A0A077YZM4_TRITR Loading...

Guanine nucleotide binding protein G(I) subunit

AlphaFold DB , UniProt , Accession A0A077YZM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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
1M41.2Very low41.5Very low227 Ų227152.7 Ų152.7100%1.11882%0.821SS**  0112.80-162.6177.4-75.100106.4
2W36.8Very low42.3Very low237 Ų237145.8 Ų145.890%0.89881%0.812SS**  trans-75132.7-176.6-76.355.8000110.1
3F40.5Very low43.2Very low173 Ų173137.8 Ų137.876%0.75977%0.772SS**  trans-14489.8152.3-87.7-76.1000108.2F5F3-F5 HydrophobicContact CB-CD2 4.4Å; F3-F5 HydrophobicContact CB-CE2 4.32Å; F3-F5 HydrophobicContact CD1-CE2 4.05Å; F3-F5 HydrophobicContact CG-CE2 4.46Å
4S43.3Very low44.6Very low96 Ų96135.6 Ų135.667%0.67177%0.771SS**  trans-85.2107.4161.2179.40000106.7Q6S4-Q6 PolarHBondContact O-N 3.23Å
5F42.4Very low46.2Very low166 Ų166132.3 Ų132.373%0.72875%0.754SS**  trans-82.788.1169-88.6-89.2000108.4F3F3-F5 HydrophobicContact CB-CD2 4.4Å; F3-F5 HydrophobicContact CB-CE2 4.32Å; F3-F5 HydrophobicContact CD1-CE2 4.05Å; F3-F5 HydrophobicContact CG-CE2 4.46Å
6Q37.1Very low48.1Very low182 Ų182130.4 Ų130.485%0.8574%0.742SS**  trans-90.2105.5150.3-87.5-178.3-2200107S4S4-Q6 PolarHBondContact O-N 3.23Å
7T39.6Very low49.9Very low116 Ų116134.5 Ų134.571%0.71274%0.742SS**  trans-136.5116.1166.111.10000110.6
8A40.7Very low51.8Low91 Ų91129.6 Ų129.675%0.75272%0.719SS**  trans6790151.800000117.5G10A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 3.11Å
9M43Very low53.5Low194 Ų194125.2 Ų125.296%0.95670%0.701SS**  trans-51.8103.9141.8-79-178.3-175.800107.7C11M9-C11 PolarHBondContact O-N 2.98Å; M9-C11 VanDerWaalsContact O-N 3.11Å
10G44.1Very low55.1Low71 Ų71126.9 Ų126.973%0.73270%0.697SS**  trans-58.7115.6171.500000108.7A8 G12A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 3.11Å; G10-G12 PolarHBondContact O-N 2.81Å
11C47.4Very low56.7Low127 Ų127125.4 Ų125.486%0.85869%0.686SS**  trans-5890157.5-90.70000107M9 S13M9-C11 PolarHBondContact O-N 2.98Å; M9-C11 VanDerWaalsContact O-N 3.11Å; C11-S13 VanDerWaalsContact C-N 3.27Å; C11-S13 PolarHBondContact O-N 2.78Å
12G51Low58.9Low69 Ų69121.5 Ų121.571%0.71166%0.659SS**  trans-54.698.7166.700000107G10G10-G12 PolarHBondContact O-N 2.81Å
13S55.1Low61.3Low42 Ų42113.1 Ų113.129%0.29464%0.637SS.*  trans-64.9141.9-168.462.70000108.4C11 T15 D16C11-S13 VanDerWaalsContact C-N 3.27Å; C11-S13 PolarHBondContact O-N 2.78Å; S13-T15 WeakPolarHBondContact CB-OG1 3.11Å; S13-T15 PolarHBondContact O-N 2.93Å; S13-T15 PolarHBondContact OG-OG1 2.68Å; S13-D16 PolarHBondContact O-N 2.67Å; S13-D16 PolarHBondContact OG-OD2 3.23Å
14S61.9Low63.7Low107 Ų107109.9 Ų109.975%0.74862%0.623SS**Hα-helixtrans-49.6-26174.146.90000112.6S18S14-S18 WeakPolarHBondContact O-CB 3.46Å; S14-S18 PolarHBondContact O-N 2.92Å
15T68.6Low66Low86 Ų86111.1 Ų111.153%0.52862%0.618SS.*Hα-helixtrans-59-43.8169.9280000114.1S13 S18 A19S13-T15 WeakPolarHBondContact CB-OG1 3.11Å; S13-T15 PolarHBondContact O-N 2.93Å; S13-T15 PolarHBondContact OG-OG1 2.68Å; T15-S18 PolarHBondContact O-N 3Å; T15-S18 PolarHBondContact O-OG 3.17Å; T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 2.83Å
