Y92.3Very high88.4Confident130 Ų13057 Ų5751%0.5131%0.308SS..Hα-helixtrans-59.7-44.5176.3-70.3-51.9000111.7I41 D61 Y62 G69I41-Y65 HydrophobicContact CD1-CD1 4.21Å; I41-Y65 HydrophobicContact CD1-CE1 3.63Å; I41-Y65 HydrophobicContact CD1-CE2 4.49Å; D61-Y65 HydrophobicContact CB-CD2 4.43Å; D61-Y65 HydrophobicContact CB-CE2 4.09Å; D61-Y65 WeakPolarHBondContact O-CD2 3.2Å; D61-Y65 PolarHBondContact O-N 3.11Å; Y62-Y65 PolarHBondContact O-N 3.12Å; Y65-G69 PolarHBondContact O-N 2.94Å
66G91.4Very high89.3Confident46 Ų4655.4 Ų55.447%0.47430%0.298SS..Hα-helixtrans-61.9-44.3175.200000112.5Y62 A63 I64 A70Y62-G66 PolarHBondContact O-N 2.78Å; A63-G66 PolarHBondContact O-N 3.12Å; I64-G66 VanDerWaalsContact C-N 3.32Å; I64-G66 PolarHBondContact O-N 3.17Å; G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.23Å; G66-A70 PolarHBondContact O-N 3.16Å
67L91.8Very high90.4Very high11 Ų1158.6 Ų58.66%0.05832%0.315CS..Hα-helixtrans-63.5-51.8179179.263000112F36 A63 I64 G69 A70 I71 W121 I124F36-L67 HydrophobicContact CE1-CD2 3.82Å; F36-L67 HydrophobicContact CZ-CD2 4.49Å; A63-L67 WeakPolarHBondContact O-CB 3.4Å; A63-L67 PolarHBondContact O-N 3.2Å; I64-L67 PolarHBondContact O-N 3.49Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 3.3Å; L67-A70 PolarHBondContact O-N 2.94Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.36Å; L67-I71 HydrophobicContact CG-CD1 3.87Å; L67-I71 WeakPolarHBondContact O-CB 3.36Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.35Å; L67-W121 HydrophobicContact CD1-CE3 3.36Å; L67-W121 HydrophobicContact CD1-CZ3 3.5Å; L67-W121 VanDerWaalsContact CD1-CZ3 3.5Å; L67-I124 HydrophobicContact CD1-CB 4.43Å; L67-I124 HydrophobicContact CD1-CG2 3.8Å; L67-I124 HydrophobicContact CD2-CG2 4.04Å
68V92.6Very high91.1Very high42 Ų4255.2 Ų55.226%0.25530%0.301SS..Hα-helixtrans-63.1-41179.11750000110.7I64 I71 G72I64-V68 HydrophobicContact CG2-CG2 4.12Å; I64-V68 WeakPolarHBondContact O-CB 3.37Å; I64-V68 VanDerWaalsContact O-CG2 3.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.43Å; I64-V68 PolarHBondContact O-N 3.47Å; V68-I71 PolarHBondContact O-N 3.1Å; V68-G72 PolarHBondContact O-N 3.19Å
69G92.8Very high91.8Very high43 Ų4354.6 Ų54.644%0.44329%0.291SS..Hα-helixtrans-61.4-44.9174.600000112.7Y65 L67 G72 L73Y65-G69 PolarHBondContact O-N 2.94Å; L67-G69 VanDerWaalsContact C-N 3.32Å; L67-G69 PolarHBondContact O-N 3.3Å; G69-G72 PolarHBondContact O-N 3.48Å; G69-L73 WeakPolarHBondContact O-CB 3.34Å; G69-L73 PolarHBondContact O-N 3.2Å
70A93.1Very high92.1Very high36 Ų3649.8 Ų49.830%0.29828%0.277SS..Hα-helixtrans-66.5-42.2178.500000112.5G66 L67 L73 F74 W121G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.23Å; G66-A70 PolarHBondContact O-N 3.16Å; L67-A70 PolarHBondContact O-N 2.94Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-F74 WeakPolarHBondContact O-CB 3.2Å; A70-F74 PolarHBondContact O-N 3.22Å; A70-W121 HydrophobicContact CB-CH2 3.56Å; A70-W121 HydrophobicContact CB-CZ2 4.23Å; A70-W121 HydrophobicContact CB-CZ3 4.25Å
71I92.9Very high92.3Very high5 Ų552 Ų523%0.02629%0.289CS..Hα-helixtrans-60.1-45.7173.8-70.9168.1000110.4V29 L67 V68 S75 W121 L342 Y346V29-I71 HydrophobicContact CG1-CG2 3.85Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.36Å; L67-I71 HydrophobicContact CG-CD1 3.87Å; L67-I71 WeakPolarHBondContact O-CB 3.36Å; L67-I71 VanDerWaalsContact O-CG1 3.24Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.35Å; V68-I71 PolarHBondContact O-N 3.1Å; I71-S75 VanDerWaalsContact O-CB 3.26Å; I71-S75 WeakPolarHBondContact O-CB 3.19Å; I71-S75 PolarHBondContact O-N 3.35Å; I71-S75 PolarHBondContact O-OG 3.24Å; I71-W121 HydrophobicContact CD1-CB 4.49Å; I71-W121 HydrophobicContact CD1-CD2 4.35Å; I71-W121 HydrophobicContact CD1-CE3 4.37Å; I71-W121 HydrophobicContact CD1-CG 4.41Å; I71-W121 HydrophobicContact CG1-CD2 3.68Å; I71-W121 HydrophobicContact CG1-CE3 3.93Å; I71-W121 HydrophobicContact CG1-CG 3.96Å; I71-W121 HydrophobicContact CG1-CZ2 4.46Å; I71-W121 HydrophobicContact CG1-CZ3 4.42Å; I71-L342 HydrophobicContact CG2-CD2 3.79Å; I71-Y346 HydrophobicContact CG2-CE2 4.39Å; I71-Y346 PolarHBondContact O-OH 2.95Å
72G93.2Very high92.4Very high17 Ų1750.9 Ų50.918%0.17528%0.283CS..Hα-helixtrans-63-46.417800000112.6V68 G69 S75 L76V68-G72 PolarHBondContact O-N 3.19Å; G69-G72 PolarHBondContact O-N 3.48Å; G72-S75 WeakPolarHBondContact CA-OG 3.39Å; G72-S75 PolarHBondContact O-N 3.23Å; G72-S75 PolarHBondContact O-OG 3.16Å; G72-L76 WeakPolarHBondContact O-CB 3.33Å; G72-L76 PolarHBondContact O-N 2.89Å
73L94.3Very high92.4Very high113 Ų11343.2 Ų43.259%0.59226%0.255SS*.Hα-helixtrans-66.5-43.4178.7-175.2126.3000112G69 A70 L76 L77G69-L73 WeakPolarHBondContact O-CB 3.34Å; G69-L73 PolarHBondContact O-N 3.2Å; A70-L73 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 3.49Å; L73-L77 HydrophobicContact CD2-CD1 4.03Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.44Å
74F94.4Very high92.4Very high41 Ų4144 Ų4418%0.1825%0.252CS..Hα-helixtrans-64-42.6177-179-101.9000111.8A70 L77 A78 L113 L114 A117 Y346A70-F74 WeakPolarHBondContact O-CB 3.2Å; A70-F74 PolarHBondContact O-N 3.22Å; F74-L77 PolarHBondContact O-N 3.49Å; F74-A78 WeakPolarHBondContact O-CB 3.43Å; F74-A78 PolarHBondContact O-N 3.34Å; F74-L113 HydrophobicContact CE2-CB 4.29Å; F74-L113 HydrophobicContact CZ-CB 4.09Å; F74-L114 HydrophobicContact CE1-CD2 3.89Å; F74-L114 HydrophobicContact CZ-CD2 4.38Å; F74-A117 HydrophobicContact CD1-CB 4.04Å; F74-A117 HydrophobicContact CE1-CB 3.32Å; F74-A117 HydrophobicContact CZ-CB 3.64Å; F74-Y346 AromaticContact CD1-CE1 3.91Å; F74-Y346 HydrophobicContact CD1-CE1 3.91Å; F74-Y346 HydrophobicContact CE1-CE1 4Å
75S93.6Very high92.2Very high0 Ų044 Ų440%025%0.252CS..Hα-helixtrans-67.4-34.817759.60000112.8I71 G72 A78 Y79I71-S75 VanDerWaalsContact O-CB 3.26Å; I71-S75 WeakPolarHBondContact O-CB 3.19Å; I71-S75 PolarHBondContact O-N 3.35Å; I71-S75 PolarHBondContact O-OG 3.24Å; G72-S75 WeakPolarHBondContact CA-OG 3.39Å; G72-S75 PolarHBondContact O-N 3.23Å; G72-S75 PolarHBondContact O-OG 3.16Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-Y79 WeakPolarHBondContact O-CB 3.24Å; S75-Y79 PolarHBondContact O-N 3.27Å
76L94.5Very high91.8Very high75 Ų7538 Ų3839%0.39323%0.229SC..Hα-helixtrans-61.8-47.4171.3-179.670000111.4F26 G72 L73 A78 Y79 L80F26-L76 HydrophobicContact CE2-CB 3.96Å; F26-L76 HydrophobicContact CE2-CD1 4.31Å; F26-L76 HydrophobicContact CZ-CB 4.34Å; F26-L76 HydrophobicContact CZ-CD1 3.95Å; G72-L76 WeakPolarHBondContact O-CB 3.33Å; G72-L76 PolarHBondContact O-N 2.89Å; L73-L76 PolarHBondContact O-N 3.49Å; L76-A78 PolarHBondContact O-N 2.76Å; L76-Y79 WeakPolarHBondContact O-CB 3.37Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-L80 HydrophobicContact CG-CD1 4.34Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.22Å
77L93.7Very high91.1Very high92 Ų9236 Ų3648%0.48221%0.209SC..Hα-helixtrans-61.7-43.7177.2-72.1173.1000111.6L73 F74 Y79 L80 L81L73-L77 HydrophobicContact CD2-CD1 4.03Å; L73-L77 WeakPolarHBondContact O-CG 3.37Å; L73-L77 PolarHBondContact O-N 3.44Å; F74-L77 PolarHBondContact O-N 3.49Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 3.35Å; L77-L80 PolarHBondContact O-N 2.83Å; L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.12Å
78A93.5Very high90.3Very high1 Ų145.2 Ų45.21%0.00824%0.243CC..Hα-helixtrans-62.4-42176.400000112.1F74 S75 L76 C82 L110 L114 I349F74-A78 WeakPolarHBondContact O-CB 3.43Å; F74-A78 PolarHBondContact O-N 3.34Å; S75-A78 PolarHBondContact O-N 3.27Å; L76-A78 PolarHBondContact O-N 2.76Å; A78-C82 VanDerWaalsContact O-CB 3.23Å; A78-C82 WeakPolarHBondContact O-CB 3.43Å; A78-C82 PolarHBondContact O-N 3.43Å; A78-L110 HydrophobicContact CB-CD1 3.95Å; A78-L114 HydrophobicContact CB-CD2 3.93Å; A78-I349 HydrophobicContact CB-CG2 4.2Å
79Y93.3Very high89.7Confident46 Ų4646 Ų4618%0.1825%0.246CC..Hα-helixtrans-60.2-48.3173.8166.3-109.2000111.8L23 F26 S75 L76 L77 L81 C82 A83L23-Y79 HydrophobicContact CB-CD2 4.38Å; L23-Y79 HydrophobicContact CB-CE2 3.65Å; L23-Y79 HydrophobicContact CG-CE2 4.43Å; F26-Y79 HydrophobicContact CB-CD2 4.47Å; F26-Y79 HydrophobicContact CB-CG 4.34Å; F26-Y79 HydrophobicContact CG-CG 4.46Å; S75-Y79 WeakPolarHBondContact O-CB 3.24Å; S75-Y79 PolarHBondContact O-N 3.27Å; L76-Y79 WeakPolarHBondContact O-CB 3.37Å; L76-Y79 PolarHBondContact O-N 3.49Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 3.35Å; Y79-L81 PolarHBondContact O-N 3.33Å; Y79-C82 CarbonylContact O-C 3.52Å; Y79-C82 PolarHBondContact O-N 3.45Å; Y79-A83 HydrophobicContact CE2-CB 4.28Å; Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.19Å
80L92Very high89.1Confident83 Ų8344.4 Ų44.444%0.43523%0.229SC..Hα-helixtrans-60.7-46179.9-71.9173.3000111.8L76 L77 C82 A83 L84L76-L80 HydrophobicContact CG-CD1 4.34Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.22Å; L77-L80 PolarHBondContact O-N 2.83Å; L80-C82 PolarHBondContact O-N 2.76Å; L80-A83 PolarHBondContact O-N 2.9Å; L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.35Å
81L90.9Very high88.3Confident64 Ų6449.7 Ų49.734%0.33525%0.245SC..Hα-helixtrans-63.1-42176.7-69.9175.8000111.8L77 Y79 A83 L84 S85 L110L77-L81 WeakPolarHBondContact O-CG 3.45Å; L77-L81 PolarHBondContact O-N 3.12Å; Y79-L81 PolarHBondContact O-N 3.33Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 3.08Å; L81-L84 PolarHBondContact O-N 2.8Å; L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.96Å; L81-L110 HydrophobicContact CB-CD2 3.73Å; L81-L110 HydrophobicContact CD1-CD1 4.03Å; L81-L110 HydrophobicContact CD1-CD2 4.31Å
82C90.1Very high87.6Confident1 Ų155.4 Ų55.41%0.00727%0.271CS..Hα-helixtrans-64.3-38.3174.9-173.20000112S22 A78 Y79 L80 S85 S86 N356S22-C82 WeakPolarHBondContact CB-SG 3.42Å; A78-C82 VanDerWaalsContact O-CB 3.23Å; A78-C82 WeakPolarHBondContact O-CB 3.43Å; A78-C82 PolarHBondContact O-N 3.43Å; Y79-C82 CarbonylContact O-C 3.52Å; Y79-C82 PolarHBondContact O-N 3.45Å; L80-C82 PolarHBondContact O-N 2.76Å; C82-S85 CarbonylContact O-C 3.54Å; C82-S85 PolarHBondContact O-N 3.18Å; C82-S86 PolarHBondContact O-N 3.09Å; C82-N356 PolarHBondContact O-ND2 3.35Å; C82-N356 PolarHBondContact SG-ND2 3.13Å; C82-N356 VanDerWaalsContact SG-ND2 3.37Å
83A89.8Confident86.8Confident12 Ų1261 Ų6110%0.09929%0.288CS..Hα-helixtrans-68.9-39.6178.200000111.9P19 Y79 L80 L81 S85 S86 N89P19-A83 HydrophobicContact CB-CB 4.03Å; Y79-A83 HydrophobicContact CE2-CB 4.28Å; Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.46Å; Y79-A83 PolarHBondContact O-N 3.19Å; L80-A83 PolarHBondContact O-N 2.9Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 3.08Å; A83-S85 VanDerWaalsContact C-N 3.3Å; A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.15Å; A83-N89 WeakPolarHBondContact O-CB 3.29Å; A83-N89 PolarHBondContact O-ND2 3.37Å
84L88.6Confident86Confident64 Ų6457.6 Ų57.634%0.33527%0.268SS..Hα-helixtrans-64.5-36.4173.4-70.6172.5000111.8L80 L81 S86 N89 A90 Y93L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.35Å; L81-L84 PolarHBondContact O-N 2.8Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.83Å; L84-N89 CarbonylContact O-C 3.46Å; L84-A90 WeakPolarHBondContact O-CA 3.35Å; L84-A90 PolarHBondContact O-N 2.88Å; L84-Y93 HydrophobicContact CD2-CD2 3.9Å; L84-Y93 HydrophobicContact CD2-CE1 4.29Å; L84-Y93 HydrophobicContact CD2-CE2 3.55Å; L84-Y93 HydrophobicContact CD2-CG 4.43Å
85S86.9Confident85Confident2 Ų262.2 Ų62.21%0.01429%0.291CS..THydrogen-bonded Turntrans-80.6-3.8175.8-170.40000114.2L81 C82 A83 N107 N356 M360L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.96Å; C82-S85 CarbonylContact O-C 3.54Å; C82-S85 PolarHBondContact O-N 3.18Å; A83-S85 VanDerWaalsContact C-N 3.3Å; S85-N107 PolarHBondContact OG-ND2 3.45Å; S85-N356 WeakPolarHBondContact OG-CB 3.45Å; S85-M360 WeakPolarHBondContact OG-CE 3.4Å
86S85.5Confident84.2Confident3 Ų364.8 Ų64.82%0.02131%0.309CS..SBendtrans-77.5154.7-179.9-167.10000111.8S17 S18 C82 A83 L84 W88 N89 A90S17-S86 PolarHBondContact O-OG 3.16Å; S18-S86 VanDerWaalsContact C-OG 3.29Å; C82-S86 PolarHBondContact O-N 3.09Å; A83-S86 WeakPolarHBondContact O-CB 3.4Å; A83-S86 PolarHBondContact O-N 3.15Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.83Å; S86-W88 PolarHBondContact O-N 3.46Å; S86-W88 VanDerWaalsContact O-N 3.14Å; S86-N89 PolarHBondContact O-N 2.97Å; S86-A90 VanDerWaalsContact O-CB 3.3Å; S86-A90 WeakPolarHBondContact O-CB 3.11Å; S86-A90 PolarHBondContact O-N 2.87Å
87G75Confident83.4Confident6 Ų665 Ų656%0.06232%0.316CS..Hα-helixtrans-47.5-49.6-159.800000118.7
88W76.5Confident82.7Confident203 Ų20370.9 Ų70.977%0.76933%0.332SS*.Hα-helixtrans-71-46.5179.6-167.7-10.4000111.1S86 A90 K91 H92S86-W88 PolarHBondContact O-N 3.46Å; S86-W88 VanDerWaalsContact O-N 3.14Å; W88-A90 PolarHBondContact O-N 3.26Å; W88-K91 PolarHBondContact O-N 2.84Å; W88-H92 AromaticContact CD1-CD2 3.86Å; W88-H92 AromaticContact CD1-NE2 3.64Å; W88-H92 AromaticContact NE1-NE2 3.49Å; W88-H92 PolarHBondContact NE1-NE2 3.38Å; W88-H92 PolarHBondContact O-CD2 3.14Å
89N80.2Confident82Confident59 Ų5976 Ų7632%0.31635%0.354SS..Hα-helixtrans-66.7-41.3-178.6-64.2-25.3000111.6A83 L84 S86 K91 H92 Y93A83-N89 WeakPolarHBondContact O-CB 3.29Å; A83-N89 PolarHBondContact O-ND2 3.37Å; L84-N89 CarbonylContact O-C 3.46Å; S86-N89 PolarHBondContact O-N 2.97Å; N89-K91 PolarHBondContact O-N 3.07Å; N89-H92 PolarHBondContact O-N 3.1Å; N89-Y93 HydrophobicContact CB-CD2 4.42Å; N89-Y93 VanDerWaalsContact O-CD2 3.29Å; N89-Y93 WeakPolarHBondContact O-CD2 3.34Å; N89-Y93 PolarHBondContact O-N 3.07Å
90A78.3Confident81.3Confident9 Ų974.6 Ų74.67%0.07435%0.352CS..Hα-helixtrans-59.4-33.2179.600000112.3L84 S86 W88 H92 Y93 F94L84-A90 WeakPolarHBondContact O-CA 3.35Å; L84-A90 PolarHBondContact O-N 2.88Å; S86-A90 VanDerWaalsContact O-CB 3.3Å; S86-A90 WeakPolarHBondContact O-CB 3.11Å; S86-A90 PolarHBondContact O-N 2.87Å; W88-A90 PolarHBondContact O-N 3.26Å; A90-H92 VanDerWaalsContact C-N 3.3Å; A90-H92 PolarHBondContact O-N 3.45Å; A90-Y93 PolarHBondContact O-N 3.37Å; A90-F94 HydrophobicContact CB-CD2 4.08Å; A90-F94 WeakPolarHBondContact O-CA 3.49Å; A90-F94 WeakPolarHBondContact O-CB 3.48Å; A90-F94 PolarHBondContact O-N 2.95Å
91K77.6Confident80.9Confident148 Ų14873.3 Ų73.364%0.64335%0.349SS*.Hα-helixtrans-62.6-38.1176.1-169.6175.5179.3-179.60111.8W88 N89 E95W88-K91 PolarHBondContact O-N 2.84Å; N89-K91 PolarHBondContact O-N 3.07Å; K91-E95 WeakPolarHBondContact O-CB 3.42Å
92H78.4Confident80.7Confident124 Ų12474.2 Ų74.257%0.57436%0.36SS*.Hα-helixtrans-78.7-38.2178.7-66.5-67.6000113W88 N89 A90W88-H92 AromaticContact CD1-CD2 3.86Å; W88-H92 AromaticContact CD1-NE2 3.64Å; W88-H92 AromaticContact NE1-NE2 3.49Å; W88-H92 PolarHBondContact NE1-NE2 3.38Å; W88-H92 PolarHBondContact O-CD2 3.14Å; N89-H92 PolarHBondContact O-N 3.1Å; A90-H92 VanDerWaalsContact C-N 3.3Å; A90-H92 PolarHBondContact O-N 3.45Å
93Y76.7Confident80.5Confident135 Ų13574.1 Ų74.153%0.52936%0.359SS..Hα-helixtrans-86.2-29.9-175.6-75.8-79.9000113.7L84 N89 A90 K99L84-Y93 HydrophobicContact CD2-CD2 3.9Å; L84-Y93 HydrophobicContact CD2-CE1 4.29Å; L84-Y93 HydrophobicContact CD2-CE2 3.55Å; L84-Y93 HydrophobicContact CD2-CG 4.43Å; N89-Y93 HydrophobicContact CB-CD2 4.42Å; N89-Y93 VanDerWaalsContact O-CD2 3.29Å; N89-Y93 WeakPolarHBondContact O-CD2 3.34Å; N89-Y93 PolarHBondContact O-N 3.07Å; A90-Y93 PolarHBondContact O-N 3.37Å; Y93-K99 WeakPolarHBondContact O-CD 3.35Å
94F77.3Confident80.3Confident41 Ų4175.6 Ų75.618%0.1836%0.362CS..SBendtrans-121.225.1-170.7-58-59.4000114.5A90 S96 K99 G103 M360A90-F94 HydrophobicContact CB-CD2 4.08Å; A90-F94 WeakPolarHBondContact O-CA 3.49Å; A90-F94 WeakPolarHBondContact O-CB 3.48Å; A90-F94 PolarHBondContact O-N 2.95Å; F94-S96 VanDerWaalsContact C-N 3.25Å; F94-S96 PolarHBondContact O-N 2.76Å; F94-K99 HydrophobicContact CD1-CB 4.18Å; F94-K99 WeakPolarHBondContact CD1-O 3.35Å; F94-G103 VanDerWaalsContact CE1-CA 3.43Å; F94-M360 HydrophobicContact CD2-SD 4.09Å; F94-M360 HydrophobicContact CE2-SD 4.45Å; F94-M360 HydrophobicContact CG-SD 4.48Å
95E73Confident80.3Confident139 Ų13976 Ų7665%0.6537%0.369SS*.  trans-59.9-27.7-176.4-162.3171-159.800115.1K91K91-E95 WeakPolarHBondContact O-CB 3.42Å
96S77.3Confident80.5Confident54 Ų5478 Ų7838%0.37838%0.383SS..SBendtrans-94.7143.6-179.4175.20000111.1F94 R98 K99 A100F94-S96 VanDerWaalsContact C-N 3.25Å; F94-S96 PolarHBondContact O-N 2.76Å; S96-R98 PolarHBondContact O-N 3.38Å; S96-R98 VanDerWaalsContact O-N 3.09Å; S96-K99 CarbonylContact O-C 3.56Å; S96-K99 WeakPolarHBondContact O-CA 3.48Å; S96-K99 WeakPolarHBondContact O-CB 3.27Å; S96-K99 PolarHBondContact O-N 3.45Å; S96-A100 PolarHBondContact O-N 3.48Å
97S76.1Confident80.7Confident78 Ų7877.9 Ų77.955%0.54538%0.382SS..Hα-helixtrans-50.4-38.5178.873.10000114.1A100 C101S97-A100 PolarHBondContact O-N 3.36Å; S97-C101 PolarHBondContact O-N 3.16Å; S97-C101 VanDerWaalsContact O-N 3.09Å
98R79.3Confident81.5Confident217 Ų21781.3 Ų81.382%0.81940%0.397SS*.Hα-helixtrans-65.5-42.2174.3-69-173.5-176.4-176.72.1111.8S96 C101 C102S96-R98 PolarHBondContact O-N 3.38Å; S96-R98 VanDerWaalsContact O-N 3.09Å; R98-C101 WeakPolarHBondContact O-CB 3.05Å; R98-C101 PolarHBondContact O-N 3.23Å; R98-C102 PolarHBondContact O-N 2.82Å
99K80Confident82.3Confident109 Ų10975.4 Ų75.447%0.47438%0.384SS..Hα-helixtrans-67.7-41.3177.7-60.5-179.8-177.6177.50110.6Y93 F94 S96 C101 C102 G103Y93-K99 WeakPolarHBondContact O-CD 3.35Å; F94-K99 HydrophobicContact CD1-CB 4.18Å; F94-K99 WeakPolarHBondContact CD1-O 3.35Å; S96-K99 CarbonylContact O-C 3.56Å; S96-K99 WeakPolarHBondContact O-CA 3.48Å; S96-K99 WeakPolarHBondContact O-CB 3.27Å; S96-K99 PolarHBondContact O-N 3.45Å; K99-C101 VanDerWaalsContact C-N 3.3Å; K99-C101 PolarHBondContact O-N 2.77Å; K99-C102 WeakPolarHBondContact O-CA 3.42Å; K99-C102 VanDerWaalsContact O-CB 3.31Å; K99-C102 WeakPolarHBondContact O-CB 3.45Å; K99-C102 PolarHBondContact O-N 3.31Å; K99-G103 PolarHBondContact O-N 3.42Å
100A78.3Confident83Confident15 Ų1572.9 Ų72.912%0.12437%0.371CS..Hα-helixtrans-60.6-36.2174.400000112.8S96 S97 G103 R104S96-A100 PolarHBondContact O-N 3.48Å; S97-A100 PolarHBondContact O-N 3.36Å; A100-G103 PolarHBondContact O-N 2.87Å; A100-R104 WeakPolarHBondContact O-CG 3.16Å; A100-R104 PolarHBondContact O-N 3.4Å; A100-R104 VanDerWaalsContact O-N 3.09Å
101C83.2Confident83.7Confident56 Ų5674.1 Ų74.138%0.37838%0.375SS..Hα-helixtrans-62.9-42.7171.3-170.60000112.1S97 R98 K99 R104 C105S97-C101 PolarHBondContact O-N 3.16Å; S97-C101 VanDerWaalsContact O-N 3.09Å; R98-C101 WeakPolarHBondContact O-CB 3.05Å; R98-C101 PolarHBondContact O-N 3.23Å; K99-C101 VanDerWaalsContact C-N 3.3Å; K99-C101 PolarHBondContact O-N 2.77Å; C101-R104 PolarHBondContact O-N 2.94Å; C101-C105 PolarHBondContact O-N 3.47Å; C101-C105 VanDerWaalsContact O-N 3.07Å; C101-C105 PolarHBondContact O-SG 2.78Å
102C86.3Confident84.5Confident83 Ų8372.2 Ų72.256%0.56137%0.371SS*.Hα-helixtrans-62.9-43.4175.4-168.90000112.1R98 K99 R104 C105 C106R98-C102 PolarHBondContact O-N 2.82Å; K99-C102 WeakPolarHBondContact O-CA 3.42Å; K99-C102 VanDerWaalsContact O-CB 3.31Å; K99-C102 WeakPolarHBondContact O-CB 3.45Å; K99-C102 PolarHBondContact O-N 3.31Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 2.85Å; C102-C105 PolarHBondContact O-N 2.97Å; C102-C106 WeakPolarHBondContact O-CB 3.2Å; C102-C106 PolarHBondContact O-N 3.43Å
103G85.6Confident85.2Confident0 Ų070.3 Ų70.30%037%0.365CS..Hα-helixtrans-59.9-42.3176.400000112.7F94 K99 A100 C106 N107 M360F94-G103 VanDerWaalsContact CE1-CA 3.43Å; K99-G103 PolarHBondContact O-N 3.42Å; A100-G103 PolarHBondContact O-N 2.87Å; G103-C106 WeakPolarHBondContact O-CB 3.38Å; G103-C106 PolarHBondContact O-N 3.03Å; G103-N107 PolarHBondContact O-N 3.46Å; G103-M360 VanDerWaalsContact C-CE 3.42Å; G103-M360 WeakPolarHBondContact O-CE 3.38Å
104R86.2Confident86Confident43 Ų4363.9 Ų63.916%0.16234%0.339CS..Hα-helixtrans-62.1-46.5173.9-74.7-174.2-67146.9-0.9112.7A100 C101 C102 C106 N107 M108 Y357 M360A100-R104 WeakPolarHBondContact O-CG 3.16Å; A100-R104 PolarHBondContact O-N 3.4Å; A100-R104 VanDerWaalsContact O-N 3.09Å; C101-R104 PolarHBondContact O-N 2.94Å; C102-R104 VanDerWaalsContact C-N 3.35Å; C102-R104 PolarHBondContact O-N 2.85Å; R104-C106 VanDerWaalsContact C-N 3.3Å; R104-C106 PolarHBondContact O-N 2.94Å; R104-N107 PolarHBondContact O-N 3.24Å; R104-M108 WeakPolarHBondContact O-CB 3.26Å; R104-M108 PolarHBondContact O-N 3.25Å; R104-Y357 HydrophobicContact CB-CD2 4.25Å; R104-Y357 HydrophobicContact CB-CE2 3.87Å; R104-Y357 HydrophobicContact CG-CD2 4.35Å; R104-Y357 HydrophobicContact CG-CE2 4.12Å; R104-M360 HydrophobicContact CG-CB 3.65Å; R104-M360 HydrophobicContact CG-CE 4.47Å
105C89.5Confident86.9Confident71 Ų7165 Ų6548%0.4835%0.35SS..Hα-helixtrans-62.6-40177.5-63.70000111.3C101 C102 M108 T109C101-C105 PolarHBondContact O-N 3.47Å; C101-C105 VanDerWaalsContact O-N 3.07Å; C101-C105 PolarHBondContact O-SG 2.78Å; C102-C105 PolarHBondContact O-N 2.97Å; C105-M108 PolarHBondContact O-N 3.24Å; C105-T109 WeakPolarHBondContact O-CB 3.4Å; C105-T109 PolarHBondContact O-N 3Å; C105-T109 PolarHBondContact O-OG1 2.87Å
106C89.7Confident87.8Confident44 Ų4461.4 Ų61.430%0.29734%0.337SS..Hα-helixtrans-61.6-49.3176.1-172.90000111.4C102 G103 R104 M108 T109 L110C102-C106 WeakPolarHBondContact O-CB 3.2Å; C102-C106 PolarHBondContact O-N 3.43Å; G103-C106 WeakPolarHBondContact O-CB 3.38Å; G103-C106 PolarHBondContact O-N 3.03Å; R104-C106 VanDerWaalsContact C-N 3.3Å; R104-C106 PolarHBondContact O-N 2.94Å; C106-M108 PolarHBondContact O-N 3.44Å; C106-T109 PolarHBondContact O-N 3.46Å; C106-L110 WeakPolarHBondContact O-CB 3.19Å; C106-L110 PolarHBondContact O-N 2.89Å
107N90.4Very high88.4Confident2 Ų259.1 Ų59.11%0.01132%0.322CS..Hα-helixtrans-64.7-40178-77.52.6000113S85 G103 R104 L110 I111 T353 Y357 M360S85-N107 PolarHBondContact OG-ND2 3.45Å; G103-N107 PolarHBondContact O-N 3.46Å; R104-N107 PolarHBondContact O-N 3.24Å; N107-L110 PolarHBondContact O-N 3.22Å; N107-I111 VanDerWaalsContact O-CG1 3.31Å; N107-I111 WeakPolarHBondContact O-CG1 3.01Å; N107-I111 PolarHBondContact O-N 3.35Å; N107-T353 HydrophobicContact CB-CG2 4.06Å; N107-Y357 HydrophobicContact CB-CD2 4.19Å; N107-Y357 PolarHBondContact ND2-N 2.87Å; N107-M360 HydrophobicContact CB-CE 4.32Å; N107-M360 WeakPolarHBondContact ND2-CE 3.38Å
108M92.5Very high89.1Confident77 Ų7756.7 Ų56.738%0.37930%0.303SS..Hα-helixtrans-61.6-46.1175.1-87.9-68-172.300111.7R104 C105 C106 L110 I111 I112 Y357R104-M108 WeakPolarHBondContact O-CB 3.26Å; R104-M108 PolarHBondContact O-N 3.25Å; C105-M108 PolarHBondContact O-N 3.24Å; C106-M108 PolarHBondContact O-N 3.44Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 3.02Å; M108-I111 PolarHBondContact O-N 3.39Å; M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.86Å; M108-I112 VanDerWaalsContact O-N 3.11Å; M108-Y357 HydrophobicContact CE-CD1 4.04Å; M108-Y357 HydrophobicContact CE-CD2 4.33Å; M108-Y357 HydrophobicContact CE-CE1 3.41Å; M108-Y357 VanDerWaalsContact CE-CE1 3.41Å; M108-Y357 HydrophobicContact CE-CE2 3.74Å; M108-Y357 HydrophobicContact CE-CG 4.46Å; M108-Y357 WeakPolarHBondContact CE-OH 3.12Å; M108-Y357 HydrophobicContact CG-CD2 3.78Å; M108-Y357 HydrophobicContact CG-CE2 3.35Å; M108-Y357 HydrophobicContact SD-CE2 4.27Å
109T92.9Very high89.7Confident80 Ų8051.3 Ų51.349%0.49129%0.29SS..Hα-helixtrans-60.7-42.6175.5-54.10000110.6C105 C106 I111 I112 L113C105-T109 WeakPolarHBondContact O-CB 3.4Å; C105-T109 PolarHBondContact O-N 3Å; C105-T109 PolarHBondContact O-OG1 2.87Å; C106-T109 PolarHBondContact O-N 3.46Å; T109-I111 PolarHBondContact O-N 2.87Å; T109-I112 PolarHBondContact O-N 3.47Å; T109-L113 HydrophobicContact CG2-CD1 4.09Å; T109-L113 HydrophobicContact CG2-CG 4.39Å; T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.34Å
110L93.5Very high90.3Very high6 Ų651.1 Ų51.13%0.03129%0.294CS..Hα-helixtrans-62.4-42178-177.460.9000112.3A78 L81 C106 N107 M108 L113 L114 T353A78-L110 HydrophobicContact CB-CD1 3.95Å; L81-L110 HydrophobicContact CB-CD2 3.73Å; L81-L110 HydrophobicContact CD1-CD1 4.03Å; L81-L110 HydrophobicContact CD1-CD2 4.31Å; C106-L110 WeakPolarHBondContact O-CB 3.19Å; C106-L110 PolarHBondContact O-N 2.89Å; N107-L110 PolarHBondContact O-N 3.22Å; M108-L110 VanDerWaalsContact C-N 3.29Å; M108-L110 PolarHBondContact O-N 3.02Å; L110-L113 PolarHBondContact O-N 2.86Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.23Å; L110-L114 HydrophobicContact CG-CD1 3.86Å; L110-L114 HydrophobicContact CG-CG 4.33Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 VanDerWaalsContact O-CG 3.23Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.47Å; L110-T353 HydrophobicContact CB-CG2 4.29Å; L110-T353 HydrophobicContact CD2-CG2 3.8Å; L110-T353 HydrophobicContact CG-CG2 4.17Å
111I93.9Very high90.8Very high34 Ų3453 Ų5317%0.17430%0.297CS..Hα-helixtrans-61.2-46.6176.2-69.3163.7000110.4N107 M108 T109 L113 L114 V115 T353 A354N107-I111 VanDerWaalsContact O-CG1 3.31Å; N107-I111 WeakPolarHBondContact O-CG1 3.01Å; N107-I111 PolarHBondContact O-N 3.35Å; M108-I111 PolarHBondContact O-N 3.39Å; T109-I111 PolarHBondContact O-N 2.87Å; I111-L113 VanDerWaalsContact C-N 3.33Å; I111-L113 PolarHBondContact O-N 2.92Å; I111-L114 PolarHBondContact O-N 2.68Å; I111-V115 HydrophobicContact CG2-CG2 4.43Å; I111-V115 WeakPolarHBondContact O-CG2 3.21Å; I111-V115 PolarHBondContact O-N 3.4Å; I111-T353 HydrophobicContact CD1-CG2 4.15Å; I111-T353 HydrophobicContact CG1-CG2 3.66Å; I111-A354 HydrophobicContact CD1-CB 4.28Å
112I94.4Very high91Very high109 Ų10952.1 Ų52.156%0.55929%0.292SS*.Hα-helixtrans-60.9-44.9177.8-64.7167.2000110.4M108 T109 L114 V115 T116M108-I112 WeakPolarHBondContact O-CG1 3.41Å; M108-I112 PolarHBondContact O-N 2.86Å; M108-I112 VanDerWaalsContact O-N 3.11Å; T109-I112 PolarHBondContact O-N 3.47Å; I112-L114 PolarHBondContact O-N 3.15Å; I112-V115 PolarHBondContact O-N 2.9Å; I112-T116 WeakPolarHBondContact O-CB 3.39Å; I112-T116 WeakPolarHBondContact O-CG2 3.28Å; I112-T116 PolarHBondContact O-N 3.48Å; I112-T116 PolarHBondContact O-OG1 3.31Å
113L94.2Very high91.2Very high83 Ų8350.9 Ų50.944%0.43529%0.288SS..Hα-helixtrans-62.8-40176.2-71.8176.3000112F74 T109 L110 I111 T116 A117F74-L113 HydrophobicContact CE2-CB 4.29Å; F74-L113 HydrophobicContact CZ-CB 4.09Å; T109-L113 HydrophobicContact CG2-CD1 4.09Å; T109-L113 HydrophobicContact CG2-CG 4.39Å; T109-L113 WeakPolarHBondContact O-CB 3.35Å; T109-L113 VanDerWaalsContact O-CG 3.29Å; T109-L113 WeakPolarHBondContact O-CG 3.38Å; T109-L113 PolarHBondContact O-N 3.34Å; L110-L113 PolarHBondContact O-N 2.86Å; I111-L113 VanDerWaalsContact C-N 3.33Å; I111-L113 PolarHBondContact O-N 2.92Å; L113-T116 WeakPolarHBondContact CA-OG1 3.46Å; L113-T116 PolarHBondContact O-OG1 3.35Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.44Å
114L93.5Very high91.4Very high0 Ų054.2 Ų54.20%031%0.305CS..Hα-helixtrans-66.3-44.7177.8-76.9164.6000111.7F74 A78 L110 I111 I112 A117 V118 Y346 I349 I350F74-L114 HydrophobicContact CE1-CD2 3.89Å; F74-L114 HydrophobicContact CZ-CD2 4.38Å; A78-L114 HydrophobicContact CB-CD2 3.93Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.23Å; L110-L114 HydrophobicContact CG-CD1 3.86Å; L110-L114 HydrophobicContact CG-CG 4.33Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 VanDerWaalsContact O-CG 3.23Å; L110-L114 WeakPolarHBondContact O-CG 3.41Å; L110-L114 PolarHBondContact O-N 3.47Å; I111-L114 PolarHBondContact O-N 2.68Å; I112-L114 PolarHBondContact O-N 3.15Å; L114-A117 PolarHBondContact O-N 3.34Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.36Å; L114-Y346 HydrophobicContact CD2-CD1 3.75Å; L114-Y346 HydrophobicContact CD2-CE1 4.05Å; L114-I349 HydrophobicContact CD1-CG2 3.84Å; L114-I349 HydrophobicContact CD2-CG2 4.1Å; L114-I350 HydrophobicContact CB-CD1 4.07Å; L114-I350 HydrophobicContact CB-CG1 3.63Å; L114-I350 HydrophobicContact CD1-CG1 3.92Å; L114-I350 HydrophobicContact CG-CG1 4.3Å
115V94.2Very high91.4Very high66 Ų6652.3 Ų52.340%0.430%0.299SS..Hα-helixtrans-64-46.8178.7172.20000110.8I111 I112 A117 V118 I119 I350I111-V115 HydrophobicContact CG2-CG2 4.43Å; I111-V115 WeakPolarHBondContact O-CG2 3.21Å; I111-V115 PolarHBondContact O-N 3.4Å; I112-V115 PolarHBondContact O-N 2.9Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.36Å; V115-V118 PolarHBondContact O-N 2.83Å; V115-I119 HydrophobicContact CG1-CD1 4.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 2.98Å; V115-I350 HydrophobicContact CG2-CD1 4.25Å
116T92.7Very high91.3Very high62 Ų6252.5 Ų52.538%0.3830%0.3SS..Hα-helixtrans-64-40.4176.550.90000111.8I112 L113 I119 L120I112-T116 WeakPolarHBondContact O-CB 3.39Å; I112-T116 WeakPolarHBondContact O-CG2 3.28Å; I112-T116 PolarHBondContact O-N 3.48Å; I112-T116 PolarHBondContact O-OG1 3.31Å; L113-T116 WeakPolarHBondContact CA-OG1 3.46Å; L113-T116 PolarHBondContact O-OG1 3.35Å; T116-I119 PolarHBondContact O-N 2.95Å; T116-L120 WeakPolarHBondContact O-CB 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 3.49Å
117A90.6Very high91.2Very high7 Ų756.8 Ų56.86%0.05832%0.319CS..Hα-helixtrans-60-46173.800000112F74 L113 L114 V115 I119 L120 W121F74-A117 HydrophobicContact CD1-CB 4.04Å; F74-A117 HydrophobicContact CE1-CB 3.32Å; F74-A117 HydrophobicContact CZ-CB 3.64Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.44Å; L114-A117 PolarHBondContact O-N 3.34Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-A117 PolarHBondContact O-N 3.36Å; A117-I119 VanDerWaalsContact C-N 3.29Å; A117-I119 PolarHBondContact O-N 3.44Å; A117-L120 PolarHBondContact O-N 3.13Å; A117-W121 VanDerWaalsContact C-CD1 3.46Å; A117-W121 VanDerWaalsContact O-CB 3.24Å; A117-W121 WeakPolarHBondContact O-CB 3.19Å; A117-W121 PolarHBondContact O-N 2.72Å
118V91.2Very high91Very high26 Ų2657.4 Ų57.416%0.15832%0.323CS..Hα-helixtrans-56.7-44.7177.2167.10000111.3L114 V115 S122 L343 Y346 I350L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.36Å; V115-V118 PolarHBondContact O-N 2.83Å; V118-S122 VanDerWaalsContact O-CB 3.23Å; V118-S122 WeakPolarHBondContact O-CB 3.32Å; V118-S122 PolarHBondContact O-N 3.5Å; V118-S122 PolarHBondContact O-OG 2.9Å; V118-L343 HydrophobicContact CG1-CD2 3.65Å; V118-Y346 VanDerWaalsContact CG2-CB 3.46Å; V118-Y346 HydrophobicContact CG2-CD1 4.44Å; V118-Y346 HydrophobicContact CG2-CD2 4.14Å; V118-Y346 HydrophobicContact CG2-CG 3.79Å; V118-I350 HydrophobicContact CG2-CD1 4.38Å
119I91.7Very high90.6Very high105 Ų10554.6 Ų54.654%0.53831%0.311SS..Hα-helixtrans-66.7-46.9178.8-63.1167.5000110.9V115 T116 A117 S122 A123V115-I119 HydrophobicContact CG1-CD1 4.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 2.98Å; T116-I119 PolarHBondContact O-N 2.95Å; A117-I119 VanDerWaalsContact C-N 3.29Å; A117-I119 PolarHBondContact O-N 3.44Å; I119-S122 PolarHBondContact O-OG 3.41Å; I119-A123 VanDerWaalsContact O-CB 3.32Å; I119-A123 WeakPolarHBondContact O-CB 3.32Å; I119-A123 PolarHBondContact O-N 2.94Å
120L91.1Very high90.1Very high105 Ų10558.4 Ų58.455%0.5532%0.317SS..Hα-helixtrans-67.9-46.3-178.3-71.9173.4000112.2T116 A117 A123 I124T116-L120 WeakPolarHBondContact O-CB 3.27Å; T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 3.49Å; A117-L120 PolarHBondContact O-N 3.13Å; L120-A123 PolarHBondContact O-N 2.93Å; L120-I124 WeakPolarHBondContact O-CB 3.47Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 3.49Å