16D76.6Confident68.2Low103 Ų103108 Ų10855%0.55161%0.608SS**Hα-helixtrans-66.6-42.1179.1-67.7-43.4000111.6S13 S18 A19 Y20S13-D16 PolarHBondContact O-N 2.67Å; S13-D16 PolarHBondContact OG-OD2 3.23Å; D16-S18 VanDerWaalsContact C-N 3.32Å; D16-S18 PolarHBondContact O-N 2.91Å; D16-A19 PolarHBondContact O-N 3.11Å; D16-Y20 WeakPolarHBondContact O-CB 3.44Å; D16-Y20 PolarHBondContact O-N 3.02Å
17R79.7Confident70.6Confident199 Ų199103.2 Ų103.275%0.75159%0.588SS**Hα-helixtrans-64.1-39.2175-167.1170.4-179.8154.1-0.9111.2M21R17-M21 WeakPolarHBondContact O-CB 3.36Å; R17-M21 WeakPolarHBondContact O-CG 3.43Å; R17-M21 PolarHBondContact O-N 2.9Å
18S83.7Confident73Confident46 Ų46101 Ų10132%0.32257%0.571SS.*Hα-helixtrans-66.5-35.2175.3830000113S14 T15 D16 R22S14-S18 WeakPolarHBondContact O-CB 3.46Å; S14-S18 PolarHBondContact O-N 2.92Å; T15-S18 PolarHBondContact O-N 3Å; T15-S18 PolarHBondContact O-OG 3.17Å; D16-S18 VanDerWaalsContact C-N 3.32Å; D16-S18 PolarHBondContact O-N 2.91Å; S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 3.26Å; S18-R22 VanDerWaalsContact O-N 3.11Å; S18-R22 PolarHBondContact O-NE 2.94Å; S18-R22 VanDerWaalsContact O-NE 3.17Å; S18-R22 PolarHBondContact OG-NH2 3.24Å
19A83.6Confident75.1Confident46 Ų46101.7 Ų101.738%0.3856%0.559SS.*Hα-helixtrans-72.5-44.1178.500000110.9T15 D16 M21 R22 S23T15-A19 WeakPolarHBondContact O-CB 3.47Å; T15-A19 PolarHBondContact O-N 2.83Å; D16-A19 PolarHBondContact O-N 3.11Å; A19-M21 PolarHBondContact O-N 3.24Å; A19-R22 PolarHBondContact O-N 3.01Å; A19-S23 PolarHBondContact O-N 3.45Å
20Y86.4Confident77.1Confident159 Ų15997.5 Ų97.562%0.62454%0.54SS*.Hα-helixtrans-59-45.2173.7179.1-98.2000112.1D16 R22 S23 K24D16-Y20 WeakPolarHBondContact O-CB 3.44Å; D16-Y20 PolarHBondContact O-N 3.02Å; Y20-R22 VanDerWaalsContact C-N 3.34Å; Y20-R22 PolarHBondContact O-N 2.96Å; Y20-S23 PolarHBondContact O-N 3.47Å; Y20-K24 WeakPolarHBondContact O-CB 3.29Å; Y20-K24 PolarHBondContact O-N 2.91Å
21M87.5Confident78.9Confident96 Ų96101.1 Ų101.147%0.47353%0.532SS..Hα-helixtrans-63.4-38.6177.1-70.2-65.9-68.400112.2R17 A19 Q25R17-M21 WeakPolarHBondContact O-CB 3.36Å; R17-M21 WeakPolarHBondContact O-CG 3.43Å; R17-M21 PolarHBondContact O-N 2.9Å; A19-M21 PolarHBondContact O-N 3.24Å; M21-Q25 WeakPolarHBondContact O-CB 3.18Å; M21-Q25 VanDerWaalsContact O-CG 3.25Å; M21-Q25 WeakPolarHBondContact O-CG 3.25Å; M21-Q25 PolarHBondContact O-N 3.45Å
22R87.3Confident80.5Confident145 Ų14597.2 Ų97.255%0.54751%0.509SS..Hα-helixtrans-65.8-44.6174.4-79.4-179.9-76.7169.3-5.8112.3S18 A19 Y20 Q25 I26S18-R22 WeakPolarHBondContact O-CG 3.44Å; S18-R22 PolarHBondContact O-N 3.26Å; S18-R22 VanDerWaalsContact O-N 3.11Å; S18-R22 PolarHBondContact O-NE 2.94Å; S18-R22 VanDerWaalsContact O-NE 3.17Å; S18-R22 PolarHBondContact OG-NH2 3.24Å; A19-R22 PolarHBondContact O-N 3.01Å; Y20-R22 VanDerWaalsContact C-N 3.34Å; Y20-R22 PolarHBondContact O-N 2.96Å; R22-Q25 PolarHBondContact O-N 2.9Å; R22-I26 VanDerWaalsContact O-CG1 3.29Å; R22-I26 WeakPolarHBondContact O-CG1 3.26Å; R22-I26 PolarHBondContact O-N 3.34Å