121W88.7Confident89.4Confident53 Ų5359.3 Ų59.320%0.20132%0.324CS..Hα-helixtrans-65.1-40.3179.2-62.9134.8000111.9L67 A70 I71 A117 I124 A125L67-W121 HydrophobicContact CD1-CE3 3.36Å; L67-W121 HydrophobicContact CD1-CZ3 3.5Å; L67-W121 VanDerWaalsContact CD1-CZ3 3.5Å; A70-W121 HydrophobicContact CB-CH2 3.56Å; A70-W121 HydrophobicContact CB-CZ2 4.23Å; A70-W121 HydrophobicContact CB-CZ3 4.25Å; I71-W121 HydrophobicContact CD1-CB 4.49Å; I71-W121 HydrophobicContact CD1-CD2 4.35Å; I71-W121 HydrophobicContact CD1-CE3 4.37Å; I71-W121 HydrophobicContact CD1-CG 4.41Å; I71-W121 HydrophobicContact CG1-CD2 3.68Å; I71-W121 HydrophobicContact CG1-CE3 3.93Å; I71-W121 HydrophobicContact CG1-CG 3.96Å; I71-W121 HydrophobicContact CG1-CZ2 4.46Å; I71-W121 HydrophobicContact CG1-CZ3 4.42Å; A117-W121 VanDerWaalsContact C-CD1 3.46Å; A117-W121 VanDerWaalsContact O-CB 3.24Å; A117-W121 WeakPolarHBondContact O-CB 3.19Å; A117-W121 PolarHBondContact O-N 2.72Å; W121-I124 HydrophobicContact CE3-CD1 4.18Å; W121-I124 HydrophobicContact CZ3-CD1 4.29Å; W121-A125 WeakPolarHBondContact O-CB 3.3Å; W121-A125 PolarHBondContact O-N 3.45Å
122S87.9Confident88.6Confident38 Ų3858 Ų5827%0.26632%0.317SS..Hα-helixtrans-65.1-43.6174.756.40000111.8V118 I119 I124 A125 C126V118-S122 VanDerWaalsContact O-CB 3.23Å; V118-S122 WeakPolarHBondContact O-CB 3.32Å; V118-S122 PolarHBondContact O-N 3.5Å; V118-S122 PolarHBondContact O-OG 2.9Å; I119-S122 PolarHBondContact O-OG 3.41Å; S122-I124 PolarHBondContact O-N 3.44Å; S122-A125 PolarHBondContact O-N 2.91Å; S122-C126 WeakPolarHBondContact O-CB 3.31Å; S122-C126 PolarHBondContact O-N 2.88Å; S122-C126 PolarHBondContact O-SG 2.88Å
123A90.4Very high87.8Confident57 Ų5754.8 Ų54.847%0.47130%0.302SS..Hα-helixtrans-61.2-45.8176.100000112.3I119 L120 C126 L127I119-A123 VanDerWaalsContact O-CB 3.32Å; I119-A123 WeakPolarHBondContact O-CB 3.32Å; I119-A123 PolarHBondContact O-N 2.94Å; L120-A123 PolarHBondContact O-N 2.93Å; A123-C126 PolarHBondContact O-N 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.45Å; A123-L127 PolarHBondContact O-N 3.05Å
124I89.9Confident87Confident70 Ų7052.5 Ų52.536%0.35929%0.293SS..Hα-helixtrans-65.5-43.5177.5-65.2164.7000110.5L67 L120 W121 S122 C126 L127 V128L67-I124 HydrophobicContact CD1-CB 4.43Å; L67-I124 HydrophobicContact CD1-CG2 3.8Å; L67-I124 HydrophobicContact CD2-CG2 4.04Å; L120-I124 WeakPolarHBondContact O-CB 3.47Å; L120-I124 VanDerWaalsContact O-CG1 3.23Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 3.49Å; W121-I124 HydrophobicContact CE3-CD1 4.18Å; W121-I124 HydrophobicContact CZ3-CD1 4.29Å; S122-I124 PolarHBondContact O-N 3.44Å; I124-C126 VanDerWaalsContact C-N 3.32Å; I124-C126 PolarHBondContact O-N 2.94Å; I124-L127 PolarHBondContact O-N 2.85Å; I124-L127 VanDerWaalsContact O-N 3.15Å; I124-V128 HydrophobicContact CG2-CG2 4.11Å; I124-V128 VanDerWaalsContact O-CG2 3.28Å; I124-V128 WeakPolarHBondContact O-CG2 3.42Å; I124-V128 PolarHBondContact O-N 3.26Å
125A87.6Confident86Confident4 Ų453.1 Ų53.13%0.03330%0.296CS..Hα-helixtrans-60-41.8177.200000111.9F36 W121 S122 S129 I339F36-A125 HydrophobicContact CE1-CB 4.16Å; F36-A125 HydrophobicContact CE2-CB 3.88Å; F36-A125 HydrophobicContact CZ-CB 3.54Å; W121-A125 WeakPolarHBondContact O-CB 3.3Å; W121-A125 PolarHBondContact O-N 3.45Å; S122-A125 PolarHBondContact O-N 2.91Å; A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 3.24Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-S129 PolarHBondContact O-OG 3.25Å; A125-I339 HydrophobicContact CB-CD1 4.44Å; A125-I339 HydrophobicContact CB-CG1 4.47Å
126C87.2Confident85Confident75 Ų7550 Ų5051%0.50728%0.278SS..Hα-helixtrans-62.2-44.4173.1-71.60000112S122 A123 I124 V128 S129 Y130S122-C126 WeakPolarHBondContact O-CB 3.31Å; S122-C126 PolarHBondContact O-N 2.88Å; S122-C126 PolarHBondContact O-SG 2.88Å; A123-C126 PolarHBondContact O-N 3.31Å; I124-C126 VanDerWaalsContact C-N 3.32Å; I124-C126 PolarHBondContact O-N 2.94Å; C126-V128 PolarHBondContact O-N 2.95Å; C126-S129 WeakPolarHBondContact CA-OG 3.44Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.05Å; C126-S129 VanDerWaalsContact O-OG 3.13Å; C126-Y130 WeakPolarHBondContact O-CB 3.3Å; C126-Y130 PolarHBondContact O-N 3.46Å
127L87.6Confident84Confident133 Ų13351.8 Ų51.870%0.69628%0.284SS*.Hα-helixtrans-65-40.8-179.9-169.4149.6000112A123 I124 Y130 P131A123-L127 WeakPolarHBondContact O-CB 3.45Å; A123-L127 PolarHBondContact O-N 3.05Å; I124-L127 PolarHBondContact O-N 2.85Å; I124-L127 VanDerWaalsContact O-N 3.15Å; L127-Y130 WeakPolarHBondContact O-CB 3.3Å; L127-P131 WeakPolarHBondContact O-CD 3.46Å
128V84.9Confident83Confident16 Ų1653.5 Ų53.510%0.09729%0.292CS..Hα-helixtrans-76-32.6-179.1-179.30000112L60 I64 I124 C126 P131L60-V128 HydrophobicContact CD1-CG1 3.63Å; L60-V128 HydrophobicContact CG-CG1 4.36Å; I64-V128 HydrophobicContact CD1-CB 4.43Å; I64-V128 HydrophobicContact CD1-CG1 3.39Å; I64-V128 HydrophobicContact CG1-CG1 3.97Å; I124-V128 HydrophobicContact CG2-CG2 4.11Å; I124-V128 VanDerWaalsContact O-CG2 3.28Å; I124-V128 WeakPolarHBondContact O-CG2 3.42Å; I124-V128 PolarHBondContact O-N 3.26Å; C126-V128 PolarHBondContact O-N 2.95Å; V128-P131 WeakPolarHBondContact O-CD 3.43Å; V128-P131 WeakPolarHBondContact O-CG 3.39Å
129S83.7Confident81.8Confident17 Ų1752.4 Ų52.412%0.11929%0.286CS..Hα-helixtrans-77.2-25.5174.356.90000113.3A125 C126 V132 V133A125-S129 VanDerWaalsContact O-CB 3.3Å; A125-S129 WeakPolarHBondContact O-CB 3.24Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-S129 PolarHBondContact O-OG 3.25Å; C126-S129 WeakPolarHBondContact CA-OG 3.44Å; C126-S129 PolarHBondContact O-N 3.42Å; C126-S129 PolarHBondContact O-OG 3.05Å; C126-S129 VanDerWaalsContact O-OG 3.13Å; S129-V132 PolarHBondContact O-N 3.37Å; S129-V132 VanDerWaalsContact O-N 3.14Å; S129-V133 WeakPolarHBondContact O-CB 3.08Å; S129-V133 WeakPolarHBondContact O-CG2 3.37Å; S129-V133 PolarHBondContact O-N 2.94Å
130Y83.5Confident80.7Confident161 Ų16153.4 Ų53.463%0.63128%0.283SS*.Hα-helixtrans-47.6-52.6-179.2-178.4-100.5000114.8C126 L127 V132 V133 S134C126-Y130 WeakPolarHBondContact O-CB 3.3Å; C126-Y130 PolarHBondContact O-N 3.46Å; L127-Y130 WeakPolarHBondContact O-CB 3.3Å; Y130-V132 VanDerWaalsContact C-N 3.34Å; Y130-V132 PolarHBondContact O-N 3.17Å; Y130-V133 PolarHBondContact O-N 3.5Å; Y130-S134 WeakPolarHBondContact O-CA 3.45Å; Y130-S134 WeakPolarHBondContact O-CB 3.32Å; Y130-S134 PolarHBondContact O-N 3.09Å
131P78Confident79.3Confident25 Ų2557.5 Ų57.516%0.16229%0.292CS..Hα-helixtrans-60.6-41.9-179.620.4-32.3000112.8F57 L127 V128 I135F57-P131 HydrophobicContact CD1-CB 4.33Å; F57-P131 HydrophobicContact CD2-CB 4.44Å; F57-P131 HydrophobicContact CE1-CB 3.64Å; F57-P131 HydrophobicContact CE1-CG 4.41Å; F57-P131 HydrophobicContact CE2-CB 3.78Å; F57-P131 HydrophobicContact CZ-CB 3.34Å; F57-P131 HydrophobicContact CZ-CG 4.44Å; L127-P131 WeakPolarHBondContact O-CD 3.46Å; V128-P131 WeakPolarHBondContact O-CD 3.43Å; V128-P131 WeakPolarHBondContact O-CG 3.39Å; P131-I135 WeakPolarHBondContact O-CD1 3.48Å; P131-I135 VanDerWaalsContact O-CG1 3.23Å; P131-I135 WeakPolarHBondContact O-CG1 3.41Å; P131-I135 PolarHBondContact O-N 2.88Å
132V78.2Confident77.8Confident5 Ų556.7 Ų56.73%0.0329%0.291CS..Hα-helixtrans-69-47.1-179179.40000110.7I40 A43 L60 S129 Y130 I135 A136I40-V132 HydrophobicContact CG2-CG2 4.44Å; A43-V132 HydrophobicContact CB-CG1 3.62Å; L60-V132 HydrophobicContact CD2-CG2 4.02Å; S129-V132 PolarHBondContact O-N 3.37Å; S129-V132 VanDerWaalsContact O-N 3.14Å; Y130-V132 VanDerWaalsContact C-N 3.34Å; Y130-V132 PolarHBondContact O-N 3.17Å; V132-I135 PolarHBondContact O-N 3.47Å; V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.99Å
133V76.8Confident76.1Confident42 Ų4259.1 Ų59.126%0.25530%0.299SS..Hα-helixtrans-67.4-40.3179.5176.30000111S129 Y130 A136 L137 V332S129-V133 WeakPolarHBondContact O-CB 3.08Å; S129-V133 WeakPolarHBondContact O-CG2 3.37Å; S129-V133 PolarHBondContact O-N 2.94Å; Y130-V133 PolarHBondContact O-N 3.5Å; V133-A136 PolarHBondContact O-N 2.82Å; V133-L137 HydrophobicContact CG1-CD1 3.81Å; V133-L137 HydrophobicContact CG1-CG 4.19Å; V133-L137 WeakPolarHBondContact O-CB 3.46Å; V133-L137 VanDerWaalsContact O-CG 3.27Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.16Å; V133-V332 HydrophobicContact CG2-CG1 3.96Å; V133-V332 HydrophobicContact CG2-CG2 4.15Å
134S77Confident73.9Confident35 Ų3557.7 Ų57.725%0.24529%0.289CS..Hα-helixtrans-60.9-48.8176.9-177.90000110.6Y130 A136 L137 L138Y130-S134 WeakPolarHBondContact O-CA 3.45Å; Y130-S134 WeakPolarHBondContact O-CB 3.32Å; Y130-S134 PolarHBondContact O-N 3.09Å; S134-A136 PolarHBondContact O-N 3.32Å; S134-L137 PolarHBondContact O-N 3.23Å; S134-L138 WeakPolarHBondContact O-CB 3.23Å; S134-L138 WeakPolarHBondContact O-CG 3.24Å; S134-L138 PolarHBondContact O-N 3.4Å
135I74Confident71.6Confident13 Ų1359.2 Ų59.27%0.06730%0.303CS..Hα-helixtrans-64.4-43.2178-64165.3000110.6L47 F57 P131 V132 L137 L138 L139 L306L47-I135 HydrophobicContact CD1-CG2 3.63Å; L47-I135 HydrophobicContact CD2-CB 4.25Å; L47-I135 HydrophobicContact CD2-CD1 3.76Å; L47-I135 HydrophobicContact CD2-CG2 4.08Å; L47-I135 HydrophobicContact CG-CG2 4.41Å; F57-I135 HydrophobicContact CE2-CD1 3.67Å; F57-I135 HydrophobicContact CZ-CD1 3.96Å; P131-I135 WeakPolarHBondContact O-CD1 3.48Å; P131-I135 VanDerWaalsContact O-CG1 3.23Å; P131-I135 WeakPolarHBondContact O-CG1 3.41Å; P131-I135 PolarHBondContact O-N 2.88Å; V132-I135 PolarHBondContact O-N 3.47Å; I135-L137 PolarHBondContact O-N 2.89Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-L139 HydrophobicContact CG2-CD1 3.87Å; I135-L139 HydrophobicContact CG2-CG 4.2Å; I135-L139 WeakPolarHBondContact O-CB 3.15Å; I135-L139 WeakPolarHBondContact O-CG 3.41Å; I135-L139 PolarHBondContact O-N 2.95Å; I135-L306 HydrophobicContact CD1-CD2 4.48Å
136A71.9Confident69.6Low2 Ų261.2 Ų61.22%0.01732%0.317CS..Hα-helixtrans-57.8-45.3175.600000112.7V132 V133 S134 L139 Y140 I328 V332V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.99Å; V133-A136 PolarHBondContact O-N 2.82Å; S134-A136 PolarHBondContact O-N 3.32Å; A136-L139 PolarHBondContact O-N 3Å; A136-Y140 PolarHBondContact O-N 2.66Å; A136-I328 HydrophobicContact CB-CG2 3.52Å; A136-V332 HydrophobicContact CB-CG2 4.21Å
137L72.2Confident67.6Low98 Ų9865.1 Ų65.151%0.51332%0.321SS..Hα-helixtrans-70.5-34178-71.8176.3000112.6V133 S134 I135 Y140 R141V133-L137 HydrophobicContact CG1-CD1 3.81Å; V133-L137 HydrophobicContact CG1-CG 4.19Å; V133-L137 WeakPolarHBondContact O-CB 3.46Å; V133-L137 VanDerWaalsContact O-CG 3.27Å; V133-L137 WeakPolarHBondContact O-CG 3.36Å; V133-L137 PolarHBondContact O-N 3.16Å; S134-L137 PolarHBondContact O-N 3.23Å; I135-L137 PolarHBondContact O-N 2.89Å; L137-Y140 PolarHBondContact O-N 3.05Å; L137-R141 WeakPolarHBondContact O-CB 3.33Å; L137-R141 PolarHBondContact O-N 3.34Å
138L69.7Low65.3Low43 Ų4365.4 Ų65.423%0.22532%0.323CS..Hα-helixtrans-65.6-42.6173.5-75.1176.2000111.1S134 I135 Y140 R141 N142 Y304S134-L138 WeakPolarHBondContact O-CB 3.23Å; S134-L138 WeakPolarHBondContact O-CG 3.24Å; S134-L138 PolarHBondContact O-N 3.4Å; I135-L138 PolarHBondContact O-N 2.98Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-R141 PolarHBondContact O-N 2.77Å; L138-N142 PolarHBondContact O-N 3.33Å; L138-N142 PolarHBondContact O-ND2 3.27Å; L138-Y304 HydrophobicContact CD1-CD1 3.86Å; L138-Y304 HydrophobicContact CD1-CE1 4.37Å; L138-Y304 HydrophobicContact CD1-CG 4.16Å; L138-Y304 HydrophobicContact CD2-CD1 3.82Å; L138-Y304 HydrophobicContact CD2-CE1 3.49Å; L138-Y304 VanDerWaalsContact CD2-CE1 3.49Å; L138-Y304 HydrophobicContact CG-CD1 4.41Å; L138-Y304 HydrophobicContact CG-CE1 4.43Å
139L66.3Low63.1Low3 Ų373.4 Ų73.42%0.01635%0.351CS..Hα-helixtrans-60.4-45.4174.4-68.3168.7000110.2L47 L50 I135 A136 L301 I316 F321 I328L47-L139 HydrophobicContact CD1-CD1 4.22Å; L50-L139 HydrophobicContact CD2-CD1 3.85Å; I135-L139 HydrophobicContact CG2-CD1 3.87Å; I135-L139 HydrophobicContact CG2-CG 4.2Å; I135-L139 WeakPolarHBondContact O-CB 3.15Å; I135-L139 WeakPolarHBondContact O-CG 3.41Å; I135-L139 PolarHBondContact O-N 2.95Å; A136-L139 PolarHBondContact O-N 3Å; L139-L301 HydrophobicContact CD2-CD2 4.21Å; L139-I316 HydrophobicContact CD2-CD1 4.24Å; L139-F321 HydrophobicContact CB-CE1 4.33Å; L139-F321 HydrophobicContact CB-CE2 4.4Å; L139-F321 HydrophobicContact CB-CZ 3.62Å; L139-F321 HydrophobicContact CD2-CE2 3.49Å; L139-F321 VanDerWaalsContact CD2-CE2 3.49Å; L139-F321 HydrophobicContact CD2-CZ 3.51Å; L139-F321 HydrophobicContact CG-CE2 4.47Å; L139-F321 HydrophobicContact CG-CZ 4.13Å; L139-F321 VanDerWaalsContact O-CE1 3.26Å; L139-F321 WeakPolarHBondContact O-CE1 3.35Å; L139-F321 WeakPolarHBondContact O-CZ 3.47Å; L139-I328 HydrophobicContact CD1-CD1 4.22Å
140Y67.3Low61.1Low126 Ų12676.3 Ų76.349%0.49437%0.365SS..Hα-helixtrans-67.7-42.7176.9-171.8-102.3000113.7A136 L137 L138 N142 E143 T325 L329A136-Y140 PolarHBondContact O-N 2.66Å; L137-Y140 PolarHBondContact O-N 3.05Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; Y140-N142 PolarHBondContact O-N 2.94Å; Y140-E143 WeakPolarHBondContact O-CB 3.42Å; Y140-E143 PolarHBondContact O-N 3.29Å; Y140-T325 HydrophobicContact CD2-CG2 4.4Å; Y140-L329 HydrophobicContact CD2-CD1 4.06Å; Y140-L329 HydrophobicContact CE2-CD1 4.42Å
141R63.5Low59.1Low191 Ų19171.8 Ų71.872%0.72136%0.361SS*.Hα-helixtrans-62.3-26.9-177.1179.4176.6172.9130.1-0112.9L137 L138 E143 G144L137-R141 WeakPolarHBondContact O-CB 3.33Å; L137-R141 PolarHBondContact O-N 3.34Å; L138-R141 PolarHBondContact O-N 2.77Å; R141-E143 PolarHBondContact O-N 3.23Å; R141-G144 WeakPolarHBondContact O-CA 3.37Å; R141-G144 PolarHBondContact O-N 3.3Å
142N56.5Low57.5Low37 Ų3773 Ų7320%0.19837%0.37CS..THydrogen-bonded Turntrans-71.8-3.1176.6-80.5-33.1000114.1L138 Y140 S146 Y304L138-N142 PolarHBondContact O-N 3.33Å; L138-N142 PolarHBondContact O-ND2 3.27Å; Y140-N142 PolarHBondContact O-N 2.94Å; N142-S146 PolarHBondContact O-OG 3.47Å; N142-Y304 PolarHBondContact ND2-OH 2.77Å; N142-Y304 VanDerWaalsContact ND2-OH 3.16Å; N142-Y304 PolarHBondContact OD1-OH 2.89Å
143E51.7Low56Low89 Ų8976.8 Ų76.842%0.41639%0.393SS..THydrogen-bonded Turntrans-74.9-11.2160-58.7-165.2159.100113.1Y140 R141Y140-E143 WeakPolarHBondContact O-CB 3.42Å; Y140-E143 PolarHBondContact O-N 3.29Å; R141-E143 PolarHBondContact O-N 3.23Å
144G44.2Very low54.2Low26 Ų2675.3 Ų75.327%0.26839%0.387SS..SBendtrans-76.9-165.5177.700000115.2R141 S146 R147R141-G144 WeakPolarHBondContact O-CA 3.37Å; R141-G144 PolarHBondContact O-N 3.3Å; G144-S146 PolarHBondContact O-N 3.27Å; G144-S146 PolarHBondContact O-OG 3.16Å; G144-R147 PolarHBondContact O-N 2.95Å
145P42.5Very low52.4Low102 Ų10280.6 Ų80.666%0.66241%0.407SS*.THydrogen-bonded Turntrans-62.51.5-16323.2-32.9000116.9R147 L148 R149P145-R147 PolarHBondContact O-N 2.93Å; P145-L148 HydrophobicContact CB-CD1 4.22Å; P145-L148 PolarHBondContact O-N 3.11Å; P145-L148 VanDerWaalsContact O-N 3.1Å; P145-R149 PolarHBondContact O-N 3.2Å
146S45.5Very low50.5Low46 Ų4686.2 Ų86.232%0.32244%0.435SS..Hα-helixtrans-58.4-25.9158.446.30000112N142 G144 R149 L150N142-S146 PolarHBondContact O-OG 3.47Å; G144-S146 PolarHBondContact O-N 3.27Å; G144-S146 PolarHBondContact O-OG 3.16Å; S146-R149 PolarHBondContact O-N 2.88Å; S146-L150 PolarHBondContact O-N 2.82Å
147R45.2Very low49Very low158 Ų15890 Ų9060%0.59646%0.457SS*.Hα-helixtrans-60.9-38.9168.1-82.2-153.9168.9-134.12.2113.4G144 P145 R149 A151G144-R147 PolarHBondContact O-N 2.95Å; P145-R147 PolarHBondContact O-N 2.93Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R147-A151 WeakPolarHBondContact O-CB 3.43Å; R147-A151 PolarHBondContact O-N 3.49Å
148L37.8Very low47.1Very low138 Ų13889 Ų8972%0.72346%0.459SS*.Hα-helixtrans-66.6-37178-80.9154.5000111.4P145 S152P145-L148 HydrophobicContact CB-CD1 4.22Å; P145-L148 PolarHBondContact O-N 3.11Å; P145-L148 VanDerWaalsContact O-N 3.1Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 3.37Å; L148-S152 PolarHBondContact O-OG 2.87Å
149R40Very low45.5Very low184 Ų18495.4 Ų95.469%0.69449%0.486SS*.Hα-helixtrans-76.3-47.4177.5-83.4-162.4174172.80.1113.4P145 S146 R147 S152 V153P145-R149 PolarHBondContact O-N 3.2Å; S146-R149 PolarHBondContact O-N 2.88Å; R147-R149 VanDerWaalsContact C-N 3.34Å; R147-R149 PolarHBondContact O-N 3.45Å; R149-S152 PolarHBondContact O-N 2.89Å; R149-S152 PolarHBondContact O-OG 2.89Å; R149-V153 WeakPolarHBondContact O-CG2 3.21Å; R149-V153 PolarHBondContact O-N 2.85Å
150L41.5Very low43.9Very low79 Ų7999.8 Ų99.841%0.41451%0.509SS..Hα-helixtrans-70.1-34178.9-94.292.7000113S146 S152 V153 G154S146-L150 PolarHBondContact O-N 2.82Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.9Å; L150-V153 PolarHBondContact O-N 3.47Å; L150-G154 PolarHBondContact O-N 2.9Å
151A41.4Very low42.2Very low65 Ų65102.3 Ų102.354%0.53753%0.525SS..Hα-helixtrans-64.1-37.8172.600000111.5R147 V153 G154 Q155R147-A151 WeakPolarHBondContact O-CB 3.43Å; R147-A151 PolarHBondContact O-N 3.49Å; A151-V153 PolarHBondContact O-N 2.83Å; A151-G154 PolarHBondContact O-N 3.32Å; A151-Q155 PolarHBondContact O-N 3.45Å; A151-Q155 VanDerWaalsContact O-N 3.11Å
152S44.6Very low40.6Very low52 Ų52100.8 Ų100.836%0.36453%0.531SS..Hα-helixtrans-66.2-35.3175.173.60000113.1L148 R149 L150 M156L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 3.37Å; L148-S152 PolarHBondContact O-OG 2.87Å; R149-S152 PolarHBondContact O-N 2.89Å; R149-S152 PolarHBondContact O-OG 2.89Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.9Å; S152-M156 PolarHBondContact O-N 2.91Å
153V46.4Very low39.3Very low83 Ų83102.5 Ų102.550%0.50356%0.557SS.*Hα-helixtrans-73.8-38.8175.4176.70000110.9R149 L150 A151 Q155 M156 T157R149-V153 WeakPolarHBondContact O-CG2 3.21Å; R149-V153 PolarHBondContact O-N 2.85Å; L150-V153 PolarHBondContact O-N 3.47Å; A151-V153 PolarHBondContact O-N 2.83Å; V153-Q155 VanDerWaalsContact C-N 3.3Å; V153-Q155 PolarHBondContact O-N 2.9Å; V153-M156 WeakPolarHBondContact O-CB 3.26Å; V153-M156 PolarHBondContact O-N 3.42Å; V153-T157 PolarHBondContact O-N 2.84Å; V153-T157 VanDerWaalsContact O-N 3.08Å; V153-T157 PolarHBondContact O-OG1 2.87Å
154G38.1Very low38.1Very low12 Ų12106.5 Ų106.512%0.12458%0.576CS.*Hα-helixtrans-60.2-36.7176.200000113.5L150 A151 T157 S158 Q296L150-G154 PolarHBondContact O-N 2.9Å; A151-G154 PolarHBondContact O-N 3.32Å; G154-T157 WeakPolarHBondContact CA-OG1 3.29Å; G154-T157 PolarHBondContact O-N 3.5Å; G154-T157 PolarHBondContact O-OG1 3.37Å; G154-S158 PolarHBondContact O-N 2.99Å; G154-S158 VanDerWaalsContact O-N 3.08Å; G154-Q296 VanDerWaalsContact CA-NE2 3.3Å
155Q39.3Very low37.6Very low145 Ų145110.7 Ų110.768%0.67860%0.596SS**Hα-helixtrans-70.1-28.1171.9-94.1-179.6-22.900113.6A151 V153 S158A151-Q155 PolarHBondContact O-N 3.45Å; A151-Q155 VanDerWaalsContact O-N 3.11Å; V153-Q155 VanDerWaalsContact C-N 3.3Å; V153-Q155 PolarHBondContact O-N 2.9Å; Q155-S158 PolarHBondContact O-OG 3.44Å
156M34.9Very low36.8Very low132 Ų132111.9 Ų111.965%0.6560%0.597SS**Hα-helixtrans-73.8-30.5173.6-70.1-176.6-17200112.1S152 V153S152-M156 PolarHBondContact O-N 2.91Å; V153-M156 WeakPolarHBondContact O-CB 3.26Å; V153-M156 PolarHBondContact O-N 3.42Å
157T39.9Very low36.1Very low80 Ų80118.6 Ų118.649%0.49162%0.621SS.*Hα-helixtrans-84.5-25.5179510000113.8V153 G154 F159 N160V153-T157 PolarHBondContact O-N 2.84Å; V153-T157 VanDerWaalsContact O-N 3.08Å; V153-T157 PolarHBondContact O-OG1 2.87Å; G154-T157 WeakPolarHBondContact CA-OG1 3.29Å; G154-T157 PolarHBondContact O-N 3.5Å; G154-T157 PolarHBondContact O-OG1 3.37Å; T157-F159 PolarHBondContact O-N 2.92Å; T157-N160 PolarHBondContact O-N 3.49Å
158S33.7Very low35.4Very low79 Ų79115.5 Ų115.555%0.55262%0.621SS**THydrogen-bonded Turntrans-74.4-9.3-177.671.40000114.6G154 Q155G154-S158 PolarHBondContact O-N 2.99Å; G154-S158 VanDerWaalsContact O-N 3.08Å; Q155-S158 PolarHBondContact O-OG 3.44Å
159F34.5Very low35.1Very low177 Ų177114.9 Ų114.978%0.77663%0.628SS**THydrogen-bonded Turntrans-92.5-6.7177.8-90.5-81.3000114.6T157T157-F159 PolarHBondContact O-N 2.92Å
160N32.6Very low35Very low95 Ų95110 Ų11051%0.50862%0.622SS.*  trans-12371.1179.7-73.4-0.9000110.2T157T157-N160 PolarHBondContact O-N 3.49Å
161H31.3Very low35Very low178 Ų178112.3 Ų112.382%0.82465%0.645SS**SBendtrans-115.33.4164.2-110-46.9000114.9
162D31Very low35Very low160 Ų160111.8 Ų111.886%0.85664%0.637SS**SBendtrans-121.2120.3168.5-82.2-36.8000110.3
163G29Very low34.6Very low72 Ų72113.9 Ų113.974%0.74265%0.652SS**SBendtrans76.4119.8163.900000115.8
164Q27.3Very low34.2Very low173 Ų173117.6 Ų117.681%0.80866%0.658SS**  trans34.2106.6158-67.7-176-7.700116.9N166Q164-N166 PolarHBondContact O-N 2.79Å
165V32.7Very low34.3Very low115 Ų115121 Ų12170%0.69767%0.673SS**  trans-62.978.3174.2-172.70000110.9F167V165-F167 HydrophobicContact CG1-CD2 4.44Å; V165-F167 HydrophobicContact CG1-CE2 4.21Å; V165-F167 HydrophobicContact CG1-CZ 4.42Å
166N25.9Very low34.3Very low126 Ų126123 Ų12367%0.67467%0.674SS**  trans-85.1106.7157.5-76.4-26.6000105.7Q164 P168Q164-N166 PolarHBondContact O-N 2.79Å; N166-P168 WeakPolarHBondContact O-CD 3.22Å
167F30.5Very low34.6Very low187 Ų187122.6 Ų122.682%0.8267%0.671SS**  trans-52.6113169.7-73-87.1000108V165 S169V165-F167 HydrophobicContact CG1-CD2 4.44Å; V165-F167 HydrophobicContact CG1-CE2 4.21Å; V165-F167 HydrophobicContact CG1-CZ 4.42Å; F167-S169 PolarHBondContact O-N 3.22Å
168P31.4Very low34.5Very low94 Ų94125.4 Ų125.461%0.6168%0.68SS**  trans-63.7129.717524.4-29.5000107.3N166 S170N166-P168 WeakPolarHBondContact O-CD 3.22Å; P168-S170 PolarHBondContact O-N 3.33Å
169S32.1Very low35Very low125 Ų125128.8 Ų128.887%0.87469%0.685SS**  trans-62.378.3170.156.30000109F167 S171F167-S169 PolarHBondContact O-N 3.22Å; S169-S171 PolarHBondContact O-N 2.87Å
170S36.4Very low35.3Very low81 Ų81124.6 Ų124.657%0.56667%0.67SS**  trans-84.1111.7-176.2170.20000109.1P168 S172P168-S170 PolarHBondContact O-N 3.33Å; S170-S172 PolarHBondContact O-N 3.24Å
171S41.4Very low35.8Very low128 Ų128123 Ų12390%0.89567%0.667SS**  trans-69.634-173.845.70000115.1S169 S173S169-S171 PolarHBondContact O-N 2.87Å; S171-S173 PolarHBondContact O-N 3.04Å
172S41.3Very low36.1Very low53 Ų53119 Ų11937%0.37165%0.652SS.*  trans-86.4107.9172.3170.40000110.3S170 Y174 I175 R176S170-S172 PolarHBondContact O-N 3.24Å; S172-Y174 PolarHBondContact O-N 3.22Å; S172-I175 PolarHBondContact O-N 3.46Å; S172-R176 PolarHBondContact O-N 2.97Å
173S37.6Very low36.5Very low96 Ų96119 Ų11967%0.67164%0.64SS**Hα-helixtrans-49.1-27.717753.10000113.7S171 R176 E177S171-S173 PolarHBondContact O-N 3.04Å; S173-R176 WeakPolarHBondContact O-CB 3.43Å; S173-R176 PolarHBondContact O-N 3.49Å; S173-E177 PolarHBondContact O-N 3Å; S173-E177 VanDerWaalsContact O-N 3.13Å
174Y37.5Very low36.7Very low162 Ų162123.4 Ų123.464%0.63564%0.638SS**Hα-helixtrans-77.2-38.4-174.8-149.1-97.6000113.7S172 R176 E177 M178S172-Y174 PolarHBondContact O-N 3.22Å; Y174-R176 VanDerWaalsContact C-N 3.29Å; Y174-E177 PolarHBondContact O-N 2.91Å; Y174-M178 PolarHBondContact O-N 3.39Å
175I40.4Very low37.3Very low84 Ų84120 Ų12043%0.43163%0.625SS.*Hα-helixtrans-67.7-37.3173.1-64.6-178.2000109.5S172 E177 M178 F179S172-I175 PolarHBondContact O-N 3.46Å; I175-E177 PolarHBondContact O-N 3.33Å; I175-M178 PolarHBondContact O-N 3.25Å; I175-F179 HydrophobicContact CG2-CD2 3.57Å; I175-F179 HydrophobicContact CG2-CE2 3.82Å; I175-F179 PolarHBondContact O-N 2.87Å
176R38.5Very low37.7Very low187 Ų187119.4 Ų119.471%0.70662%0.616SS**Hα-helixtrans-60.8-34.2174.6-152.1178.2-159.2176.86.1111.8S172 S173 Y174 N180S172-R176 PolarHBondContact O-N 2.97Å; S173-R176 WeakPolarHBondContact O-CB 3.43Å; S173-R176 PolarHBondContact O-N 3.49Å; Y174-R176 VanDerWaalsContact C-N 3.29Å; R176-N180 WeakPolarHBondContact O-CA 3.31Å; R176-N180 WeakPolarHBondContact O-CB 3.41Å; R176-N180 PolarHBondContact O-N 3.47Å; R176-N180 PolarHBondContact O-ND2 3.16Å
177E41.4Very low38Very low123 Ų123119.4 Ų119.458%0.57561%0.61SS**Hα-helixtrans-75.4-35.1179.7-148161.9-14900112.8S173 Y174 I175 S181S173-E177 PolarHBondContact O-N 3Å; S173-E177 VanDerWaalsContact O-N 3.13Å; Y174-E177 PolarHBondContact O-N 2.91Å; I175-E177 PolarHBondContact O-N 3.33Å; E177-S181 VanDerWaalsContact O-CB 3.3Å; E177-S181 WeakPolarHBondContact O-CB 3.23Å; E177-S181 PolarHBondContact O-N 2.86Å; E177-S181 PolarHBondContact O-OG 2.94Å
178M38.1Very low38.1Very low138 Ų138121.3 Ų121.368%0.6861%0.612SS**Hα-helixtrans-74.1-43.5175.5-144.1-173.7-165.200111.9Y174 I175 S181 N182Y174-M178 PolarHBondContact O-N 3.39Å; I175-M178 PolarHBondContact O-N 3.25Å; M178-S181 PolarHBondContact O-N 3.46Å; M178-N182 PolarHBondContact O-N 3.33Å
179F44.6Very low38.4Very low151 Ų151126.4 Ų126.466%0.66262%0.619SS**Hα-helixtrans-69-35.4172.2-86.2-82.1000112.2I175 R183I175-F179 HydrophobicContact CG2-CD2 3.57Å; I175-F179 HydrophobicContact CG2-CE2 3.82Å; I175-F179 PolarHBondContact O-N 2.87Å; F179-R183 WeakPolarHBondContact O-CB 3.36Å; F179-R183 PolarHBondContact O-N 3.02Å
180N40.9Very low38.8Very low88 Ų88126.4 Ų126.447%0.47161%0.609SS.*Hα-helixtrans-67.5-36.7171.8-85.5-16.1000111.4R176 R183 K184R176-N180 WeakPolarHBondContact O-CA 3.31Å; R176-N180 WeakPolarHBondContact O-CB 3.41Å; R176-N180 PolarHBondContact O-N 3.47Å; R176-N180 PolarHBondContact O-ND2 3.16Å; N180-R183 CarbonylContact O-C 3.56Å; N180-R183 PolarHBondContact O-N 3.37Å; N180-K184 WeakPolarHBondContact O-CA 3.45Å; N180-K184 VanDerWaalsContact O-CB 3.23Å; N180-K184 WeakPolarHBondContact O-CB 3.02Å; N180-K184 PolarHBondContact O-N 2.9Å
181S42.2Very low38.5Very low63 Ų63128 Ų12844%0.44162%0.616SS.*Hα-helixtrans-66.1-46.2175.3-71.10000111.3E177 M178 R183 K184 I185E177-S181 VanDerWaalsContact O-CB 3.3Å; E177-S181 WeakPolarHBondContact O-CB 3.23Å; E177-S181 PolarHBondContact O-N 2.86Å; E177-S181 PolarHBondContact O-OG 2.94Å; M178-S181 PolarHBondContact O-N 3.46Å; S181-R183 PolarHBondContact O-N 2.94Å; S181-K184 PolarHBondContact O-N 3.46Å; S181-I185 WeakPolarHBondContact O-CB 3.29Å; S181-I185 WeakPolarHBondContact O-CD1 3.38Å; S181-I185 WeakPolarHBondContact O-CG1 3.25Å; S181-I185 PolarHBondContact O-N 3.45Å
182N38.3Very low38.2Very low93 Ų93131 Ų13150%0.49762%0.616SS.*Hα-helixtrans-63.6-40.1174.2-87.2-15.9000112M178 I185 I186M178-N182 PolarHBondContact O-N 3.33Å; N182-I185 PolarHBondContact O-N 2.93Å; N182-I186 WeakPolarHBondContact O-CB 3.39Å; N182-I186 WeakPolarHBondContact O-CD1 3.4Å; N182-I186 WeakPolarHBondContact O-CG1 3.48Å; N182-I186 PolarHBondContact O-N 2.88Å
183R38.6Very low37.5Very low161 Ų161136.5 Ų136.561%0.60864%0.635SS**Hα-helixtrans-70.6-29.4175.3-162.6178.9-162.2-169.36.1112.4F179 N180 S181 K187F179-R183 WeakPolarHBondContact O-CB 3.36Å; F179-R183 PolarHBondContact O-N 3.02Å; N180-R183 CarbonylContact O-C 3.56Å; N180-R183 PolarHBondContact O-N 3.37Å; S181-R183 PolarHBondContact O-N 2.94Å; R183-K187 WeakPolarHBondContact O-CA 3.21Å; R183-K187 WeakPolarHBondContact O-CB 3.35Å; R183-K187 PolarHBondContact O-N 3.19Å
184K34.7Very low37Very low164 Ų164143.4 Ų143.471%0.71365%0.647SS**Hα-helixtrans-72.4-39.6172.2-125.9174.1-179.9177.80110.4N180 S181 I186 R188N180-K184 WeakPolarHBondContact O-CA 3.45Å; N180-K184 VanDerWaalsContact O-CB 3.23Å; N180-K184 WeakPolarHBondContact O-CB 3.02Å; N180-K184 PolarHBondContact O-N 2.9Å; S181-K184 PolarHBondContact O-N 3.46Å; K184-I186 VanDerWaalsContact C-N 3.34Å; K184-R188 VanDerWaalsContact O-CB 3.29Å; K184-R188 WeakPolarHBondContact O-CB 3.43Å; K184-R188 PolarHBondContact O-N 2.96Å
185I39.7Very low36.6Very low101 Ų101143 Ų14352%0.51865%0.649SS.*Hα-helixtrans-68-37.5176.9-66.2161.8000110.4S181 N182S181-I185 WeakPolarHBondContact O-CB 3.29Å; S181-I185 WeakPolarHBondContact O-CD1 3.38Å; S181-I185 WeakPolarHBondContact O-CG1 3.25Å; S181-I185 PolarHBondContact O-N 3.45Å; N182-I185 PolarHBondContact O-N 2.93Å
186I41.1Very low36Very low103 Ų103144.6 Ų144.653%0.52867%0.665SS.*Hα-helixtrans-75.5-45.4175.3-65164.3000110.9N182 K184 R188 R189 D190N182-I186 WeakPolarHBondContact O-CB 3.39Å; N182-I186 WeakPolarHBondContact O-CD1 3.4Å; N182-I186 WeakPolarHBondContact O-CG1 3.48Å; N182-I186 PolarHBondContact O-N 2.88Å; K184-I186 VanDerWaalsContact C-N 3.34Å; I186-R188 VanDerWaalsContact C-N 3.29Å; I186-R188 PolarHBondContact O-N 3.44Å; I186-R189 WeakPolarHBondContact O-CB 3.39Å; I186-R189 PolarHBondContact O-N 3.4Å; I186-D190 PolarHBondContact O-N 3.41Å
187K31.2Very low35.7Very low125 Ų125143.3 Ų143.354%0.54367%0.672SS.*Hα-helixtrans-65.6-26.4175.4-88.2-167166.8-167.10113.6R183 R189 D190 T191R183-K187 WeakPolarHBondContact O-CA 3.21Å; R183-K187 WeakPolarHBondContact O-CB 3.35Å; R183-K187 PolarHBondContact O-N 3.19Å; K187-R189 PolarHBondContact O-N 2.85Å; K187-D190 PolarHBondContact O-N 2.9Å; K187-T191 PolarHBondContact O-N 3.21Å
188R32.3Very low35.2Very low227 Ų227144.9 Ų144.986%0.85768%0.684SS**THydrogen-bonded Turntrans-70-15.8173.7-134.7-178.3-162.4-163.53.5112.7K184 I186K184-R188 VanDerWaalsContact O-CB 3.29Å; K184-R188 WeakPolarHBondContact O-CB 3.43Å; K184-R188 PolarHBondContact O-N 2.96Å; I186-R188 VanDerWaalsContact C-N 3.29Å; I186-R188 PolarHBondContact O-N 3.44Å
189R38.4Very low35.3Very low202 Ų202143.4 Ų143.476%0.76269%0.685SS**THydrogen-bonded Turntrans-83.5-34.4171.4-94.6-173.5-173115.82.6112.8I186 K187I186-R189 WeakPolarHBondContact O-CB 3.39Å; I186-R189 PolarHBondContact O-N 3.4Å; K187-R189 PolarHBondContact O-N 2.85Å
190D39.4Very low34.5Very low125 Ų125143.5 Ų143.567%0.66869%0.692SS**  trans-128.641.4-163.3-53.8-32000114.6I186 K187 E192I186-D190 PolarHBondContact O-N 3.41Å; K187-D190 PolarHBondContact O-N 2.9Å; D190-E192 PolarHBondContact O-N 2.96Å
191T32Very low33.9Very low114 Ų114146.9 Ų146.970%0.69971%0.71SS**  trans-91.586.8166.341.80000111.5K187K187-T191 PolarHBondContact O-N 3.21Å
192E33.4Very low33.2Very low191 Ų191154 Ų15489%0.89373%0.734SS**SBendtrans-100.5148.6131.4-77.1-169.4167.400107.7D190D190-E192 PolarHBondContact O-N 2.96Å
193E27.9Very low32.6Very low168 Ų168156.5 Ų156.579%0.78575%0.747SS**  trans-55.9135.6-160.5-67.2164.7126.900116.3
194W27.2Very low32Very low242 Ų242154.7 Ų154.792%0.91775%0.754SS**  trans-148.1123.7144.6-150.668.5000110.9
195F27.4Very low31.7Very low152 Ų152152.7 Ų152.767%0.66776%0.756SS**  trans-85.7137.9-178.2-76.1-97.2000110.6
196P29.9Very low30.9Very low118 Ų118156.5 Ų156.577%0.76677%0.771SS**  trans-92.2113.3175.831.9-26.1000111.3
197D31.2Very low30.2Very low161 Ų161157.8 Ų157.886%0.86178%0.779SS**  trans-88.2123.2164.8-77.6-32.3000110.3
198D30.7Very low29.8Very low155 Ų155158.6 Ų158.683%0.82979%0.794SS**  trans31.8135.6164.1-90-39.5000124
199P40.9Very low29.5Very low107 Ų107154.4 Ų154.470%0.69579%0.794SS**  trans-10099179.736.2-23.8000111.1
200N28.1Very low28.8Very low154 Ų154149 Ų14982%0.82479%0.792SS**  trans-155.411.3167.5-101.8-17.2000118.2
201D27.3Very low28Very low158 Ų158148.6 Ų148.685%0.84579%0.794SS**  trans-106.874177.2-94-11.5000112.4
202F28.7Very low27.7Very low212 Ų212149 Ų14993%0.9380%0.799SS**  trans-150.158.4154-89.4-72.8000110
203N25.7Very low27.2Very low147 Ų147146.3 Ų146.379%0.78679%0.79SS**SBendtrans-112.2111.6158.6-84.7-24.3000108.9
204T25.4Very low27Very low123 Ų123145 Ų14576%0.75579%0.789SS**  trans50.294.3143.84.30000117.9
205V27.6Very low27Very low122 Ų122140.4 Ų140.474%0.73978%0.781SS**  trans-130.792.7142.7-173.60000108.5N207V205-N207 HydrophobicContact CG1-CB 4.14Å; V205-N207 PolarHBondContact O-N 2.75Å
206E23.6Very low27.3Very low180 Ų180138.2 Ų138.284%0.84178%0.782SS**  trans-61.898.9156.7-175176.8-157.700107.5
207N26.1Very low27.1Very low130 Ų130140.2 Ų140.270%0.69579%0.786SS**  trans-126.897.6168-93.1-2.6000109V205 V209V205-N207 HydrophobicContact CG1-CB 4.14Å; V205-N207 PolarHBondContact O-N 2.75Å; N207-V209 PolarHBondContact O-N 2.95Å
208T22Very low26.8Very low142 Ų142139.7 Ų139.787%0.87178%0.783SS**  trans-29.2112.9146.314.90000112.2
209V27.2Very low26.6Very low139 Ų139139.7 Ų139.784%0.84278%0.782SS**  trans-126128.71571790000107.6N207N207-V209 PolarHBondContact O-N 2.95Å
210A23.5Very low25.8Very low88 Ų88143.5 Ų143.573%0.72779%0.79SS**  trans-65.3145.7-158.400000115.3
211V22.5Very low25.8Very low117 Ų117141.8 Ų141.871%0.70979%0.786SS**  trans-57.1126.6159.61770000109.6
212P25.9Very low25.7Very low122 Ų122140 Ų14079%0.79278%0.776SS**  trans-85.6105.2154.1415.6000108
213D21.9Very low26Very low135 Ų135135.7 Ų135.772%0.72277%0.77SS**  trans-67.5119.3156.9-75.4-44.8000107.6