23S88.8Confident81.8Confident62 Ų6297.4 Ų97.443%0.43449%0.494SS..Hα-helixtrans-60.3-47.5177.1-167.90000111.1A19 Y20 Q25 I26 D27A19-S23 PolarHBondContact O-N 3.45Å; Y20-S23 PolarHBondContact O-N 3.47Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.33Å; S23-I26 WeakPolarHBondContact O-CB 3.47Å; S23-I26 PolarHBondContact O-N 2.89Å; S23-I26 VanDerWaalsContact O-N 3.12Å; S23-D27 PolarHBondContact O-N 3.12Å
24K91Very high82.9Confident104 Ų10497.4 Ų97.445%0.45250%0.5SS..Hα-helixtrans-60.9-41.1177.3-174.6177.9177.8-177.70112.2Y20 I26 D27 D28Y20-K24 WeakPolarHBondContact O-CB 3.29Å; Y20-K24 PolarHBondContact O-N 2.91Å; K24-I26 VanDerWaalsContact C-N 3.33Å; K24-I26 PolarHBondContact O-N 2.94Å; K24-D27 PolarHBondContact O-N 3.4Å; K24-D28 WeakPolarHBondContact O-CB 3.47Å; K24-D28 PolarHBondContact O-N 3.29Å
25Q90.3Very high83.6Confident123 Ų12397.5 Ų97.558%0.57549%0.489SS*.Hα-helixtrans-62.5-38.9174.5-77.9173.1-14.300112.3M21 R22 S23 Q29M21-Q25 WeakPolarHBondContact O-CB 3.18Å; M21-Q25 VanDerWaalsContact O-CG 3.25Å; M21-Q25 WeakPolarHBondContact O-CG 3.25Å; M21-Q25 PolarHBondContact O-N 3.45Å; R22-Q25 PolarHBondContact O-N 2.9Å; S23-Q25 VanDerWaalsContact C-N 3.32Å; S23-Q25 PolarHBondContact O-N 3.33Å; Q25-Q29 VanDerWaalsContact O-CB 3.24Å; Q25-Q29 WeakPolarHBondContact O-CB 3.39Å; Q25-Q29 PolarHBondContact O-N 3.49Å
26I88.3Confident84Confident101 Ų101101.2 Ų101.252%0.51849%0.493SS..Hα-helixtrans-65-46.5174.7-67.8163.5000110.2R22 S23 K24 D28 Q29 L30R22-I26 VanDerWaalsContact O-CG1 3.29Å; R22-I26 WeakPolarHBondContact O-CG1 3.26Å; R22-I26 PolarHBondContact O-N 3.34Å; S23-I26 WeakPolarHBondContact O-CB 3.47Å; S23-I26 PolarHBondContact O-N 2.89Å; S23-I26 VanDerWaalsContact O-N 3.12Å; K24-I26 VanDerWaalsContact C-N 3.33Å; K24-I26 PolarHBondContact O-N 2.94Å; I26-D28 PolarHBondContact O-N 2.82Å; I26-Q29 PolarHBondContact O-N 2.93Å; I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 HydrophobicContact CG2-CG 4.25Å; I26-L30 WeakPolarHBondContact O-CB 3.24Å; I26-L30 VanDerWaalsContact O-CG 3.26Å; I26-L30 WeakPolarHBondContact O-CG 3.42Å; I26-L30 PolarHBondContact O-N 3.47Å
27D89.1Confident83.8Confident81 Ų8199.4 Ų99.443%0.43349%0.492SS..Hα-helixtrans-63.3-41.8179.7-65.6-30.7000112.2S23 K24 L30 R31S23-D27 PolarHBondContact O-N 3.12Å; K24-D27 PolarHBondContact O-N 3.4Å; D27-L30 PolarHBondContact O-N 2.98Å; D27-R31 PolarHBondContact O-N 3Å
28D88.9Confident83.8Confident68 Ų6893.5 Ų93.536%0.36448%0.481SS..Hα-helixtrans-68.3-37.6176.7-72-26.9000111.2K24 I26 R31 A32K24-D28 WeakPolarHBondContact O-CB 3.47Å; K24-D28 PolarHBondContact O-N 3.29Å; I26-D28 PolarHBondContact O-N 2.82Å; D28-R31 PolarHBondContact O-N 3.47Å; D28-R31 IonicContact OD1-CZ 2.93Å; D28-R31 IonicContact OD1-NH1 3.95Å; D28-R31 PolarHBondContact OD1-NH1 3.26Å; D28-A32 WeakPolarHBondContact O-CB 3.33Å; D28-A32 PolarHBondContact O-N 2.9Å
29Q85.5Confident83.9Confident107 Ų10797.2 Ų97.250%0.549%0.488SS..Hα-helixtrans-66.1-43.8173.8-173.164.943.300111.6Q25 I26 R31 A32 D33Q25-Q29 VanDerWaalsContact O-CB 3.24Å; Q25-Q29 WeakPolarHBondContact O-CB 3.39Å; Q25-Q29 PolarHBondContact O-N 3.49Å; I26-Q29 PolarHBondContact O-N 2.93Å; Q29-R31 VanDerWaalsContact C-N 3.31Å; Q29-R31 PolarHBondContact O-N 2.86Å; Q29-A32 PolarHBondContact O-N 2.78Å; Q29-D33 PolarHBondContact NE2-OD1 3.42Å; Q29-D33 WeakPolarHBondContact O-CB 3.42Å; Q29-D33 PolarHBondContact O-N 3.24Å
30L84.3Confident84.3Confident106 Ų10698 Ų9856%0.55548%0.484SS*.Hα-helixtrans-62-38.9176.8-74171.8000111.7I26 D27 G34I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 HydrophobicContact CG2-CG 4.25Å; I26-L30 WeakPolarHBondContact O-CB 3.24Å; I26-L30 VanDerWaalsContact O-CG 3.26Å; I26-L30 WeakPolarHBondContact O-CG 3.42Å; I26-L30 PolarHBondContact O-N 3.47Å; D27-L30 PolarHBondContact O-N 2.98Å; L30-G34 PolarHBondContact O-N 3.46Å
31R81.6Confident84.7Confident146 Ų14690.5 Ų90.555%0.55146%0.455SS*.Hα-helixtrans-65-47.5174.2-168.9-175.5-59.4119.27.9111.1D27 D28 Q29 D33 G34 E35D27-R31 PolarHBondContact O-N 3Å; D28-R31 PolarHBondContact O-N 3.47Å; D28-R31 IonicContact OD1-CZ 2.93Å; D28-R31 IonicContact OD1-NH1 3.95Å; D28-R31 PolarHBondContact OD1-NH1 3.26Å; Q29-R31 VanDerWaalsContact C-N 3.31Å; Q29-R31 PolarHBondContact O-N 2.86Å; R31-D33 VanDerWaalsContact C-N 3.34Å; R31-D33 PolarHBondContact O-N 3.25Å; R31-G34 PolarHBondContact O-N 2.91Å; R31-E35 WeakPolarHBondContact O-CG 3.23Å; R31-E35 PolarHBondContact O-N 3.47Å
32A80.5Confident85.1Confident46 Ų4687.6 Ų87.638%0.3844%0.44SS..Hα-helixtrans-62.5-40177.700000112.3D28 Q29 E35 R36D28-A32 WeakPolarHBondContact O-CB 3.33Å; D28-A32 PolarHBondContact O-N 2.9Å; Q29-A32 PolarHBondContact O-N 2.78Å; A32-E35 PolarHBondContact O-N 3.42Å; A32-R36 WeakPolarHBondContact O-CB 3.46Å; A32-R36 PolarHBondContact O-N 2.9Å
33D79.7Confident85.5Confident73 Ų7380.7 Ų80.739%0.3941%0.414SS..Hα-helixtrans-66.6-39.4175.9-70.6-16.2000111Q29 R31 R36 A37Q29-D33 PolarHBondContact NE2-OD1 3.42Å; Q29-D33 WeakPolarHBondContact O-CB 3.42Å; Q29-D33 PolarHBondContact O-N 3.24Å; R31-D33 VanDerWaalsContact C-N 3.34Å; R31-D33 PolarHBondContact O-N 3.25Å; D33-R36 PolarHBondContact O-N 2.83Å; D33-A37 VanDerWaalsContact O-CB 3.23Å; D33-A37 WeakPolarHBondContact O-CB 3.36Å; D33-A37 PolarHBondContact O-N 3.38Å
34G77.3Confident86Confident41 Ų4177.8 Ų77.842%0.42339%0.393SS..Hα-helixtrans-64.5-42.5173.700000113.2L30 R31 R36 A37 S38L30-G34 PolarHBondContact O-N 3.46Å; R31-G34 PolarHBondContact O-N 2.91Å; G34-R36 VanDerWaalsContact C-N 3.35Å; G34-A37 PolarHBondContact O-N 3Å; G34-S38 PolarHBondContact O-N 3.44Å
35E76.7Confident86.3Confident109 Ų10972.8 Ų72.851%0.50937%0.371SS..Hα-helixtrans-66.2-35.8174.3-74.2177.5-16500112.4R31 A32 S38R31-E35 WeakPolarHBondContact O-CG 3.23Å; R31-E35 PolarHBondContact O-N 3.47Å; A32-E35 PolarHBondContact O-N 3.42Å; E35-S38 PolarHBondContact O-OG 3.42Å