214D25Very low26.3Very low140 Ų140132 Ų13275%0.74976%0.755SS**  trans164.6113.6131-89.9-26.2000113.5
215I27.4Very low26.5Very low147 Ų147133 Ų13375%0.75476%0.756SS**  trans86.9134.6131.9-58.4164000119.4
216P33.8Very low26.5Very low106 Ų106135.6 Ų135.669%0.68877%0.765SS**  -125.2173.9-65.137.6-17000112.2N218P216-N218 PolarHBondContact O-N 3.32Å; P216-N218 VanDerWaalsContact O-N 3.17Å
217D24.4Very low26.8Very low159 Ų159131.5 Ų131.585%0.8576%0.756SS**  trans-51114.1171.7-64.4-51.5000113.1
218N24.7Very low27Very low151 Ų151133.4 Ų133.481%0.80776%0.758SS**  trans-156.172.6159.3-95.3-31.9000110.1P216P216-N218 PolarHBondContact O-N 3.32Å; P216-N218 VanDerWaalsContact O-N 3.17Å
219L27.3Very low27.3Very low154 Ų154134.2 Ų134.281%0.80676%0.757SS**  trans-147.677.3145.5-138.585.2000108.6T221L219-T221 HydrophobicContact CD2-CG2 4.39Å; L219-T221 PolarHBondContact O-N 3.3Å
220H24.5Very low27.3Very low187 Ų187136 Ų13687%0.86676%0.761SS**  trans-58.993.4154.7-100.1-7.7000107.7D222H220-D222 PolarHBondContact O-N 3.48Å
221T28.4Very low27.3Very low118 Ų118137.8 Ų137.872%0.72476%0.763SS**  trans-72.786.6155.732.50000107.3L219 P223L219-T221 HydrophobicContact CD2-CG2 4.39Å; L219-T221 PolarHBondContact O-N 3.3Å; T221-P223 WeakPolarHBondContact O-CD 3.42Å
222D24.7Very low27.6Very low121 Ų121137.2 Ų137.265%0.64777%0.771SS**  trans-58.2118.9166.6-118.5-24.9000108.6H220 S224H220-D222 PolarHBondContact O-N 3.48Å; D222-S224 PolarHBondContact O-N 3.11Å
223P35.5Very low27.4Very low122 Ų122137.1 Ų137.179%0.79277%0.768SS**THydrogen-bonded Turntrans-78.328.8-177.431.7-33.4000113.1T221T221-P223 WeakPolarHBondContact O-CD 3.42Å
224S31.9Very low27.5Very low68 Ų68137.1 Ų137.148%0.47677%0.773SS.*THydrogen-bonded Turntrans-93.82.2-175.757.20000115.1D222D222-S224 PolarHBondContact O-N 3.11Å
225N27.9Very low27.3Very low146 Ų146136.5 Ų136.578%0.78177%0.774SS**SBendtrans-112.19.9-177.5-82.1-12.8000116.6
226L29.1Very low27Very low175 Ų175135.2 Ų135.292%0.91678%0.778SS**SBendtrans-103.88173.5-14291.3000114.9
227S30.1Very low26.7Very low94 Ų94135.6 Ų135.666%0.65778%0.781SS**SBendtrans-122.124.2-176.853.30000114.9
228K29.9Very low26.7Very low170 Ų170137.4 Ų137.474%0.73978%0.781SS**SBendtrans-1190.4179.9-95-177.4179.3174.70118.9
229D27.5Very low26.7Very low160 Ų160138.9 Ų138.986%0.85679%0.785SS**SBendtrans-118.936.7178.5-79.9-26.3000114.9
230L28Very low26.9Very low177 Ų177137.3 Ų137.393%0.92778%0.782SS**SBendtrans-147.254.8159.5-103.5117.5000111.3
231T22.3Very low26.9Very low125 Ų125136.1 Ų136.177%0.76778%0.782SS**  trans-134.356160.1-140000108.8T233T231-T233 PolarHBondContact O-N 3.48Å
232A29.3Very low26.9Very low105 Ų105138.9 Ų138.987%0.86879%0.786SS**  trans-81.8104.2165.800000108.8
233T22.3Very low26.9Very low120 Ų120138.5 Ų138.574%0.73679%0.791SS**  trans-37.6137.6174.9-41.70000115.1T231 T235T231-T233 PolarHBondContact O-N 3.48Å; T233-T235 PolarHBondContact O-N 3.29Å; T233-T235 VanDerWaalsContact O-N 3.12Å
234V22.8Very low26.7Very low135 Ų135138.3 Ų138.382%0.81879%0.789SS**  trans-24.7107.8148.7178.60000112.2
235T22.4Very low26.5Very low126 Ų126140.5 Ų140.577%0.77380%0.802SS**  trans-144.4125.5140.233.90000107.8T233 P237T233-T235 PolarHBondContact O-N 3.29Å; T233-T235 VanDerWaalsContact O-N 3.12Å; T235-P237 WeakPolarHBondContact O-CD 3.45Å
236S20.2Very low26.3Very low120 Ų120140.1 Ų140.184%0.83980%0.804SS**  trans-66.8134.3167.8-167.50000108.8
237P26.9Very low26.3Very low115 Ų115139.3 Ų139.375%0.74780%0.799SS**  trans-129.7113.6145.229.3-11.9000110.9T235T235-P237 WeakPolarHBondContact O-CD 3.45Å
238K24.3Very low26.1Very low196 Ų196139 Ų13985%0.85280%0.797SS**  trans17.7119.7130.9-125.9172-178.9176.20117V240K238-V240 PolarHBondContact O-N 2.9Å
239M24.9Very low25.9Very low183 Ų183135.5 Ų135.590%0.90179%0.794SS**  trans-35.3116.5160.9-61.716368.900113.1
240V31.2Very low25.9Very low121 Ų121138.2 Ų138.273%0.73380%0.799SS**  trans-140.3113.2149.9178.50000106.7K238 Q242K238-V240 PolarHBondContact O-N 2.9Å; V240-Q242 PolarHBondContact O-N 3.43Å
241D26.2Very low25.8Very low162 Ų162135.2 Ų135.287%0.86679%0.792SS**  trans-58112.2168.8-70.6-53.3000109.3
242Q26.8Very low25.9Very low175 Ų175136 Ų13682%0.81879%0.792SS**  trans-141127.6162.1-118.5171.73.700110.5V240V240-Q242 PolarHBondContact O-N 3.43Å
243P26.5Very low25.8Very low114 Ų114139.4 Ų139.474%0.7480%0.796SS**PPolyproline II helixtrans-70.8159.5-175.728.7-33000111.9
244P29.6Very low25.8Very low117 Ų117142.2 Ų142.276%0.7680%0.798SS**PPolyproline II helixtrans-64.8144.2-165.723.3-33.1000113.5V246P244-V246 PolarHBondContact O-N 3.27Å
245P28.8Very low26Very low114 Ų114143.3 Ų143.374%0.7480%0.798SS**PPolyproline II helixtrans-74.2128.2-176.728.6-32.5000111.8I247P245-I247 PolarHBondContact O-N 2.83Å
246V23.9Very low26.1Very low138 Ų138141.9 Ų141.984%0.83679%0.793SS**  trans-77.4107.4166.9178.80000107.8P244P244-V246 PolarHBondContact O-N 3.27Å
247I29.4Very low26.3Very low158 Ų158141.3 Ų141.381%0.8179%0.789SS**  trans-101.6100.9167.5-59.3178000108.1P245P245-I247 PolarHBondContact O-N 2.83Å
248S25.5Very low26.1Very low87 Ų87141 Ų14161%0.60879%0.79SS**  trans-75.5135.5171.546.90000112.2
249S25.9Very low26.4Very low97 Ų97137.8 Ų137.868%0.67879%0.792SS**  trans54.2108.9145.8590000119.9S251S249-S251 PolarHBondContact O-N 3.48Å
250F26.4Very low26.4Very low217 Ų217136.8 Ų136.895%0.95279%0.788SS**  trans-26.2116.9148.3-80.1-100.3000113.1
251S26.4Very low26.6Very low114 Ų114136.2 Ų136.280%0.79779%0.787SS**  trans-102.2136.6167.2-66.80000110S249S249-S251 PolarHBondContact O-N 3.48Å
252D24.5Very low26.5Very low141 Ų141134.4 Ų134.475%0.75479%0.788SS**  trans-49.9143.6-174.8-59.3-64.2000115
253N27.8Very low26.5Very low177 Ų177136 Ų13695%0.94779%0.792SS**  trans-130.8116.9141.7-104.1-16.2000111
254K21.8Very low26.5Very low180 Ų180136.4 Ų136.478%0.78380%0.797SS**  trans-79.5174.5179.1-79.9174.5168.21730112.4
255L26Very low26.3Very low158 Ų158136 Ų13683%0.82780%0.797SS**  trans87.2131.8166.1-87.767.8000114.7
256S25.2Very low26.2Very low95 Ų95138.4 Ų138.466%0.66480%0.803SS**  cis-167.7144.98.4-113.70000110.3
257S23.6Very low26.3Very low109 Ų109141.3 Ų141.376%0.76280%0.804SS**  trans39.4141.3145.862.70000121.1
258S24Very low26.5Very low109 Ų109137.9 Ų137.976%0.76279%0.792SS**  cis179.9128.7-0.249.20000106.8
259S29Very low26.9Very low127 Ų127140.9 Ų140.989%0.88880%0.801SS**  trans-173.1127.8141.142.80000109.9
260I25.3Very low27.5Very low162 Ų162140.1 Ų140.183%0.83180%0.795SS**  trans-108.2162.7173.8-69.4168000104.7
261P36.4Very low27.8Very low109 Ų109136.8 Ų136.871%0.70878%0.78SS**  cis-134.71687.618.57.1000115.6
262S23.4Very low28.2Very low125 Ų125137.1 Ų137.187%0.87477%0.773SS**  -174.6152.4122.934.10000111.8
263K27.5Very low29Very low209 Ų209135.7 Ų135.791%0.90976%0.764SS**  trans-60.9136.4-155.4-72.7165.9173.7173.50115S265K263-S265 PolarHBondContact O-N 2.88Å
264S25.5Very low29.4Very low121 Ų121131.2 Ų131.285%0.84674%0.743SS**  trans-67101.6179.752.50000113.2
265S25.4Very low30Very low109 Ų109128.9 Ų128.976%0.76273%0.733SS**  trans-74.2146154.1-178.90000109.6K263 K267K263-S265 PolarHBondContact O-N 2.88Å; S265-K267 PolarHBondContact O-N 3.18Å
266L27.2Very low30.5Very low164 Ų164129 Ų12986%0.85973%0.729SS**  trans-41.7121.1-172.8-87.471.5000113.1
267K26.5Very low31.2Very low200 Ų200129.4 Ų129.487%0.8773%0.728SS**  trans-64.7130.9174.4-78.4-179.9176.9178.60110.3S265 L269S265-K267 PolarHBondContact O-N 3.18Å; K267-L269 PolarHBondContact O-N 3.4Å
268P34Very low31.7Very low85 Ų85129.7 Ų129.755%0.55272%0.718SS**  trans-76.4108.1173.330.3-30.1000109.1S270P268-S270 PolarHBondContact O-N 2.95Å; P268-S270 VanDerWaalsContact O-N 3.14Å
269L32.6Very low32.7Very low151 Ų151131.3 Ų131.379%0.79172%0.718SS**THydrogen-bonded Turntrans-67.2-2.5173.2-154.683.6000112.8K267K267-L269 PolarHBondContact O-N 3.4Å
270S38.5Very low33.5Very low80 Ų80128.7 Ų128.756%0.55971%0.711SS**Hα-helixtrans-85.9-18.3-174.762.40000115.3P268 V274P268-S270 PolarHBondContact O-N 2.95Å; P268-S270 VanDerWaalsContact O-N 3.14Å; S270-V274 WeakPolarHBondContact O-CG2 3.39Å
271K33.9Very low34.5Very low148 Ų148123.7 Ų123.764%0.64369%0.694SS**Hα-helixtrans-76.4-26.9-178-78.1-174.3177.1-179.20114K275K271-K275 WeakPolarHBondContact O-CB 3.35Å; K271-K275 PolarHBondContact O-N 3.34Å; K271-K275 VanDerWaalsContact O-N 3.11Å
272N34.4Very low35.3Very low121 Ų121122.1 Ų122.165%0.64768%0.68SS**Hα-helixtrans-75.8-36.3-177.3-73.6-8.5000112.2K275 Q276N272-K275 PolarHBondContact O-N 3.38Å; N272-Q276 WeakPolarHBondContact O-CB 3.37Å; N272-Q276 PolarHBondContact O-N 3.44Å
273I41.3Very low37.1Very low111 Ų111118.7 Ų118.757%0.56966%0.655SS**Hα-helixtrans-67-44.6176.8-62.9171.5000110.2K275 Q276 V277I273-K275 PolarHBondContact O-N 2.86Å; I273-Q276 PolarHBondContact O-N 3.23Å; I273-V277 WeakPolarHBondContact O-CG2 3.35Å; I273-V277 PolarHBondContact O-N 3.41Å; I273-V277 VanDerWaalsContact O-N 3.08Å
274V36.1Very low38.5Very low83 Ų83115 Ų11550%0.50364%0.644SS.*Hα-helixtrans-66-38.3179.3-176.20000111.4S270 V277 M278S270-V274 WeakPolarHBondContact O-CG2 3.39Å; V274-V277 PolarHBondContact O-N 3.43Å; V274-M278 HydrophobicContact CG1-CE 4.07Å; V274-M278 WeakPolarHBondContact O-CB 3.39Å; V274-M278 WeakPolarHBondContact O-CG 3.31Å; V274-M278 PolarHBondContact O-N 3.48Å
275K34Very low40Very low131 Ų131113.5 Ų113.557%0.5763%0.632SS**Hα-helixtrans-66.8-36.5173.4-86-172172-171.90113.1K271 N272 I273 V277 M278 N279K271-K275 WeakPolarHBondContact O-CB 3.35Å; K271-K275 PolarHBondContact O-N 3.34Å; K271-K275 VanDerWaalsContact O-N 3.11Å; N272-K275 PolarHBondContact O-N 3.38Å; I273-K275 PolarHBondContact O-N 2.86Å; K275-V277 VanDerWaalsContact C-N 3.33Å; K275-M278 PolarHBondContact O-N 3.32Å; K275-N279 WeakPolarHBondContact O-CB 3.23Å; K275-N279 PolarHBondContact O-N 3Å; K275-N279 PolarHBondContact O-OD1 2.94Å
276Q35.6Very low41.7Very low159 Ų159113.5 Ų113.574%0.74362%0.62SS**Hα-helixtrans-69.3-33.4179.2-162.2172.5600112.1N272 I273N272-Q276 WeakPolarHBondContact O-CB 3.37Å; N272-Q276 PolarHBondContact O-N 3.44Å; I273-Q276 PolarHBondContact O-N 3.23Å
277V41.7Very low43.1Very low104 Ų104107.1 Ų107.163%0.6359%0.589SS**Hα-helixtrans-73.9-38.4172.8179.10000111.5I273 V274 K275 A281I273-V277 WeakPolarHBondContact O-CG2 3.35Å; I273-V277 PolarHBondContact O-N 3.41Å; I273-V277 VanDerWaalsContact O-N 3.08Å; V274-V277 PolarHBondContact O-N 3.43Å; K275-V277 VanDerWaalsContact C-N 3.33Å; V277-A281 PolarHBondContact O-N 2.87Å
278M33.8Very low44.7Very low115 Ų115102 Ų10257%0.56757%0.57SS**Hα-helixtrans-74-27.9178.1-75.5-163.2-58.600114.3V274 K275 G280 A281V274-M278 HydrophobicContact CG1-CE 4.07Å; V274-M278 WeakPolarHBondContact O-CB 3.39Å; V274-M278 WeakPolarHBondContact O-CG 3.31Å; V274-M278 PolarHBondContact O-N 3.48Å; K275-M278 PolarHBondContact O-N 3.32Å; M278-G280 PolarHBondContact O-N 3.46Å; M278-G280 VanDerWaalsContact O-N 3.16Å; M278-A281 PolarHBondContact O-N 2.89Å; M278-A281 VanDerWaalsContact O-N 3.13Å
279N44.3Very low46.1Very low143 Ų143104.8 Ų104.877%0.76557%0.574SS**THydrogen-bonded Turntrans-66.1-17.4179.9-76.4-2.1000113.4K275K275-N279 WeakPolarHBondContact O-CB 3.23Å; K275-N279 PolarHBondContact O-N 3Å; K275-N279 PolarHBondContact O-OD1 2.94Å
280G45.5Very low47.4Very low72 Ų72100 Ų10074%0.74255%0.549SS*.THydrogen-bonded Turntrans-103.5-13.6171.700000114.3M278M278-G280 PolarHBondContact O-N 3.46Å; M278-G280 VanDerWaalsContact O-N 3.16Å
281A46.8Very low48.4Very low57 Ų5799.9 Ų99.947%0.47154%0.538SS..SBendtrans-96.9120.9-179.200000109.1V277 M278 S283V277-A281 PolarHBondContact O-N 2.87Å; M278-A281 PolarHBondContact O-N 2.89Å; M278-A281 VanDerWaalsContact O-N 3.13Å; A281-S283 PolarHBondContact O-N 3.31Å
282L52.5Low49.5Very low77 Ų77101.8 Ų101.840%0.40354%0.543SS..  trans-45.2143173.2-103.871.7000111.3E286 L290 L312L282-E286 HydrophobicContact CD2-CB 4.13Å; L282-E286 HydrophobicContact CG-CB 4.38Å; L282-L290 HydrophobicContact CD2-CD1 3.21Å; L282-L312 HydrophobicContact CD2-CD2 4.07Å
283S62.8Low50.5Low52 Ų52100.3 Ų100.336%0.36453%0.532SS..  trans-57.6144.4174.569.50000110A281 P285 E286 S287A281-S283 PolarHBondContact O-N 3.31Å; S283-P285 VanDerWaalsContact C-CD 3.44Å; S283-P285 VanDerWaalsContact C-N 3.32Å; S283-E286 PolarHBondContact N-OE2 3.45Å; S283-E286 PolarHBondContact O-N 2.89Å; S283-E286 WeakPolarHBondContact OG-CB 3.35Å; S283-E286 WeakPolarHBondContact OG-CG 3.28Å; S283-E286 PolarHBondContact OG-OE2 2.91Å; S283-S287 PolarHBondContact O-N 3.25Å
284I55.6Low51.3Low131 Ų131100.9 Ų100.967%0.67254%0.544SS*.Hα-helixtrans-46.3-47.7-179.8-61.5172.5000112.7S287 I288I284-S287 PolarHBondContact O-N 3.49Å; I284-S287 PolarHBondContact O-OG 3.3Å; I284-I288 HydrophobicContact CG2-CD1 4Å; I284-I288 WeakPolarHBondContact O-CG1 3.19Å; I284-I288 PolarHBondContact O-N 3.49Å
285P57.4Low52.6Low90 Ų9098.9 Ų98.958%0.58453%0.534SS*.Hα-helixtrans-68.4-37178.825.7-34.2000113.8S283 S287 I288 K289S283-P285 VanDerWaalsContact C-CD 3.44Å; S283-P285 VanDerWaalsContact C-N 3.32Å; P285-S287 VanDerWaalsContact C-N 3.35Å; P285-I288 PolarHBondContact O-N 3.04Å; P285-K289 PolarHBondContact O-N 3.19Å
286E61.7Low54Low109 Ų10997.8 Ų97.851%0.50953%0.531SS..Hα-helixtrans-65.8-40.4174.5-73.4169.5154.900111.1L282 S283 I288 K289 L290L282-E286 HydrophobicContact CD2-CB 4.13Å; L282-E286 HydrophobicContact CG-CB 4.38Å; S283-E286 PolarHBondContact N-OE2 3.45Å; S283-E286 PolarHBondContact O-N 2.89Å; S283-E286 WeakPolarHBondContact OG-CB 3.35Å; S283-E286 WeakPolarHBondContact OG-CG 3.28Å; S283-E286 PolarHBondContact OG-OE2 2.91Å; E286-I288 VanDerWaalsContact C-N 3.34Å; E286-I288 PolarHBondContact O-N 3.45Å; E286-K289 PolarHBondContact O-N 2.87Å; E286-L290 PolarHBondContact O-N 3.27Å
287S57.1Low55.4Low31 Ų3197.3 Ų97.322%0.21753%0.529CS..Hα-helixtrans-60.4-44.517577.20000110.9S283 I284 P285 K289 L290 F291S283-S287 PolarHBondContact O-N 3.25Å; I284-S287 PolarHBondContact O-N 3.49Å; I284-S287 PolarHBondContact O-OG 3.3Å; P285-S287 VanDerWaalsContact C-N 3.35Å; S287-K289 VanDerWaalsContact C-N 3.32Å; S287-K289 PolarHBondContact O-N 2.93Å; S287-L290 PolarHBondContact O-N 2.9Å; S287-F291 WeakPolarHBondContact O-CB 3.43Å; S287-F291 WeakPolarHBondContact O-CD2 3.49Å; S287-F291 PolarHBondContact O-N 2.76Å
288I59.5Low56.6Low91 Ų9194.4 Ų94.447%0.46751%0.511SS..Hα-helixtrans-62.2-43177.5-66.7164.4000110.5I284 P285 E286 L290 Y292I284-I288 HydrophobicContact CG2-CD1 4Å; I284-I288 WeakPolarHBondContact O-CG1 3.19Å; I284-I288 PolarHBondContact O-N 3.49Å; P285-I288 PolarHBondContact O-N 3.04Å; E286-I288 VanDerWaalsContact C-N 3.34Å; E286-I288 PolarHBondContact O-N 3.45Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 3.42Å; I288-Y292 HydrophobicContact CG2-CD2 4.15Å; I288-Y292 WeakPolarHBondContact O-CB 3.46Å; I288-Y292 PolarHBondContact O-N 3.28Å
289K63Low58.2Low145 Ų14590.8 Ų90.863%0.6349%0.492SS*.Hα-helixtrans-63.8-36.5179.6-170.8178.4178.1-176.80112.8P285 E286 S287 Q293P285-K289 PolarHBondContact O-N 3.19Å; E286-K289 PolarHBondContact O-N 2.87Å; S287-K289 VanDerWaalsContact C-N 3.32Å; S287-K289 PolarHBondContact O-N 2.93Å; K289-Q293 WeakPolarHBondContact O-CB 3.19Å
290L59.8Low59.3Low51 Ų5186.3 Ų86.327%0.26747%0.468SS..Hα-helixtrans-81.1-44.3179.9-84.5146000112.8L282 E286 S287 I288 L312 P313L282-L290 HydrophobicContact CD2-CD1 3.21Å; E286-L290 PolarHBondContact O-N 3.27Å; S287-L290 PolarHBondContact O-N 2.9Å; I288-L290 VanDerWaalsContact C-N 3.33Å; I288-L290 PolarHBondContact O-N 3.42Å; L290-L312 HydrophobicContact CD1-CD2 4.18Å; L290-L312 HydrophobicContact CD2-CD2 4.29Å; L290-P313 VanDerWaalsContact O-CG 3.3Å; L290-P313 WeakPolarHBondContact O-CG 3.39Å
291F59.1Low60.4Low77 Ų7783.2 Ų83.234%0.33844%0.435SS..Hα-helixtrans-81.6-19.9-177-71.5-76.4000114.2S287 Y307 P313S287-F291 WeakPolarHBondContact O-CB 3.43Å; S287-F291 WeakPolarHBondContact O-CD2 3.49Å; S287-F291 PolarHBondContact O-N 2.76Å; F291-Y307 HydrophobicContact CE1-CD1 4.45Å; F291-Y307 AromaticContact CE1-CE1 3.91Å; F291-Y307 HydrophobicContact CE1-CE1 3.91Å; F291-P313 HydrophobicContact CD1-CG 4.25Å