36R76.4Confident86.7Confident165 Ų16567 Ų6762%0.62334%0.344SS*.Hα-helixtrans-69.9-44.4174.7-174.5179.5179.8-179.41.4111.3A32 D33 G34 S38 R39 E40A32-R36 WeakPolarHBondContact O-CB 3.46Å; A32-R36 PolarHBondContact O-N 2.9Å; D33-R36 PolarHBondContact O-N 2.83Å; G34-R36 VanDerWaalsContact C-N 3.35Å; R36-S38 VanDerWaalsContact C-N 3.29Å; R36-S38 PolarHBondContact O-N 2.78Å; R36-R39 PolarHBondContact O-N 3.19Å; R36-R39 VanDerWaalsContact O-N 3.15Å; R36-E40 PolarHBondContact O-N 3.15Å
37A74.1Confident87.2Confident65 Ų6562.1 Ų62.154%0.53732%0.319SS..Hα-helixtrans-62.6-35.8178.700000111.9D33 G34 R39 E40D33-A37 VanDerWaalsContact O-CB 3.23Å; D33-A37 WeakPolarHBondContact O-CB 3.36Å; D33-A37 PolarHBondContact O-N 3.38Å; G34-A37 PolarHBondContact O-N 3Å; A37-R39 PolarHBondContact O-N 3.29Å; A37-E40 PolarHBondContact O-N 2.91Å
38S77.8Confident87.5Confident74 Ų7458.7 Ų58.752%0.51730%0.302SS..Hα-helixtrans-68.9-18.5177.270.10000114G34 E35 R36G34-S38 PolarHBondContact O-N 3.44Å; E35-S38 PolarHBondContact O-OG 3.42Å; R36-S38 VanDerWaalsContact C-N 3.29Å; R36-S38 PolarHBondContact O-N 2.78Å
39R86.8Confident87.8Confident125 Ų12556 Ų5647%0.47229%0.29SS..THydrogen-bonded Turntrans-99.3-5.9174.8-61.4-177-169.5-164.32.7113.4R36 A37 L201 H202R36-R39 PolarHBondContact O-N 3.19Å; R36-R39 VanDerWaalsContact O-N 3.15Å; A37-R39 PolarHBondContact O-N 3.29Å; R39-L201 HydrophobicContact CB-CD2 4.47Å; R39-L201 WeakPolarHBondContact O-CA 3.06Å; R39-H202 PolarHBondContact O-N 2.77Å
40E92.2Very high88.3Confident63 Ų6353.3 Ų53.329%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-85.7128.7178.2-171.9169.7112.500110.2R36 A37 H202 K204R36-E40 PolarHBondContact O-N 3.15Å; A37-E40 PolarHBondContact O-N 2.91Å; E40-H202 WeakPolarHBondContact CA-O 3.38Å; E40-K204 HydrophobicContact CG-CD 4.36Å; E40-K204 HydrophobicContact CG-CG 4.4Å; E40-K204 WeakPolarHBondContact OE1-CE 3.42Å; E40-K204 IonicContact OE1-NZ 2.94Å; E40-K204 PolarHBondContact OE1-NZ 3.37Å; E40-K204 WeakPolarHBondContact OE2-CE 3.39Å; E40-K204 IonicContact OE2-NZ 3.39Å; E40-K204 PolarHBondContact OE2-NZ 2.75Å
41V94.3Very high88.9Confident0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-120.4114.4179178.30000109L43 L201 H202 F203 K204 T226 I351V41-L43 HydrophobicContact CG1-CD2 3.95Å; V41-L43 HydrophobicContact CG1-CG 4.09Å; V41-L201 HydrophobicContact CG2-CB 4.26Å; V41-L201 HydrophobicContact CG2-CD1 4.12Å; V41-L201 HydrophobicContact CG2-CD2 4.34Å; V41-L201 HydrophobicContact CG2-CG 4.48Å; V41-H202 PolarHBondContact N-O 2.72Å; V41-F203 HydrophobicContact CB-CD1 3.77Å; V41-F203 HydrophobicContact CB-CE1 3.86Å; V41-F203 HydrophobicContact CB-CG 4.39Å; V41-F203 HydrophobicContact CG1-CD1 3.69Å; V41-F203 HydrophobicContact CG1-CE1 3.57Å; V41-F203 HydrophobicContact CG2-CE1 4.34Å; V41-F203 CarbonylContact O-C 3.59Å; V41-F203 WeakPolarHBondContact O-CA 3.4Å; V41-K204 PolarHBondContact O-N 3.24Å; V41-T226 HydrophobicContact CG1-CG2 4.01Å; V41-I351 HydrophobicContact CG1-CD1 4.16Å; V41-I351 HydrophobicContact CG1-CG2 3.96Å; V41-I351 HydrophobicContact CG2-CG2 4.04Å
42K95.6Very high89.6Confident36 Ų3641.8 Ų41.816%0.15723%0.23CC..EExtended strand (participates in β ladder)trans-90.3109.3173.6-179.1168.9179.6-176.70110K204 F206 C221 E223 G224 V225 T226 A227K42-K204 WeakPolarHBondContact CA-O 3.29Å; K42-F206 HydrophobicContact CD-CD2 4.33Å; K42-F206 HydrophobicContact CD-CE2 3.91Å; K42-F206 HydrophobicContact CG-CD2 3.88Å; K42-F206 HydrophobicContact CG-CE2 3.72Å; K42-C221 VanDerWaalsContact CE-O 3.3Å; K42-C221 WeakPolarHBondContact CE-O 3.43Å; K42-C221 PolarHBondContact NZ-O 3.06Å; K42-E223 PolarHBondContact NZ-O 3.47Å; K42-G224 WeakPolarHBondContact CB-O 3.39Å; K42-G224 WeakPolarHBondContact CD-O 3.46Å; K42-V225 HydrophobicContact CD-CG2 4.34Å; K42-T226 PolarHBondContact N-OG1 3.21Å; K42-T226 WeakPolarHBondContact O-CB 3.27Å; K42-T226 PolarHBondContact O-N 3.24Å; K42-A227 PolarHBondContact O-N 3.37Å
43L97.2Very high90.5Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-98.3128.2174.3-66.9-176.9000110.7V41 F203 K204 M205 F206 A227 I229 F344 I351V41-L43 HydrophobicContact CG1-CD2 3.95Å; V41-L43 HydrophobicContact CG1-CG 4.09Å; L43-F203 HydrophobicContact CD1-CD1 3.47Å; L43-F203 VanDerWaalsContact CD1-CD1 3.47Å; L43-F203 HydrophobicContact CD1-CE1 3.8Å; L43-F203 HydrophobicContact CG-CD1 3.83Å; L43-F203 HydrophobicContact CG-CE1 4.23Å; L43-K204 PolarHBondContact N-O 3.17Å; L43-M205 HydrophobicContact CB-CB 4.45Å; L43-M205 HydrophobicContact CB-CG 4.43Å; L43-M205 HydrophobicContact CD1-CE 3.7Å; L43-M205 CarbonylContact O-C 3.5Å; L43-M205 WeakPolarHBondContact O-CA 3.44Å; L43-F206 PolarHBondContact O-N 2.87Å; L43-A227 WeakPolarHBondContact CA-O 3.43Å; L43-A227 HydrophobicContact CD2-CB 3.84Å; L43-I229 HydrophobicContact CD1-CD1 4.29Å; L43-F344 HydrophobicContact CD1-CE2 3.75Å; L43-F344 HydrophobicContact CD1-CZ 3.88Å; L43-I351 HydrophobicContact CD2-CD1 3.7Å
44L98Very high91.3Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-110.9117.1174.5-176.959.3000110.3L46 F206 V208 C221 F222 V225 A227 I228 I229 F266L44-L46 HydrophobicContact CD1-CD2 4.22Å; L44-L46 HydrophobicContact CD2-CD1 3.99Å; L44-L46 HydrophobicContact CD2-CD2 4.09Å; L44-L46 HydrophobicContact CD2-CG 4.13Å; L44-L46 HydrophobicContact CG-CD1 4.27Å; L44-L46 HydrophobicContact CG-CD2 3.91Å; L44-L46 HydrophobicContact CG-CG 3.89Å; L44-F206 HydrophobicContact CD1-CB 3.79Å; L44-V208 HydrophobicContact CD1-CG1 4.37Å; L44-C221 HydrophobicContact CD1-CB 3.66Å; L44-C221 HydrophobicContact CD2-CB 4.33Å; L44-F222 HydrophobicContact CD2-CD1 3.83Å; L44-F222 HydrophobicContact CD2-CE1 3.97Å; L44-V225 HydrophobicContact CB-CG1 3.83Å; L44-V225 HydrophobicContact CB-CG2 4.19Å; L44-V225 HydrophobicContact CD2-CG2 4.02Å; L44-A227 PolarHBondContact N-O 3.32Å; L44-I228 HydrophobicContact CB-CG1 4.39Å; L44-I228 WeakPolarHBondContact O-CA 3.45Å; L44-I229 PolarHBondContact O-N 3.34Å; L44-F266 HydrophobicContact CD2-CZ 4.13Å