292Y57.2Low61.5Low188 Ų18881.5 Ų81.574%0.73742%0.42SS*.THydrogen-bonded Turntrans-117.628.2-178.9-63.7-84.8000113.4I288 C294I288-Y292 HydrophobicContact CG2-CD2 4.15Å; I288-Y292 WeakPolarHBondContact O-CB 3.46Å; I288-Y292 PolarHBondContact O-N 3.28Å; Y292-C294 PolarHBondContact O-N 3.42Å; Y292-C294 VanDerWaalsContact O-N 3.14Å
293Q56.2Low62.1Low90 Ų9087.3 Ų87.342%0.42144%0.437SS..  trans-82.188.2174.7-133.4173.8-400111.2K289 S295K289-Q293 WeakPolarHBondContact O-CB 3.19Å; Q293-S295 PolarHBondContact O-N 3.22Å
294C57.4Low62.2Low123 Ų12388.3 Ų88.383%0.83143%0.434SS*.  trans-7996.8162.4-83.50000109.4Y292Y292-C294 PolarHBondContact O-N 3.42Å; Y292-C294 VanDerWaalsContact O-N 3.14Å
295S62.9Low62.8Low41 Ų4184.4 Ų84.429%0.28743%0.425SS..  trans-101.3143.6168.8167.60000110.6Q293 E297 T298Q293-S295 PolarHBondContact O-N 3.22Å; S295-E297 PolarHBondContact O-N 2.88Å; S295-E297 PolarHBondContact OG-N 3.28Å; S295-E297 VanDerWaalsContact OG-N 3.15Å; S295-T298 WeakPolarHBondContact CB-OG1 3.09Å
296Q63.4Low63.3Low108 Ų10881.3 Ų81.351%0.50540%0.404SS..SBendtrans-71.2-19.9174.1-67.3-174.410.900112.3G154 R318G154-Q296 VanDerWaalsContact CA-NE2 3.3Å; Q296-R318 PolarHBondContact O-NE 2.96Å; Q296-R318 VanDerWaalsContact O-NE 3.12Å; Q296-R318 PolarHBondContact O-NH1 3.21Å; Q296-R318 PolarHBondContact O-NH2 3.46Å
297E65.7Low63.8Low149 Ų14981.4 Ų81.470%0.69640%0.4SS*.SBendtrans-96.1-13.1-176.4-63.7-175.8175.200113S295 R318S295-E297 PolarHBondContact O-N 2.88Å; S295-E297 PolarHBondContact OG-N 3.28Å; S295-E297 VanDerWaalsContact OG-N 3.15Å; E297-R318 WeakPolarHBondContact O-CB 3.35Å; E297-R318 PolarHBondContact O-N 2.84Å
298T67.2Low64.4Low43 Ų4382.6 Ų82.626%0.26440%0.404SS..EExtended strand (participates in β ladder)trans-124.6145.5-179.861.40000112S295 I316S295-T298 WeakPolarHBondContact CB-OG1 3.09Å; T298-I316 CarbonylContact C-O 3.59Å; T298-I316 WeakPolarHBondContact CA-O 3.39Å
299F66.7Low64.8Low39 Ų3981.9 Ų81.917%0.17141%0.412CS..EExtended strand (participates in β ladder)trans-93.5120.1171.4-66.7-71.1000109H315 I316 R318 F321F299-H315 VanDerWaalsContact O-CA 3.28Å; F299-H315 WeakPolarHBondContact O-CA 3.28Å; F299-I316 HydrophobicContact CB-CB 4.47Å; F299-I316 PolarHBondContact N-O 3.07Å; F299-I316 PolarHBondContact O-N 2.86Å; F299-R318 HydrophobicContact CD2-CB 4.43Å; F299-R318 HydrophobicContact CE2-CB 3.89Å; F299-R318 HydrophobicContact CE2-CG 3.83Å; F299-R318 HydrophobicContact CZ-CB 4.39Å; F299-R318 HydrophobicContact CZ-CG 3.93Å; F299-F321 AromaticContact CD2-CD2 3.69Å; F299-F321 HydrophobicContact CD2-CD2 3.69Å; F299-F321 AromaticContact CD2-CE2 3.87Å; F299-F321 HydrophobicContact CD2-CE2 3.87Å; F299-F321 HydrophobicContact CD2-CG 4.14Å; F299-F321 HydrophobicContact CD2-CZ 4.5Å; F299-F321 HydrophobicContact CE2-CB 3.92Å; F299-F321 HydrophobicContact CE2-CD1 4.01Å; F299-F321 AromaticContact CE2-CD2 3.64Å; F299-F321 HydrophobicContact CE2-CD2 3.64Å; F299-F321 HydrophobicContact CE2-CE1 4.4Å; F299-F321 HydrophobicContact CE2-CE2 4.04Å; F299-F321 AromaticContact CE2-CG 3.59Å; F299-F321 HydrophobicContact CE2-CG 3.59Å; F299-F321 HydrophobicContact CE2-CZ 4.4Å; F299-F321 HydrophobicContact CZ-CD1 4.46Å; F299-F321 HydrophobicContact CZ-CG 4.45Å
300D68.1Low65.2Low48 Ų4879 Ų7926%0.25741%0.41SS..EExtended strand (participates in β ladder)trans-83.5120.1168.8-176.410000110.1S302 H315D300-S302 WeakPolarHBondContact OD1-CB 3.5Å; D300-S302 PolarHBondContact OD1-N 3.4Å; D300-S302 PolarHBondContact OD1-OG 2.94Å; D300-S302 PolarHBondContact OD2-OG 3.46Å; D300-H315 IonicContact OD1-CE1 3.81Å
301L68.7Low65.7Low7 Ų778.4 Ų78.44%0.03742%0.416CS..  trans-971177.2-71.1129.2000113.5L139 Y303 Y304 L306 I314 I316L139-L301 HydrophobicContact CD2-CD2 4.21Å; L301-Y303 PolarHBondContact O-N 3.35Å; L301-Y304 HydrophobicContact CD2-CD2 4.38Å; L301-Y304 PolarHBondContact O-N 3.09Å; L301-L306 HydrophobicContact CB-CB 4.11Å; L301-I314 HydrophobicContact CD1-CB 4.46Å; L301-I314 HydrophobicContact CD1-CG2 4.08Å; L301-I314 PolarHBondContact N-O 3.36Å; L301-I314 VanDerWaalsContact N-O 3.12Å; L301-I316 HydrophobicContact CD1-CB 4.46Å; L301-I316 HydrophobicContact CD1-CD1 3.37Å; L301-I316 HydrophobicContact CD1-CG1 3.55Å
302S69.5Low66.2Low22 Ų2276.8 Ų76.815%0.15441%0.411CS..G310 helixtrans-55-34.7178.970.60000113D300 Y304 G305D300-S302 WeakPolarHBondContact OD1-CB 3.5Å; D300-S302 PolarHBondContact OD1-N 3.4Å; D300-S302 PolarHBondContact OD1-OG 2.94Å; D300-S302 PolarHBondContact OD2-OG 3.46Å; S302-Y304 PolarHBondContact O-N 3.37Å; S302-Y304 VanDerWaalsContact O-N 3.12Å; S302-G305 PolarHBondContact O-N 2.94Å
303Y64.6Low66.8Low199 Ų19968.3 Ų68.378%0.7838%0.379SS*.G310 helixtrans-58.7-25.9177.1-172.1-96.9000113.3L301L301-Y303 PolarHBondContact O-N 3.35Å
304Y65Low67.5Low73 Ų7364.5 Ų64.529%0.28636%0.362SS..G310 helixtrans-94.94.7177.5-57.1-73000113L138 N142 L301 S302 L306L138-Y304 HydrophobicContact CD1-CD1 3.86Å; L138-Y304 HydrophobicContact CD1-CE1 4.37Å; L138-Y304 HydrophobicContact CD1-CG 4.16Å; L138-Y304 HydrophobicContact CD2-CD1 3.82Å; L138-Y304 HydrophobicContact CD2-CE1 3.49Å; L138-Y304 VanDerWaalsContact CD2-CE1 3.49Å; L138-Y304 HydrophobicContact CG-CD1 4.41Å; L138-Y304 HydrophobicContact CG-CE1 4.43Å; N142-Y304 PolarHBondContact ND2-OH 2.77Å; N142-Y304 VanDerWaalsContact ND2-OH 3.16Å; N142-Y304 PolarHBondContact OD1-OH 2.89Å; L301-Y304 HydrophobicContact CD2-CD2 4.38Å; L301-Y304 PolarHBondContact O-N 3.09Å; S302-Y304 PolarHBondContact O-N 3.37Å; S302-Y304 VanDerWaalsContact O-N 3.12Å; Y304-L306 VanDerWaalsContact C-N 3.34Å
305G68.2Low68.2Low48 Ų4861.5 Ų61.550%0.49534%0.335SS..THydrogen-bonded Turntrans76.617.6-177.800000114.2S302 Y307S302-G305 PolarHBondContact O-N 2.94Å; G305-Y307 VanDerWaalsContact O-CD2 3.32Å; G305-Y307 WeakPolarHBondContact O-CD2 3.34Å
306L69.5Low68.5Low26 Ų2660 Ų6014%0.13632%0.324CS..  trans-89.1114.9175.8-80.987.8000110.5L51 I135 L301 Y304 I314L51-L306 HydrophobicContact CD2-CD2 3.35Å; I135-L306 HydrophobicContact CD1-CD2 4.48Å; L301-L306 HydrophobicContact CB-CB 4.11Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; L306-I314 HydrophobicContact CB-CD1 4.38Å
307Y71.2Confident68.8Low110 Ų11057.6 Ų57.643%0.43132%0.322SS..BIsolated β-bridgetrans-122.4153.5176.3-58.1-83.1000109.6F291 G305 G311 L312F291-Y307 HydrophobicContact CE1-CD1 4.45Å; F291-Y307 AromaticContact CE1-CE1 3.91Å; F291-Y307 HydrophobicContact CE1-CE1 3.91Å; G305-Y307 VanDerWaalsContact O-CD2 3.32Å; G305-Y307 WeakPolarHBondContact O-CD2 3.34Å; Y307-G311 WeakPolarHBondContact CD1-O 3.49Å; Y307-L312 CarbonylContact C-O 3.57Å; Y307-L312 VanDerWaalsContact CA-O 3.24Å; Y307-L312 WeakPolarHBondContact CA-O 3.23Å
308D70.3Confident68.8Low56 Ų5654.2 Ų54.230%0.29930%0.303SS..  trans-72.1-176.9174.581.7-12.1000111.5S310 G311 L312 I314D308-S310 PolarHBondContact O-N 3.23Å; D308-S310 VanDerWaalsContact OD1-C 3.26Å; D308-S310 VanDerWaalsContact OD1-CA 3.26Å; D308-S310 WeakPolarHBondContact OD1-CA 3.31Å; D308-S310 WeakPolarHBondContact OD1-CB 3.46Å; D308-S310 PolarHBondContact OD1-N 3.36Å; D308-S310 PolarHBondContact OD1-OG 3.21Å; D308-S310 PolarHBondContact OD2-OG 3.44Å; D308-G311 PolarHBondContact O-N 3.08Å; D308-G311 VanDerWaalsContact O-N 3.15Å; D308-G311 PolarHBondContact OD1-N 3.13Å; D308-L312 PolarHBondContact N-O 3.01Å; D308-L312 PolarHBondContact OD1-N 3.39Å; D308-I314 HydrophobicContact CB-CG1 4.2Å
309A66.5Low68.8Low76 Ų7656.4 Ų56.463%0.62833%0.325SS*.THydrogen-bonded Turntrans-64.6-18.4177.400000114.1
310S72.1Confident68.7Low84 Ų8458.2 Ų58.259%0.58734%0.337SS*.THydrogen-bonded Turntrans-94.9-2.4177.574.20000113.5D308 L312D308-S310 PolarHBondContact O-N 3.23Å; D308-S310 VanDerWaalsContact OD1-C 3.26Å; D308-S310 VanDerWaalsContact OD1-CA 3.26Å; D308-S310 WeakPolarHBondContact OD1-CA 3.31Å; D308-S310 WeakPolarHBondContact OD1-CB 3.46Å; D308-S310 PolarHBondContact OD1-N 3.36Å; D308-S310 PolarHBondContact OD1-OG 3.21Å; D308-S310 PolarHBondContact OD2-OG 3.44Å; S310-L312 WeakPolarHBondContact OG-CD1 3.34Å; S310-L312 WeakPolarHBondContact OG-CG 3.44Å
311G69.6Low68.6Low39 Ų3956.2 Ų56.240%0.40233%0.326SS..SBendtrans83.39.8-176.500000114.1Y307 D308Y307-G311 WeakPolarHBondContact CD1-O 3.49Å; D308-G311 PolarHBondContact O-N 3.08Å; D308-G311 VanDerWaalsContact O-N 3.15Å; D308-G311 PolarHBondContact OD1-N 3.13Å
312L71.4Confident68.5Low44 Ų4459.4 Ų59.423%0.2335%0.347CS..PPolyproline II helixtrans-84.4150.2176.8-67.9175.8000111.5L282 L290 Y307 D308 S310L282-L312 HydrophobicContact CD2-CD2 4.07Å; L290-L312 HydrophobicContact CD1-CD2 4.18Å; L290-L312 HydrophobicContact CD2-CD2 4.29Å; Y307-L312 CarbonylContact C-O 3.57Å; Y307-L312 VanDerWaalsContact CA-O 3.24Å; Y307-L312 WeakPolarHBondContact CA-O 3.23Å; D308-L312 PolarHBondContact N-O 3.01Å; D308-L312 PolarHBondContact OD1-N 3.39Å; S310-L312 WeakPolarHBondContact OG-CD1 3.34Å; S310-L312 WeakPolarHBondContact OG-CG 3.44Å
313P69.2Low68.4Low9 Ų965.6 Ų65.66%0.05837%0.374CS..BIsolated β-bridgetrans-63.4136.1177.627.6-34.9000111.2L290 F291 H315L290-P313 VanDerWaalsContact O-CG 3.3Å; L290-P313 WeakPolarHBondContact O-CG 3.39Å; F291-P313 HydrophobicContact CD1-CG 4.25Å; P313-H315 PolarHBondContact O-N 3.39Å
314I71.2Confident68.6Low11 Ų1160.3 Ų60.36%0.05635%0.352CS..PPolyproline II helixtrans-80.9120.3176.7-60.4179000109L51 A53 L301 L306 D308 I316L51-I314 HydrophobicContact CB-CD1 4.48Å; L51-I314 HydrophobicContact CB-CG2 4.42Å; L51-I314 HydrophobicContact CD2-CD1 4.37Å; L51-I314 HydrophobicContact CG-CG2 4.49Å; L51-I314 WeakPolarHBondContact O-CG2 3.46Å; A53-I314 HydrophobicContact CB-CD1 4.06Å; L301-I314 HydrophobicContact CD1-CB 4.46Å; L301-I314 HydrophobicContact CD1-CG2 4.08Å; L301-I314 PolarHBondContact N-O 3.36Å; L301-I314 VanDerWaalsContact N-O 3.12Å; L306-I314 HydrophobicContact CB-CD1 4.38Å; D308-I314 HydrophobicContact CB-CG1 4.2Å; I314-I316 HydrophobicContact CG2-CG1 4.32Å
315H72.3Confident69Low59 Ų5957.1 Ų57.127%0.27334%0.34SS..EExtended strand (participates in β ladder)trans-106.5125.5173.3-62.2-69.5000111.1F299 D300 P313F299-H315 VanDerWaalsContact O-CA 3.28Å; F299-H315 WeakPolarHBondContact O-CA 3.28Å; D300-H315 IonicContact OD1-CE1 3.81Å; P313-H315 PolarHBondContact O-N 3.39Å
316I69.3Low69.6Low10 Ų1062.2 Ų62.25%0.05135%0.346CS..EExtended strand (participates in β ladder)trans-108.2130177-60-179.7000110.6L50 L51 L139 T298 F299 L301 I314 R318 F321L50-I316 HydrophobicContact CD1-CG2 4.49Å; L50-I316 HydrophobicContact CG-CD1 4.3Å; L51-I316 HydrophobicContact CD1-CD1 4.1Å; L51-I316 HydrophobicContact CG-CD1 4.14Å; L139-I316 HydrophobicContact CD2-CD1 4.24Å; T298-I316 CarbonylContact C-O 3.59Å; T298-I316 WeakPolarHBondContact CA-O 3.39Å; F299-I316 HydrophobicContact CB-CB 4.47Å; F299-I316 PolarHBondContact N-O 3.07Å; F299-I316 PolarHBondContact O-N 2.86Å; L301-I316 HydrophobicContact CD1-CB 4.46Å; L301-I316 HydrophobicContact CD1-CD1 3.37Å; L301-I316 HydrophobicContact CD1-CG1 3.55Å; I314-I316 HydrophobicContact CG2-CG1 4.32Å; I316-R318 PolarHBondContact O-N 3.29Å; I316-F321 HydrophobicContact CG2-CD2 4Å; I316-F321 HydrophobicContact CG2-CE2 4.44Å
317A69.4Low70.2Confident57 Ų5764.3 Ų64.347%0.47136%0.357SS..EExtended strand (participates in β ladder)trans-65.1130.217400000112.3A319A317-A319 PolarHBondContact O-N 3.33Å
318R65.2Low70.8Confident79 Ų7959.2 Ų59.230%0.29834%0.337SS..G310 helixtrans-69.5-31.7-174.2-178.9178.8-73.8-179.84.5113.8Q296 E297 F299 I316 N320 F321Q296-R318 PolarHBondContact O-NE 2.96Å; Q296-R318 VanDerWaalsContact O-NE 3.12Å; Q296-R318 PolarHBondContact O-NH1 3.21Å; Q296-R318 PolarHBondContact O-NH2 3.46Å; E297-R318 WeakPolarHBondContact O-CB 3.35Å; E297-R318 PolarHBondContact O-N 2.84Å; F299-R318 HydrophobicContact CD2-CB 4.43Å; F299-R318 HydrophobicContact CE2-CB 3.89Å; F299-R318 HydrophobicContact CE2-CG 3.83Å; F299-R318 HydrophobicContact CZ-CB 4.39Å; F299-R318 HydrophobicContact CZ-CG 3.93Å; I316-R318 PolarHBondContact O-N 3.29Å; R318-N320 VanDerWaalsContact C-N 3.26Å; R318-N320 PolarHBondContact O-N 2.91Å; R318-F321 VanDerWaalsContact O-CB 3.29Å; R318-F321 WeakPolarHBondContact O-CB 3.4Å; R318-F321 PolarHBondContact O-N 3.23Å; R318-F321 VanDerWaalsContact O-N 3.16Å
319A66.6Low71.4Confident88 Ų8858.9 Ų58.973%0.72734%0.335SS*.G310 helixtrans-59.6-34-172.600000113.6A317A317-A319 PolarHBondContact O-N 3.33Å
320N64.9Low72.4Confident77 Ų7757.6 Ų57.641%0.41232%0.319SS..G310 helixtrans-1016.6-177.7-60.9-22.2000113R318 R324R318-N320 VanDerWaalsContact C-N 3.26Å; R318-N320 PolarHBondContact O-N 2.91Å; N320-R324 WeakPolarHBondContact O-CB 3.36Å; N320-R324 WeakPolarHBondContact O-CD 3.38Å; N320-R324 WeakPolarHBondContact O-CG 3.48Å; N320-R324 PolarHBondContact O-N 2.92Å
321F65.5Low73.1Confident7 Ų754.1 Ų54.13%0.03130%0.295CS..Hα-helixtrans-70.9-45.5-171-163.7-93.1000115.6L139 F299 I316 R318 R324 T325L139-F321 HydrophobicContact CB-CE1 4.33Å; L139-F321 HydrophobicContact CB-CE2 4.4Å; L139-F321 HydrophobicContact CB-CZ 3.62Å; L139-F321 HydrophobicContact CD2-CE2 3.49Å; L139-F321 VanDerWaalsContact CD2-CE2 3.49Å; L139-F321 HydrophobicContact CD2-CZ 3.51Å; L139-F321 HydrophobicContact CG-CE2 4.47Å; L139-F321 HydrophobicContact CG-CZ 4.13Å; L139-F321 VanDerWaalsContact O-CE1 3.26Å; L139-F321 WeakPolarHBondContact O-CE1 3.35Å; L139-F321 WeakPolarHBondContact O-CZ 3.47Å; F299-F321 AromaticContact CD2-CD2 3.69Å; F299-F321 HydrophobicContact CD2-CD2 3.69Å; F299-F321 AromaticContact CD2-CE2 3.87Å; F299-F321 HydrophobicContact CD2-CE2 3.87Å; F299-F321 HydrophobicContact CD2-CG 4.14Å; F299-F321 HydrophobicContact CD2-CZ 4.5Å; F299-F321 HydrophobicContact CE2-CB 3.92Å; F299-F321 HydrophobicContact CE2-CD1 4.01Å; F299-F321 AromaticContact CE2-CD2 3.64Å; F299-F321 HydrophobicContact CE2-CD2 3.64Å; F299-F321 HydrophobicContact CE2-CE1 4.4Å; F299-F321 HydrophobicContact CE2-CE2 4.04Å; F299-F321 AromaticContact CE2-CG 3.59Å; F299-F321 HydrophobicContact CE2-CG 3.59Å; F299-F321 HydrophobicContact CE2-CZ 4.4Å; F299-F321 HydrophobicContact CZ-CD1 4.46Å; F299-F321 HydrophobicContact CZ-CG 4.45Å; I316-F321 HydrophobicContact CG2-CD2 4Å; I316-F321 HydrophobicContact CG2-CE2 4.44Å; R318-F321 VanDerWaalsContact O-CB 3.29Å; R318-F321 WeakPolarHBondContact O-CB 3.4Å; R318-F321 PolarHBondContact O-N 3.23Å; R318-F321 VanDerWaalsContact O-N 3.16Å; F321-R324 PolarHBondContact O-N 3.49Å; F321-T325 WeakPolarHBondContact CE1-OG1 3.38Å; F321-T325 WeakPolarHBondContact O-CB 3.41Å; F321-T325 PolarHBondContact O-N 2.88Å; F321-T325 PolarHBondContact O-OG1 3.37Å
322P67Low74Confident74 Ų7453.4 Ų53.448%0.48128%0.282SS..Hα-helixtrans-68.1-43.1-174.624.1-31.6000112.3R324 T325 Y326P322-R324 VanDerWaalsContact C-N 3.32Å; P322-R324 PolarHBondContact O-N 2.84Å; P322-T325 PolarHBondContact O-N 3.49Å; P322-Y326 PolarHBondContact O-N 3.02Å
323E68.1Low74.8Confident152 Ų15256.8 Ų56.871%0.7130%0.3SS*.Hα-helixtrans-60.5-43.8175.6-68.1-175.7172.100111T325 Y326E323-T325 VanDerWaalsContact C-N 3.35Å; E323-T325 PolarHBondContact O-N 3.36Å; E323-Y326 PolarHBondContact O-N 3.09Å
324R68.6Low75.9Confident88 Ų8860.7 Ų60.733%0.33232%0.32SS..Hα-helixtrans-72.2-27-178.4-66.2-176.4-175.8-168.4-2.5114Y46 L50 N320 F321 P322Y46-R324 HydrophobicContact CE1-CB 4Å; Y46-R324 HydrophobicContact CE1-CG 4.49Å; Y46-R324 VanDerWaalsContact CE1-O 3.27Å; Y46-R324 WeakPolarHBondContact CE1-O 3.35Å; Y46-R324 WeakPolarHBondContact OH-CA 3.36Å; Y46-R324 WeakPolarHBondContact OH-CB 3.37Å; Y46-R324 WeakPolarHBondContact OH-CG 3.5Å; L50-R324 HydrophobicContact CD1-CB 3.84Å; L50-R324 HydrophobicContact CD1-CG 4.23Å; N320-R324 WeakPolarHBondContact O-CB 3.36Å; N320-R324 WeakPolarHBondContact O-CD 3.38Å; N320-R324 WeakPolarHBondContact O-CG 3.48Å; N320-R324 PolarHBondContact O-N 2.92Å; F321-R324 PolarHBondContact O-N 3.49Å; P322-R324 VanDerWaalsContact C-N 3.32Å; P322-R324 PolarHBondContact O-N 2.84Å
325T73.4Confident76.8Confident5 Ų560.6 Ų60.63%0.03132%0.32CS..Hα-helixtrans-71.7-33.9176.8-56.10000111.2Y140 F321 P322 E323 I328 L329Y140-T325 HydrophobicContact CD2-CG2 4.4Å; F321-T325 WeakPolarHBondContact CE1-OG1 3.38Å; F321-T325 WeakPolarHBondContact O-CB 3.41Å; F321-T325 PolarHBondContact O-N 2.88Å; F321-T325 PolarHBondContact O-OG1 3.37Å; P322-T325 PolarHBondContact O-N 3.49Å; E323-T325 VanDerWaalsContact C-N 3.35Å; E323-T325 PolarHBondContact O-N 3.36Å; T325-I328 PolarHBondContact O-N 3.35Å; T325-L329 HydrophobicContact CG2-CD1 4.17Å; T325-L329 HydrophobicContact CG2-CG 4.45Å; T325-L329 WeakPolarHBondContact O-CG 3.35Å; T325-L329 PolarHBondContact O-N 2.8Å
326Y80.1Confident77.6Confident156 Ų15661 Ų6161%0.61233%0.326SS*.Hα-helixtrans-60.3-46.7177.6-177.4-96.1000112.3P322 E323 I328 L329 V330P322-Y326 PolarHBondContact O-N 3.02Å; E323-Y326 PolarHBondContact O-N 3.09Å; Y326-I328 VanDerWaalsContact C-N 3.28Å; Y326-I328 PolarHBondContact O-N 3.2Å; Y326-L329 PolarHBondContact O-N 3.48Å; Y326-L329 VanDerWaalsContact O-N 3.11Å; Y326-V330 HydrophobicContact CD1-CG2 4.01Å; Y326-V330 HydrophobicContact CE1-CG2 3.59Å; Y326-V330 HydrophobicContact CE2-CG2 4.43Å; Y326-V330 WeakPolarHBondContact O-CG2 3.44Å; Y326-V330 PolarHBondContact O-N 3.2Å
327D82.3Confident78.7Confident69 Ų6962.6 Ų62.637%0.36934%0.342SS..Hα-helixtrans-58.3-41.1179.3-70.1-20.6000112Y46 C331Y46-D327 HydrophobicContact CE1-CB 4.12Å; Y46-D327 HydrophobicContact CE2-CB 3.91Å; Y46-D327 WeakPolarHBondContact CE2-OD2 3.26Å; Y46-D327 VanDerWaalsContact CZ-OD2 3.29Å; Y46-D327 PolarHBondContact OH-OD2 3.48Å; D327-C331 PolarHBondContact O-N 3.18Å; D327-C331 PolarHBondContact O-SG 3.37Å
328I83.2Confident79.8Confident3 Ų359.9 Ų59.92%0.01532%0.319CS..Hα-helixtrans-67-42.8177.4-61.2174.1000110.6Y46 L47 L50 A136 L139 T325 Y326 V330 C331 V332Y46-I328 HydrophobicContact CD1-CD1 3.81Å; Y46-I328 HydrophobicContact CD1-CG1 3.44Å; Y46-I328 VanDerWaalsContact CD1-CG1 3.44Å; Y46-I328 HydrophobicContact CE1-CD1 4.12Å; Y46-I328 HydrophobicContact CE1-CG1 3.82Å; Y46-I328 HydrophobicContact CG-CG1 4.4Å; L47-I328 HydrophobicContact CD1-CD1 4.13Å; L50-I328 HydrophobicContact CD2-CD1 3.64Å; A136-I328 HydrophobicContact CB-CG2 3.52Å; L139-I328 HydrophobicContact CD1-CD1 4.22Å; T325-I328 PolarHBondContact O-N 3.35Å; Y326-I328 VanDerWaalsContact C-N 3.28Å; Y326-I328 PolarHBondContact O-N 3.2Å; I328-V330 VanDerWaalsContact C-N 3.35Å; I328-V330 PolarHBondContact O-N 3.48Å; I328-C331 WeakPolarHBondContact O-CB 3.31Å; I328-C331 PolarHBondContact O-N 3.06Å; I328-C331 VanDerWaalsContact O-N 3.16Å; I328-V332 WeakPolarHBondContact O-CG2 3.44Å; I328-V332 PolarHBondContact O-N 3.43Å
329L83.1Confident81Confident49 Ų4957.5 Ų57.526%0.25731%0.312SS..Hα-helixtrans-62.9-40.2178.6-74.7170.7000112.2Y140 T325 Y326 C331 V332 I333Y140-L329 HydrophobicContact CD2-CD1 4.06Å; Y140-L329 HydrophobicContact CE2-CD1 4.42Å; T325-L329 HydrophobicContact CG2-CD1 4.17Å; T325-L329 HydrophobicContact CG2-CG 4.45Å; T325-L329 WeakPolarHBondContact O-CG 3.35Å; T325-L329 PolarHBondContact O-N 2.8Å; Y326-L329 PolarHBondContact O-N 3.48Å; Y326-L329 VanDerWaalsContact O-N 3.11Å; L329-C331 VanDerWaalsContact C-N 3.28Å; L329-C331 PolarHBondContact O-N 2.94Å; L329-V332 PolarHBondContact O-N 3.26Å; L329-V332 VanDerWaalsContact O-N 3.16Å; L329-I333 WeakPolarHBondContact O-CG1 3.27Å; L329-I333 PolarHBondContact O-N 3.4Å
330V87.5Confident82.3Confident50 Ų5058.8 Ų58.830%0.30330%0.301SS..Hα-helixtrans-58.5-43.2173.9172.70000110.5Y326 I328 V332 I333 L334Y326-V330 HydrophobicContact CD1-CG2 4.01Å; Y326-V330 HydrophobicContact CE1-CG2 3.59Å; Y326-V330 HydrophobicContact CE2-CG2 4.43Å; Y326-V330 WeakPolarHBondContact O-CG2 3.44Å; Y326-V330 PolarHBondContact O-N 3.2Å; I328-V330 VanDerWaalsContact C-N 3.35Å; I328-V330 PolarHBondContact O-N 3.48Å; V330-V332 PolarHBondContact O-N 3.17Å; V330-I333 PolarHBondContact O-N 3.49Å; V330-L334 HydrophobicContact CG1-CD1 4.12Å; V330-L334 HydrophobicContact CG1-CG 4.49Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.47Å
331C88.3Confident83.6Confident10 Ų1058.5 Ų58.57%0.06830%0.3CS..Hα-helixtrans-63.7-40176.4-610000112.3A39 F42 A43 D327 I328 L329 L334 A335A39-C331 WeakPolarHBondContact CB-O 3.42Å; F42-C331 WeakPolarHBondContact CD1-SG 3.33Å; A43-C331 HydrophobicContact CB-CB 3.82Å; D327-C331 PolarHBondContact O-N 3.18Å; D327-C331 PolarHBondContact O-SG 3.37Å; I328-C331 WeakPolarHBondContact O-CB 3.31Å; I328-C331 PolarHBondContact O-N 3.06Å; I328-C331 VanDerWaalsContact O-N 3.16Å; L329-C331 VanDerWaalsContact C-N 3.28Å; L329-C331 PolarHBondContact O-N 2.94Å; C331-L334 PolarHBondContact O-N 3.21Å; C331-A335 WeakPolarHBondContact O-CB 3.48Å; C331-A335 PolarHBondContact O-N 2.72Å
332V86.7Confident84.9Confident24 Ų2458.8 Ų58.815%0.14530%0.301CS..Hα-helixtrans-62.6-43.4175.5172.70000111.1V133 A136 I328 L329 V330 A335 V336V133-V332 HydrophobicContact CG2-CG1 3.96Å; V133-V332 HydrophobicContact CG2-CG2 4.15Å; A136-V332 HydrophobicContact CB-CG2 4.21Å; I328-V332 WeakPolarHBondContact O-CG2 3.44Å; I328-V332 PolarHBondContact O-N 3.43Å; L329-V332 PolarHBondContact O-N 3.26Å; L329-V332 VanDerWaalsContact O-N 3.16Å; V330-V332 PolarHBondContact O-N 3.17Å; V332-A335 PolarHBondContact O-N 2.87Å; V332-V336 HydrophobicContact CG1-CG2 4.49Å; V332-V336 WeakPolarHBondContact O-CG2 3.28Å; V332-V336 PolarHBondContact O-N 3.22Å
333I89.5Confident86.1Confident116 Ų11657.7 Ų57.760%0.59529%0.291SS*.Hα-helixtrans-62.1-45.3177-67.3166.2000110.8L329 V330 A335 V336 A337L329-I333 WeakPolarHBondContact O-CG1 3.27Å; L329-I333 PolarHBondContact O-N 3.4Å; V330-I333 PolarHBondContact O-N 3.49Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.09Å; I333-V336 PolarHBondContact O-N 2.84Å; I333-A337 WeakPolarHBondContact O-CB 3.36Å; I333-A337 PolarHBondContact O-N 3.42Å
334L91.9Very high87.4Confident91 Ų9156.6 Ų56.648%0.47628%0.284SS..Hα-helixtrans-62.4-39.3176.3-71.6174.1000112A39 V330 C331 A337 G338A39-L334 HydrophobicContact CB-CB 4.03Å; V330-L334 HydrophobicContact CG1-CD1 4.12Å; V330-L334 HydrophobicContact CG1-CG 4.49Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.47Å; C331-L334 PolarHBondContact O-N 3.21Å; L334-A337 PolarHBondContact O-N 3.4Å; L334-G338 PolarHBondContact O-N 3.37Å
335A89.8Confident88.5Confident8 Ų852.4 Ų52.47%0.06627%0.268CS..Hα-helixtrans-63.9-44.6175.800000111.6F36 A39 I40 C331 V332 I333 G338 I339F36-A335 HydrophobicContact CD2-CB 4.26Å; A39-A335 HydrophobicContact CB-CB 3.95Å; I40-A335 HydrophobicContact CG1-CB 4.32Å; C331-A335 WeakPolarHBondContact O-CB 3.48Å; C331-A335 PolarHBondContact O-N 2.72Å; V332-A335 PolarHBondContact O-N 2.87Å; I333-A335 VanDerWaalsContact C-N 3.32Å; I333-A335 PolarHBondContact O-N 3.09Å; A335-G338 PolarHBondContact O-N 3.39Å; A335-I339 WeakPolarHBondContact O-CG1 3.44Å; A335-I339 PolarHBondContact O-N 3.01Å
336V89.5Confident89.5Confident67 Ų6752.3 Ų52.341%0.40627%0.268SS..Hα-helixtrans-63.6-45.5176.6170.80000111.2V332 I333 G338 I339 F340V332-V336 HydrophobicContact CG1-CG2 4.49Å; V332-V336 WeakPolarHBondContact O-CG2 3.28Å; V332-V336 PolarHBondContact O-N 3.22Å; I333-V336 PolarHBondContact O-N 2.84Å; V336-G338 VanDerWaalsContact C-N 3.28Å; V336-G338 PolarHBondContact O-N 2.97Å; V336-I339 WeakPolarHBondContact O-CB 3.34Å; V336-I339 PolarHBondContact O-N 3.41Å; V336-I339 VanDerWaalsContact O-N 3.16Å; V336-F340 HydrophobicContact CG1-CD2 3.84Å; V336-F340 HydrophobicContact CG1-CE2 3.51Å; V336-F340 WeakPolarHBondContact O-CD2 3.14Å; V336-F340 PolarHBondContact O-N 2.98Å
337A92.6Very high90.1Very high45 Ų4548.9 Ų48.937%0.37226%0.259SS..Hα-helixtrans-59.4-40.1174.300000111.6I333 L334 I339 F340 L341I333-A337 WeakPolarHBondContact O-CB 3.36Å; I333-A337 PolarHBondContact O-N 3.42Å; L334-A337 PolarHBondContact O-N 3.4Å; A337-I339 PolarHBondContact O-N 2.98Å; A337-F340 PolarHBondContact O-N 3.36Å; A337-L341 WeakPolarHBondContact O-CG 3.5Å; A337-L341 PolarHBondContact O-N 2.92Å
338G92.4Very high90.5Very high0 Ų048.2 Ų48.20%025%0.254CS..Hα-helixtrans-59.5-42.3173.600000113.1G32 L334 A335 V336 L341 L342G32-G338 CarbonylContact C-O 3.52Å; G32-G338 WeakPolarHBondContact CA-O 3.33Å; G32-G338 WeakPolarHBondContact O-CA 3.39Å; L334-G338 PolarHBondContact O-N 3.37Å; A335-G338 PolarHBondContact O-N 3.39Å; V336-G338 VanDerWaalsContact C-N 3.28Å; V336-G338 PolarHBondContact O-N 2.97Å; G338-L341 PolarHBondContact O-N 3.02Å; G338-L342 WeakPolarHBondContact O-CG 3.4Å; G338-L342 PolarHBondContact O-N 3.12Å
339I90.9Very high91Very high29 Ų2948.1 Ų48.115%0.14925%0.253CS..Hα-helixtrans-62-44.7174.2-64.6166.2000110.9F36 A125 A335 V336 A337 L341 L342 L343F36-I339 HydrophobicContact CD2-CD1 3.95Å; F36-I339 HydrophobicContact CD2-CG1 3.59Å; F36-I339 HydrophobicContact CE2-CD1 3.83Å; F36-I339 HydrophobicContact CE2-CG1 3.89Å; F36-I339 HydrophobicContact CG-CG1 4.42Å; A125-I339 HydrophobicContact CB-CD1 4.44Å; A125-I339 HydrophobicContact CB-CG1 4.47Å; A335-I339 WeakPolarHBondContact O-CG1 3.44Å; A335-I339 PolarHBondContact O-N 3.01Å; V336-I339 WeakPolarHBondContact O-CB 3.34Å; V336-I339 PolarHBondContact O-N 3.41Å; V336-I339 VanDerWaalsContact O-N 3.16Å; A337-I339 PolarHBondContact O-N 2.98Å; I339-L341 VanDerWaalsContact C-N 3.35Å; I339-L341 PolarHBondContact O-N 3.44Å; I339-L342 WeakPolarHBondContact O-CB 3.36Å; I339-L342 PolarHBondContact O-N 3.13Å; I339-L343 HydrophobicContact CG2-CD1 4.35Å; I339-L343 WeakPolarHBondContact O-CG 3.46Å; I339-L343 PolarHBondContact O-N 3.33Å
340F92.6Very high91.4Very high114 Ų11447.4 Ų47.450%0.525%0.249SC..Hα-helixtrans-61.8-42.8176.7-77.7-67.1000112.2V336 A337 L342 L343 F344V336-F340 HydrophobicContact CG1-CD2 3.84Å; V336-F340 HydrophobicContact CG1-CE2 3.51Å; V336-F340 WeakPolarHBondContact O-CD2 3.14Å; V336-F340 PolarHBondContact O-N 2.98Å; A337-F340 PolarHBondContact O-N 3.36Å; F340-L342 VanDerWaalsContact C-N 3.34Å; F340-L342 PolarHBondContact O-N 3.3Å; F340-L343 PolarHBondContact O-N 2.95Å; F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CB-CE2 4.36Å; F340-F344 WeakPolarHBondContact O-CD2 2.96Å; F340-F344 PolarHBondContact O-N 3.02Å
341L93.6Very high91.6Very high72 Ų7248.5 Ų48.538%0.37725%0.253SS..Hα-helixtrans-60.4-43.4174.2-71.5175.9000111.6I28 A337 G338 I339 L343 F344 G345I28-L341 HydrophobicContact CG2-CB 4.31Å; I28-L341 HydrophobicContact CG2-CD2 4.33Å; I28-L341 WeakPolarHBondContact CG2-O 3.34Å; A337-L341 WeakPolarHBondContact O-CG 3.5Å; A337-L341 PolarHBondContact O-N 2.92Å; G338-L341 PolarHBondContact O-N 3.02Å; I339-L341 VanDerWaalsContact C-N 3.35Å; I339-L341 PolarHBondContact O-N 3.44Å; L341-L343 VanDerWaalsContact C-N 3.33Å; L341-L343 PolarHBondContact O-N 3.49Å; L341-F344 PolarHBondContact O-N 3.49Å; L341-G345 PolarHBondContact O-N 3Å
342L92.3Very high91.7Very high13 Ų1348.1 Ų48.17%0.06825%0.25CS..Hα-helixtrans-55.7-48.2173.6-77.4171.2000111.7V29 I71 G338 I339 F340 G345 Y346V29-L342 HydrophobicContact CB-CD2 4.41Å; V29-L342 HydrophobicContact CG1-CD2 3.71Å; V29-L342 VanDerWaalsContact O-CD2 3.22Å; V29-L342 WeakPolarHBondContact O-CD2 3.46Å; I71-L342 HydrophobicContact CG2-CD2 3.79Å; G338-L342 WeakPolarHBondContact O-CG 3.4Å; G338-L342 PolarHBondContact O-N 3.12Å; I339-L342 WeakPolarHBondContact O-CB 3.36Å; I339-L342 PolarHBondContact O-N 3.13Å; F340-L342 VanDerWaalsContact C-N 3.34Å; F340-L342 PolarHBondContact O-N 3.3Å; L342-G345 PolarHBondContact O-N 3.21Å; L342-Y346 VanDerWaalsContact O-CD2 3.25Å; L342-Y346 WeakPolarHBondContact O-CD2 3.5Å; L342-Y346 PolarHBondContact O-N 2.82Å
343L92.6Very high91.9Very high50 Ų5047 Ų4726%0.26224%0.243SC..Hα-helixtrans-61.7-48178.6-67.2176.3000111.5V118 I339 F340 L341 G345 Y346 I347V118-L343 HydrophobicContact CG1-CD2 3.65Å; I339-L343 HydrophobicContact CG2-CD1 4.35Å; I339-L343 WeakPolarHBondContact O-CG 3.46Å; I339-L343 PolarHBondContact O-N 3.33Å; F340-L343 PolarHBondContact O-N 2.95Å; L341-L343 VanDerWaalsContact C-N 3.33Å; L341-L343 PolarHBondContact O-N 3.49Å; L343-G345 VanDerWaalsContact C-N 3.34Å; L343-G345 PolarHBondContact O-N 2.87Å; L343-Y346 PolarHBondContact O-N 3.35Å; L343-I347 WeakPolarHBondContact O-CB 3.45Å; L343-I347 WeakPolarHBondContact O-CD1 3.29Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 3.14Å
344F93.7Very high92Very high129 Ų12943.5 Ų43.557%0.56623%0.231SC*.Hα-helixtrans-60.4-43.3177.4-76.8-58.1000112.3F340 L341 I347 Q348F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CB-CE2 4.36Å; F340-F344 WeakPolarHBondContact O-CD2 2.96Å; F340-F344 PolarHBondContact O-N 3.02Å; L341-F344 PolarHBondContact O-N 3.49Å; F344-I347 PolarHBondContact O-N 3.45Å; F344-Q348 WeakPolarHBondContact O-CB 3.29Å; F344-Q348 PolarHBondContact O-N 3.38Å
345G93.2Very high91.8Very high0 Ų040.6 Ų40.60%022%0.216CC..Hα-helixtrans-62.5-44.8177.400000112.4L341 L342 L343 Q348 I349L341-G345 PolarHBondContact O-N 3Å; L342-G345 PolarHBondContact O-N 3.21Å; L343-G345 VanDerWaalsContact C-N 3.34Å; L343-G345 PolarHBondContact O-N 2.87Å; G345-Q348 WeakPolarHBondContact O-CB 3.39Å; G345-Q348 PolarHBondContact O-N 3.19Å; G345-I349 WeakPolarHBondContact O-CG1 3.39Å; G345-I349 PolarHBondContact O-N 3.3Å; G345-I349 VanDerWaalsContact O-N 3.08Å
346Y93.1Very high91.7Very high4 Ų440.4 Ų40.42%0.01621%0.214CC..Hα-helixtrans-66.7-42.3176-83.8-61.4000112.9V29 I71 F74 L114 V118 L342 L343 Q348 I349 I350V29-Y346 HydrophobicContact CG1-CE2 4.12Å; V29-Y346 HydrophobicContact CG2-CD1 4.49Å; V29-Y346 HydrophobicContact CG2-CD2 4.24Å; V29-Y346 HydrophobicContact CG2-CE2 4.41Å; V29-Y346 HydrophobicContact CG2-CG 4.28Å; I71-Y346 HydrophobicContact CG2-CE2 4.39Å; I71-Y346 PolarHBondContact O-OH 2.95Å; F74-Y346 AromaticContact CD1-CE1 3.91Å; F74-Y346 HydrophobicContact CD1-CE1 3.91Å; F74-Y346 HydrophobicContact CE1-CE1 4Å; L114-Y346 HydrophobicContact CD2-CD1 3.75Å; L114-Y346 HydrophobicContact CD2-CE1 4.05Å; V118-Y346 VanDerWaalsContact CG2-CB 3.46Å; V118-Y346 HydrophobicContact CG2-CD1 4.44Å; V118-Y346 HydrophobicContact CG2-CD2 4.14Å; V118-Y346 HydrophobicContact CG2-CG 3.79Å; L342-Y346 VanDerWaalsContact O-CD2 3.25Å; L342-Y346 WeakPolarHBondContact O-CD2 3.5Å; L342-Y346 PolarHBondContact O-N 2.82Å; L343-Y346 PolarHBondContact O-N 3.35Å; Y346-Q348 VanDerWaalsContact C-N 3.27Å; Y346-Q348 PolarHBondContact O-N 2.77Å; Y346-I349 PolarHBondContact O-N 3.5Å; Y346-I350 VanDerWaalsContact O-CG1 3.28Å; Y346-I350 WeakPolarHBondContact O-CG1 3.17Å; Y346-I350 PolarHBondContact O-N 3.05Å
347I92.8Very high91.6Very high83 Ų8339.3 Ų39.343%0.42620%0.202SC..Hα-helixtrans-58.7-43.1175.1-70.1165.5000110L343 F344 I349 I350 I351L343-I347 WeakPolarHBondContact O-CB 3.45Å; L343-I347 WeakPolarHBondContact O-CD1 3.29Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 3.14Å; F344-I347 PolarHBondContact O-N 3.45Å; I347-I349 PolarHBondContact O-N 3.06Å; I347-I350 WeakPolarHBondContact O-CB 3.34Å; I347-I350 PolarHBondContact O-N 3.29Å; I347-I351 HydrophobicContact CG2-CD1 3.85Å; I347-I351 HydrophobicContact CG2-CG1 4.42Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.3Å; I347-I351 PolarHBondContact O-N 2.87Å
348Q92.2Very high91.2Very high56 Ų5638.9 Ų38.926%0.26220%0.199SC..Hα-helixtrans-59.8-44.1176.1-174.564.620.100112F344 G345 Y346 I351 C352F344-Q348 WeakPolarHBondContact O-CB 3.29Å; F344-Q348 PolarHBondContact O-N 3.38Å; G345-Q348 WeakPolarHBondContact O-CB 3.39Å; G345-Q348 PolarHBondContact O-N 3.19Å; Y346-Q348 VanDerWaalsContact C-N 3.27Å; Y346-Q348 PolarHBondContact O-N 2.77Å; Q348-I351 PolarHBondContact O-N 3.15Å; Q348-C352 PolarHBondContact O-N 3.05Å; Q348-C352 PolarHBondContact O-SG 3.02Å