45L98.3Very high92.3Very high0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-86.8116.7175.5-57-172.3000109.9K53 I56 V57 M205 F206 D207 V208 I229L45-K53 HydrophobicContact CB-CB 4.15Å; L45-K53 HydrophobicContact CB-CD 4.09Å; L45-K53 HydrophobicContact CB-CG 4.14Å; L45-K53 HydrophobicContact CD1-CB 4.19Å; L45-K53 WeakPolarHBondContact CD1-O 3.4Å; L45-K53 WeakPolarHBondContact O-CD 3.41Å; L45-I56 HydrophobicContact CD1-CB 4.47Å; L45-V57 HydrophobicContact CD1-CG2 3.51Å; L45-M205 HydrophobicContact CD1-CG 4.05Å; L45-M205 HydrophobicContact CD1-SD 3.81Å; L45-M205 HydrophobicContact CD2-CE 4.44Å; L45-M205 HydrophobicContact CD2-CG 4.34Å; L45-M205 HydrophobicContact CD2-SD 4.26Å; L45-M205 HydrophobicContact CG-CG 3.95Å; L45-M205 HydrophobicContact CG-SD 4.18Å; L45-F206 PolarHBondContact N-O 2.76Å; L45-D207 HydrophobicContact CD1-CB 4.31Å; L45-V208 WeakPolarHBondContact O-CG2 3Å; L45-I229 WeakPolarHBondContact CA-O 3.34Å; L45-I229 HydrophobicContact CD2-CB 3.66Å; L45-I229 HydrophobicContact CD2-CD1 3.9Å; L45-I229 HydrophobicContact CD2-CG1 4.24Å; L45-I229 HydrophobicContact CD2-CG2 4.13Å
46L98.2Very high93.3Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-122.7161.9179-62.6-180000111.6L44 V208 W218 I228 I229 F230 C231 I260 F266L44-L46 HydrophobicContact CD1-CD2 4.22Å; L44-L46 HydrophobicContact CD2-CD1 3.99Å; L44-L46 HydrophobicContact CD2-CD2 4.09Å; L44-L46 HydrophobicContact CD2-CG 4.13Å; L44-L46 HydrophobicContact CG-CD1 4.27Å; L44-L46 HydrophobicContact CG-CD2 3.91Å; L44-L46 HydrophobicContact CG-CG 3.89Å; L46-V208 HydrophobicContact CD2-CG2 3.7Å; L46-W218 HydrophobicContact CB-CH2 4.42Å; L46-W218 HydrophobicContact CB-CZ3 4.43Å; L46-W218 HydrophobicContact CD2-CD2 3.82Å; L46-W218 HydrophobicContact CD2-CE3 3.78Å; L46-W218 HydrophobicContact CD2-CG 4.29Å; L46-W218 HydrophobicContact CD2-CH2 4.25Å; L46-W218 HydrophobicContact CD2-CZ2 4.35Å; L46-W218 HydrophobicContact CD2-CZ3 4Å; L46-I228 HydrophobicContact CB-CG2 4.31Å; L46-I228 HydrophobicContact CD1-CD1 4.32Å; L46-I228 HydrophobicContact CD1-CG2 3.96Å; L46-I228 HydrophobicContact CG-CG2 4.23Å; L46-I229 PolarHBondContact N-O 2.72Å; L46-F230 HydrophobicContact CB-CD2 3.79Å; L46-F230 HydrophobicContact CB-CE2 4.28Å; L46-F230 CarbonylContact O-C 3.52Å; L46-F230 WeakPolarHBondContact O-CA 3.31Å; L46-C231 PolarHBondContact O-N 3.18Å; L46-I260 HydrophobicContact CD1-CD1 3.85Å; L46-I260 HydrophobicContact CD1-CG1 4.1Å; L46-I260 HydrophobicContact CD1-CG2 3.77Å; L46-F266 HydrophobicContact CD1-CE2 4.4Å
47G97.9Very high94.2Very high0 Ų024.9 Ų24.90%014%0.142CC..  trans137.7167-179.900000112.3K53 G210G47-K53 PolarHBondContact O-NZ 3.17Å; G47-G210 WeakPolarHBondContact O-CA 3.48Å
48A96.8Very high95.3Very high8 Ų822.9 Ų22.97%0.06612%0.122CC..SBendtrans-59.2167.2-178.500000112.5S51 K53 L256A48-S51 PolarHBondContact O-N 2.99Å; A48-S51 PolarHBondContact O-OG 2.93Å; A48-S51 VanDerWaalsContact O-OG 3.09Å; A48-K53 PolarHBondContact O-NZ 3.07Å; A48-L256 HydrophobicContact CB-CD2 4.35Å