349I92.3Very high90.7Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-65.1-39.9176.7-64.6167.7000111V29 A78 L114 G345 Y346 I347 C352 T353V29-I349 HydrophobicContact CG2-CD1 4.22Å; A78-I349 HydrophobicContact CB-CG2 4.2Å; L114-I349 HydrophobicContact CD1-CG2 3.84Å; L114-I349 HydrophobicContact CD2-CG2 4.1Å; G345-I349 WeakPolarHBondContact O-CG1 3.39Å; G345-I349 PolarHBondContact O-N 3.3Å; G345-I349 VanDerWaalsContact O-N 3.08Å; Y346-I349 PolarHBondContact O-N 3.5Å; I347-I349 PolarHBondContact O-N 3.06Å; I349-C352 PolarHBondContact O-N 3.35Å; I349-T353 WeakPolarHBondContact O-CB 3.12Å; I349-T353 PolarHBondContact O-N 3.1Å; I349-T353 PolarHBondContact O-OG1 3.1Å
350I92.8Very high90.2Very high35 Ų3541.5 Ų41.518%0.17921%0.208CC..Hα-helixtrans-60.7-47.6175.7-69.8165.3000110.3L114 V115 V118 Y346 I347 C352 T353 A354L114-I350 HydrophobicContact CB-CD1 4.07Å; L114-I350 HydrophobicContact CB-CG1 3.63Å; L114-I350 HydrophobicContact CD1-CG1 3.92Å; L114-I350 HydrophobicContact CG-CG1 4.3Å; V115-I350 HydrophobicContact CG2-CD1 4.25Å; V118-I350 HydrophobicContact CG2-CD1 4.38Å; Y346-I350 VanDerWaalsContact O-CG1 3.28Å; Y346-I350 WeakPolarHBondContact O-CG1 3.17Å; Y346-I350 PolarHBondContact O-N 3.05Å; I347-I350 WeakPolarHBondContact O-CB 3.34Å; I347-I350 PolarHBondContact O-N 3.29Å; I350-C352 PolarHBondContact O-N 2.93Å; I350-T353 PolarHBondContact O-N 3.46Å; I350-A354 WeakPolarHBondContact O-CB 3.18Å; I350-A354 PolarHBondContact O-N 3.29Å
351I91.7Very high89.6Confident73 Ų7339.6 Ų39.637%0.37420%0.201SC..Hα-helixtrans-59-47.8177.6-67.6166.1000110.3I347 Q348 T353 A354 M355I347-I351 HydrophobicContact CG2-CD1 3.85Å; I347-I351 HydrophobicContact CG2-CG1 4.42Å; I347-I351 VanDerWaalsContact O-CG1 3.31Å; I347-I351 WeakPolarHBondContact O-CG1 3.3Å; I347-I351 PolarHBondContact O-N 2.87Å; Q348-I351 PolarHBondContact O-N 3.15Å; I351-T353 VanDerWaalsContact C-N 3.32Å; I351-T353 PolarHBondContact O-N 2.99Å; I351-A354 PolarHBondContact O-N 2.66Å; I351-M355 HydrophobicContact CG2-SD 4.09Å; I351-M355 VanDerWaalsContact O-CG 3.29Å; I351-M355 WeakPolarHBondContact O-CG 3.48Å; I351-M355 PolarHBondContact O-N 2.99Å
352C90.7Very high88.8Confident2 Ų239.6 Ų39.61%0.01420%0.199CC..Hα-helixtrans-59.8-43.3178-64.30000111.8Q348 I349 I350 M355 N356Q348-C352 PolarHBondContact O-N 3.05Å; Q348-C352 PolarHBondContact O-SG 3.02Å; I349-C352 PolarHBondContact O-N 3.35Å; I350-C352 PolarHBondContact O-N 2.93Å; C352-M355 PolarHBondContact O-N 3.4Å; C352-N356 WeakPolarHBondContact O-CB 3.49Å; C352-N356 VanDerWaalsContact O-CG 3.28Å; C352-N356 PolarHBondContact O-N 3.36Å; C352-N356 PolarHBondContact O-ND2 3.42Å
353T90.8Very high87.8Confident0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-66.5-41.5179.3-53.10000111.5N107 L110 I111 I349 I350 I351 N356 Y357N107-T353 HydrophobicContact CB-CG2 4.06Å; L110-T353 HydrophobicContact CB-CG2 4.29Å; L110-T353 HydrophobicContact CD2-CG2 3.8Å; L110-T353 HydrophobicContact CG-CG2 4.17Å; I111-T353 HydrophobicContact CD1-CG2 4.15Å; I111-T353 HydrophobicContact CG1-CG2 3.66Å; I349-T353 WeakPolarHBondContact O-CB 3.12Å; I349-T353 PolarHBondContact O-N 3.1Å; I349-T353 PolarHBondContact O-OG1 3.1Å; I350-T353 PolarHBondContact O-N 3.46Å; I351-T353 VanDerWaalsContact C-N 3.32Å; I351-T353 PolarHBondContact O-N 2.99Å; T353-N356 PolarHBondContact O-N 3.43Å; T353-Y357 WeakPolarHBondContact O-CB 3.25Å; T353-Y357 PolarHBondContact O-N 2.97Å
354A91Very high86.5Confident42 Ų4245.4 Ų45.435%0.34723%0.226SC..Hα-helixtrans-63.3-41176.300000111.8I111 I350 I351 Y357 A358I111-A354 HydrophobicContact CD1-CB 4.28Å; I350-A354 WeakPolarHBondContact O-CB 3.18Å; I350-A354 PolarHBondContact O-N 3.29Å; I351-A354 PolarHBondContact O-N 2.66Å; A354-Y357 WeakPolarHBondContact O-CB 3.43Å; A354-Y357 PolarHBondContact O-N 3.47Å; A354-A358 PolarHBondContact O-N 3.41Å
355M87.9Confident84.8Confident31 Ų3146.5 Ų46.515%0.15323%0.227CC..Hα-helixtrans-65.8-41.4175.2-70.2-177.364.700112.3V12 L15 R16 I351 C352 Y357 A358 R359V12-M355 HydrophobicContact CB-CE 4.24Å; V12-M355 HydrophobicContact CG1-CE 3.51Å; V12-M355 WeakPolarHBondContact O-CE 3.5Å; L15-M355 HydrophobicContact CB-CE 3.52Å; L15-M355 HydrophobicContact CB-SD 3.57Å; L15-M355 VanDerWaalsContact CB-SD 3.57Å; L15-M355 HydrophobicContact CD1-CE 4.18Å; L15-M355 HydrophobicContact CD1-SD 3.6Å; L15-M355 HydrophobicContact CG-CE 4.47Å; L15-M355 HydrophobicContact CG-SD 4.23Å; R16-M355 HydrophobicContact CB-CE 4.02Å; I351-M355 HydrophobicContact CG2-SD 4.09Å; I351-M355 VanDerWaalsContact O-CG 3.29Å; I351-M355 WeakPolarHBondContact O-CG 3.48Å; I351-M355 PolarHBondContact O-N 2.99Å; C352-M355 PolarHBondContact O-N 3.4Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 PolarHBondContact O-N 3.43Å; M355-A358 PolarHBondContact O-N 3.1Å; M355-R359 PolarHBondContact O-N 3.49Å
356N86.5Confident83.1Confident3 Ų352.9 Ų52.92%0.01625%0.252CS..Hα-helixtrans-64.6-36.6174.5-74.8-20000112C82 S85 C352 T353 M360C82-N356 PolarHBondContact O-ND2 3.35Å; C82-N356 PolarHBondContact SG-ND2 3.13Å; C82-N356 VanDerWaalsContact SG-ND2 3.37Å; S85-N356 WeakPolarHBondContact OG-CB 3.45Å; C352-N356 WeakPolarHBondContact O-CB 3.49Å; C352-N356 VanDerWaalsContact O-CG 3.28Å; C352-N356 PolarHBondContact O-N 3.36Å; C352-N356 PolarHBondContact O-ND2 3.42Å; T353-N356 PolarHBondContact O-N 3.43Å; N356-M360 PolarHBondContact O-N 2.86Å
357Y87.2Confident81.3Confident44 Ų4456.2 Ų56.217%0.17327%0.268CS..Hα-helixtrans-63-50172.2175.6-93.3000111.9R104 N107 M108 T353 A354 M355 R359 M360 Q361R104-Y357 HydrophobicContact CB-CD2 4.25Å; R104-Y357 HydrophobicContact CB-CE2 3.87Å; R104-Y357 HydrophobicContact CG-CD2 4.35Å; R104-Y357 HydrophobicContact CG-CE2 4.12Å; N107-Y357 HydrophobicContact CB-CD2 4.19Å; N107-Y357 PolarHBondContact ND2-N 2.87Å; M108-Y357 HydrophobicContact CE-CD1 4.04Å; M108-Y357 HydrophobicContact CE-CD2 4.33Å; M108-Y357 HydrophobicContact CE-CE1 3.41Å; M108-Y357 VanDerWaalsContact CE-CE1 3.41Å; M108-Y357 HydrophobicContact CE-CE2 3.74Å; M108-Y357 HydrophobicContact CE-CG 4.46Å; M108-Y357 WeakPolarHBondContact CE-OH 3.12Å; M108-Y357 HydrophobicContact CG-CD2 3.78Å; M108-Y357 HydrophobicContact CG-CE2 3.35Å; M108-Y357 HydrophobicContact SD-CE2 4.27Å; T353-Y357 WeakPolarHBondContact O-CB 3.25Å; T353-Y357 PolarHBondContact O-N 2.97Å; A354-Y357 WeakPolarHBondContact O-CB 3.43Å; A354-Y357 PolarHBondContact O-N 3.47Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 PolarHBondContact O-N 3.43Å; Y357-R359 VanDerWaalsContact C-N 3.27Å; Y357-R359 PolarHBondContact O-N 2.98Å; Y357-M360 PolarHBondContact O-N 3.14Å; Y357-M360 VanDerWaalsContact O-N 3.13Å; Y357-Q361 PolarHBondContact O-N 3.4Å
358A85.7Confident79.3Confident37 Ų3755.8 Ų55.831%0.30627%0.269SS..Hα-helixtrans-57.6-41.3178.300000111.7A354 M355 M360 Q361 E362A354-A358 PolarHBondContact O-N 3.41Å; M355-A358 PolarHBondContact O-N 3.1Å; A358-M360 PolarHBondContact O-N 2.86Å; A358-Q361 WeakPolarHBondContact O-CB 3.46Å; A358-Q361 PolarHBondContact O-N 2.67Å; A358-Q361 VanDerWaalsContact O-N 3.12Å; A358-E362 PolarHBondContact O-N 3.43Å
359R81.4Confident77.4Confident70 Ų7055.6 Ų55.626%0.26427%0.274SS..Hα-helixtrans-55.9-49.4173.5176176-179.21481.5113.5R16 M355 Y357 Q361 E362 A363R16-R359 HydrophobicContact CG-CB 4.11Å; R16-R359 HydrophobicContact CG-CG 4.35Å; R16-R359 VanDerWaalsContact CZ-CA 3.43Å; R16-R359 VanDerWaalsContact NE-CB 3.33Å; R16-R359 PolarHBondContact O-NH1 2.86Å; M355-R359 PolarHBondContact O-N 3.49Å; Y357-R359 VanDerWaalsContact C-N 3.27Å; Y357-R359 PolarHBondContact O-N 2.98Å; R359-Q361 PolarHBondContact O-N 3.06Å; R359-E362 PolarHBondContact O-N 3.5Å; R359-A363 PolarHBondContact O-N 3.01Å; R359-A363 VanDerWaalsContact O-N 3.1Å
360M80Confident75.1Confident14 Ų1459.5 Ų59.57%0.06930%0.295CS..Hα-helixtrans-69.2-24.3179.7-73.6-169.8-7300112.2S85 F94 G103 R104 N107 N356 Y357 A358S85-M360 WeakPolarHBondContact OG-CE 3.4Å; F94-M360 HydrophobicContact CD2-SD 4.09Å; F94-M360 HydrophobicContact CE2-SD 4.45Å; F94-M360 HydrophobicContact CG-SD 4.48Å; G103-M360 VanDerWaalsContact C-CE 3.42Å; G103-M360 WeakPolarHBondContact O-CE 3.38Å; R104-M360 HydrophobicContact CG-CB 3.65Å; R104-M360 HydrophobicContact CG-CE 4.47Å; N107-M360 HydrophobicContact CB-CE 4.32Å; N107-M360 WeakPolarHBondContact ND2-CE 3.38Å; N356-M360 PolarHBondContact O-N 2.86Å; Y357-M360 PolarHBondContact O-N 3.14Å; Y357-M360 VanDerWaalsContact O-N 3.13Å; A358-M360 PolarHBondContact O-N 2.86Å
361Q81Confident73Confident74 Ų7463.7 Ų63.735%0.34632%0.316SS..Hα-helixtrans-70.7-41.9172-171.9174.4-3.700111.6Y357 A358 R359 R364 Y365Y357-Q361 PolarHBondContact O-N 3.4Å; A358-Q361 WeakPolarHBondContact O-CB 3.46Å; A358-Q361 PolarHBondContact O-N 2.67Å; A358-Q361 VanDerWaalsContact O-N 3.12Å; R359-Q361 PolarHBondContact O-N 3.06Å; Q361-R364 PolarHBondContact O-N 3.2Å; Q361-Y365 HydrophobicContact CG-CE2 4.35Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.44Å
362E76.7Confident70.8Confident72 Ų7262.3 Ų62.334%0.33632%0.32SS..Hα-helixtrans-64.1-42.6175.7-74.5168.5-142.200112.9R16 A358 R359 R364 Y365 Y366R16-E362 IonicContact CZ-OE1 3.84Å; R16-E362 IonicContact CZ-OE2 3.26Å; R16-E362 VanDerWaalsContact CZ-OE2 3.26Å; R16-E362 IonicContact NH1-OE1 2.86Å; R16-E362 PolarHBondContact NH1-OE1 3.35Å; R16-E362 IonicContact NH1-OE2 2.99Å; R16-E362 PolarHBondContact NH1-OE2 2.84Å; R16-E362 IonicContact NH2-OE1 3.89Å; R16-E362 IonicContact NH2-OE2 2.66Å; R16-E362 PolarHBondContact NH2-OE2 3.22Å; A358-E362 PolarHBondContact O-N 3.43Å; R359-E362 PolarHBondContact O-N 3.5Å; E362-R364 PolarHBondContact O-N 3.42Å; E362-R364 VanDerWaalsContact O-N 3.1Å; E362-Y365 PolarHBondContact O-N 3.12Å; E362-Y366 VanDerWaalsContact O-CD2 3.25Å; E362-Y366 WeakPolarHBondContact O-CD2 3.4Å
363A70Confident68.5Low43 Ų4369.4 Ų69.436%0.35535%0.353SS..Hα-helixtrans-54.8-32.8179.500000113.1R359 Y366 E367R359-A363 PolarHBondContact O-N 3.01Å; R359-A363 VanDerWaalsContact O-N 3.1Å; A363-Y366 PolarHBondContact O-N 3.37Å; A363-E367 PolarHBondContact O-N 2.77Å
364R65.6Low66.2Low142 Ų14275.9 Ų75.954%0.53638%0.383SS..Hα-helixtrans-63.4-42.8175.6-172.7-172.9-175.7-167.22.1112.4Q361 E362 Y366 E367 T368Q361-R364 PolarHBondContact O-N 3.2Å; E362-R364 PolarHBondContact O-N 3.42Å; E362-R364 VanDerWaalsContact O-N 3.1Å; R364-Y366 PolarHBondContact O-N 3.04Å; R364-E367 PolarHBondContact O-N 3.38Å; R364-T368 HydrophobicContact CG-CG2 4.3Å; R364-T368 WeakPolarHBondContact O-CB 3.27Å; R364-T368 WeakPolarHBondContact O-CG2 3.33Å; R364-T368 PolarHBondContact O-N 3.36Å; R364-T368 PolarHBondContact O-OG1 3.1Å
365Y58.5Low63.5Low151 Ų15176.2 Ų76.259%0.59239%0.391SS*.Hα-helixtrans-62.3-36.1-177.4-72.1-71.8000111Q361 E362 T368 S369Q361-Y365 HydrophobicContact CG-CE2 4.35Å; Q361-Y365 WeakPolarHBondContact O-CD2 3.44Å; E362-Y365 PolarHBondContact O-N 3.12Å; Y365-T368 PolarHBondContact O-OG1 3.09Å; Y365-T368 VanDerWaalsContact O-OG1 3.1Å; Y365-S369 PolarHBondContact O-N 3.01Å; Y365-S369 VanDerWaalsContact O-N 3.09Å; Y365-S369 PolarHBondContact O-OG 3.46Å
366Y58.3Low61.3Low134 Ų13479.2 Ų79.253%0.52541%0.41SS..Hα-helixtrans-77.4-41.5177-61.8-70.3000113.2E362 A363 R364 T368 S369 D370E362-Y366 VanDerWaalsContact O-CD2 3.25Å; E362-Y366 WeakPolarHBondContact O-CD2 3.4Å; A363-Y366 PolarHBondContact O-N 3.37Å; R364-Y366 PolarHBondContact O-N 3.04Å; Y366-T368 VanDerWaalsContact C-N 3.3Å; Y366-T368 PolarHBondContact O-N 2.87Å; Y366-S369 WeakPolarHBondContact CA-OG 3.44Å; Y366-S369 PolarHBondContact O-N 2.98Å; Y366-S369 PolarHBondContact O-OG 3.4Å; Y366-D370 PolarHBondContact O-N 3.42Å
367E54.2Low59Low74 Ų7482.3 Ų82.335%0.34644%0.437SS..Hα-helixtrans-64-35174.1-76.1179-166.700112.3A363 R364 I371A363-E367 PolarHBondContact O-N 2.77Å; R364-E367 PolarHBondContact O-N 3.38Å; E367-I371 WeakPolarHBondContact O-CD1 3.2Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 3.41Å; E367-I371 VanDerWaalsContact O-N 3.12Å
368T51.6Low56.7Low74 Ų7487.7 Ų87.745%0.45447%0.468SS..Hα-helixtrans-75.1-28.2174.952.70000113.3R364 Y365 Y366 G372R364-T368 HydrophobicContact CG-CG2 4.3Å; R364-T368 WeakPolarHBondContact O-CB 3.27Å; R364-T368 WeakPolarHBondContact O-CG2 3.33Å; R364-T368 PolarHBondContact O-N 3.36Å; R364-T368 PolarHBondContact O-OG1 3.1Å; Y365-T368 PolarHBondContact O-OG1 3.09Å; Y365-T368 VanDerWaalsContact O-OG1 3.1Å; Y366-T368 VanDerWaalsContact C-N 3.3Å; Y366-T368 PolarHBondContact O-N 2.87Å; T368-G372 PolarHBondContact O-N 3.41Å
369S50.8Low54.3Low52 Ų5294.4 Ų94.436%0.36449%0.493SS..Hα-helixtrans-69.2-38.2172.2590000110.9Y365 Y366 I371 G372 E373Y365-S369 PolarHBondContact O-N 3.01Å; Y365-S369 VanDerWaalsContact O-N 3.09Å; Y365-S369 PolarHBondContact O-OG 3.46Å; Y366-S369 WeakPolarHBondContact CA-OG 3.44Å; Y366-S369 PolarHBondContact O-N 2.98Å; Y366-S369 PolarHBondContact O-OG 3.4Å; S369-I371 PolarHBondContact O-N 2.96Å; S369-G372 CarbonylContact O-C 3.54Å; S369-G372 WeakPolarHBondContact O-CA 3.46Å; S369-G372 PolarHBondContact O-N 3.34Å; S369-G372 VanDerWaalsContact O-N 3.1Å; S369-E373 PolarHBondContact O-N 3.28Å
370D45.6Very low52.2Low83 Ų83102.2 Ų102.244%0.44453%0.532SS..Hα-helixtrans-66.8-38.7176.5-65.7-10.6000110.9Y366 G372 E373 E374Y366-D370 PolarHBondContact O-N 3.42Å; D370-G372 VanDerWaalsContact C-N 3.28Å; D370-G372 PolarHBondContact O-N 2.75Å; D370-E373 PolarHBondContact O-N 3.39Å; D370-E374 WeakPolarHBondContact O-CA 3.34Å; D370-E374 WeakPolarHBondContact O-CB 3.15Å; D370-E374 WeakPolarHBondContact O-CG 3.46Å; D370-E374 PolarHBondContact O-N 2.6Å
371I48.3Very low50.9Low123 Ų123106.7 Ų106.763%0.63156%0.556SS**Hα-helixtrans-68.9-28.5172.8-64.3160.8000111.9E367 S369 G375E367-I371 WeakPolarHBondContact O-CD1 3.2Å; E367-I371 WeakPolarHBondContact O-CG1 3.34Å; E367-I371 PolarHBondContact O-N 3.41Å; E367-I371 VanDerWaalsContact O-N 3.12Å; S369-I371 PolarHBondContact O-N 2.96Å; I371-G375 WeakPolarHBondContact O-CA 3.37Å; I371-G375 PolarHBondContact O-N 3.26Å
372G45.1Very low49.3Very low44 Ų44108.4 Ų108.445%0.45457%0.567SS.*Hα-helixtrans-75.3-30.1175.700000114T368 S369 D370 V376T368-G372 PolarHBondContact O-N 3.41Å; S369-G372 CarbonylContact O-C 3.54Å; S369-G372 WeakPolarHBondContact O-CA 3.46Å; S369-G372 PolarHBondContact O-N 3.34Å; S369-G372 VanDerWaalsContact O-N 3.1Å; D370-G372 VanDerWaalsContact C-N 3.28Å; D370-G372 PolarHBondContact O-N 2.75Å; G372-V376 WeakPolarHBondContact O-CG2 3.49Å
373E42.4Very low47.8Very low150 Ų150110.4 Ų110.470%0.70158%0.579SS**Hα-helixtrans-95.6-39.6177-74.3-169.7158.600112.5S369 D370 V376 A377S369-E373 PolarHBondContact O-N 3.28Å; D370-E373 PolarHBondContact O-N 3.39Å; E373-V376 PolarHBondContact O-N 3.03Å; E373-A377 WeakPolarHBondContact O-CB 3.4Å; E373-A377 PolarHBondContact O-N 2.9Å
374E41.5Very low46.4Very low137 Ų137114.4 Ų114.464%0.6459%0.593SS**Hα-helixtrans-74.6-26.4175.2-63.6-173.1162.900112.5D370 V376D370-E374 WeakPolarHBondContact O-CA 3.34Å; D370-E374 WeakPolarHBondContact O-CB 3.15Å; D370-E374 WeakPolarHBondContact O-CG 3.46Å; D370-E374 PolarHBondContact O-N 2.6Å; E374-V376 PolarHBondContact O-N 3.3Å
375G34.9Very low45.3Very low49 Ų49112.6 Ų112.651%0.50560%0.596SS.*Hα-helixtrans-69.5-20.4170.900000113.6I371I371-G375 WeakPolarHBondContact O-CA 3.37Å; I371-G375 PolarHBondContact O-N 3.26Å
376V42Very low44.4Very low93 Ų93110.1 Ų110.156%0.56460%0.596SS**Hα-helixtrans-99.3-26.5177-174.60000111.1G372 E373 E374 L378G372-V376 WeakPolarHBondContact O-CG2 3.49Å; E373-V376 PolarHBondContact O-N 3.03Å; E374-V376 PolarHBondContact O-N 3.3Å; V376-L378 VanDerWaalsContact C-N 3.33Å; V376-L378 PolarHBondContact O-N 3.41Å
377A37.7Very low43.4Very low69 Ų69108.4 Ų108.457%0.5760%0.601SS**Hα-helixtrans-78.4-6.5179.100000115.3E373E373-A377 WeakPolarHBondContact O-CB 3.4Å; E373-A377 PolarHBondContact O-N 2.9Å
378L39.7Very low42.5Very low157 Ų157111 Ų11182%0.82262%0.621SS**THydrogen-bonded Turntrans-106.410.1174-73.9175.4000114.5V376V376-L378 VanDerWaalsContact C-N 3.33Å; V376-L378 PolarHBondContact O-N 3.41Å
379Q36.2Very low41.8Very low178 Ų178114.1 Ų114.183%0.83264%0.635SS**  trans-128.118.8174.3-90.9-171.6-18.500115.5
380Q37.3Very low41Very low234 Ų234119.7 Ų119.7100%1.09366%0.66SS**  trans-122.40160.3-74.5-175.7-17.800109.3

Retrieved 380 of 380 residues in 629.8 ms (Link to these results)