49G94.6Very high96.3Very high12 Ų1219.4 Ų19.412%0.12410%0.097CC..THydrogen-bonded Turntrans-52.2145.8169.200000110.1S51 G210G49-S51 PolarHBondContact O-N 2.7Å; G49-G210 VanDerWaalsContact N-C 3.34Å; G49-G210 PolarHBondContact N-O 3.38Å
50E95.1Very high96.7Very high51 Ų5113.4 Ų13.424%0.2388%0.075CC..THydrogen-bonded Turntrans68.61.9172.5-37.3-162.9140.700116.1G52 R185 R249 K277E50-G52 PolarHBondContact O-N 3.25Å; E50-R185 IonicContact OE1-CZ 2.84Å; E50-R185 VanDerWaalsContact OE1-CZ 3.26Å; E50-R185 IonicContact OE1-NE 3.62Å; E50-R185 PolarHBondContact OE1-NE 3.02Å; E50-R185 IonicContact OE1-NH2 2.8Å; E50-R185 PolarHBondContact OE1-NH2 3.39Å; E50-R249 IonicContact OE2-CZ 3.67Å; E50-R249 IonicContact OE2-NH1 2.74Å; E50-R249 PolarHBondContact OE2-NH1 3.13Å; E50-R249 IonicContact OE2-NH2 2.65Å; E50-R249 PolarHBondContact OE2-NH2 3.11Å; E50-R249 VanDerWaalsContact OE2-NH2 3.07Å; E50-K277 WeakPolarHBondContact O-CE 3.3Å; E50-K277 PolarHBondContact O-NZ 3.02Å
51S97.6Very high96.8Very high1 Ų112.5 Ų12.51%0.0077%0.07CC..SBendtrans-67.7-8.3179.968.40000116.1A48 G49 K53 C231 N276A48-S51 PolarHBondContact O-N 2.99Å; A48-S51 PolarHBondContact O-OG 2.93Å; A48-S51 VanDerWaalsContact O-OG 3.09Å; G49-S51 PolarHBondContact O-N 2.7Å; S51-K53 PolarHBondContact OG-NZ 3.18Å; S51-C231 WeakPolarHBondContact CB-O 3.41Å; S51-C231 WeakPolarHBondContact OG-CB 3.43Å; S51-C231 PolarHBondContact OG-O 3.18Å; S51-C231 VanDerWaalsContact OG-O 3.1Å; S51-N276 PolarHBondContact O-ND2 3.44Å
52G97.2Very high96.9Very high9 Ų913.5 Ų13.59%0.0938%0.075CC..SBendtrans103.48175.800000116.3E50 S54 T55 I56E50-G52 PolarHBondContact O-N 3.25Å; G52-S54 PolarHBondContact O-N 3.31Å; G52-T55 WeakPolarHBondContact O-CB 3.44Å; G52-T55 PolarHBondContact O-N 3.12Å; G52-T55 VanDerWaalsContact O-N 3.12Å; G52-I56 PolarHBondContact O-N 2.92Å; G52-I56 VanDerWaalsContact O-N 3.08Å
53K97.7Very high96.8Very high9 Ų912.9 Ų12.94%0.0397%0.073CC..Hα-helixtrans-51.8-56.5177.9-62.7-178-64.2-65.70113.5L45 G47 A48 S51 T55 I56 V57 D207 V208 C231L45-K53 HydrophobicContact CB-CB 4.15Å; L45-K53 HydrophobicContact CB-CD 4.09Å; L45-K53 HydrophobicContact CB-CG 4.14Å; L45-K53 HydrophobicContact CD1-CB 4.19Å; L45-K53 WeakPolarHBondContact CD1-O 3.4Å; L45-K53 WeakPolarHBondContact O-CD 3.41Å; G47-K53 PolarHBondContact O-NZ 3.17Å; A48-K53 PolarHBondContact O-NZ 3.07Å; S51-K53 PolarHBondContact OG-NZ 3.18Å; K53-T55 PolarHBondContact O-N 3.44Å; K53-I56 WeakPolarHBondContact O-CA 3.35Å; K53-I56 WeakPolarHBondContact O-CB 3.43Å; K53-I56 PolarHBondContact O-N 3.31Å; K53-V57 PolarHBondContact O-N 2.85Å; K53-V57 VanDerWaalsContact O-N 3.12Å; K53-D207 VanDerWaalsContact CB-OD1 3.26Å; K53-D207 WeakPolarHBondContact CB-OD1 3.3Å; K53-V208 WeakPolarHBondContact CE-O 3.37Å; K53-C231 HydrophobicContact CG-CB 4.07Å
54S97.4Very high96.6Very high30 Ų3014.7 Ų14.721%0.218%0.081CC..Hα-helixtrans-64-25.9-179.5-470000112.5G52 V57 K58 T188 D207G52-S54 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 2.85Å; S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 2.87Å; S54-T188 PolarHBondContact OG-OG1 3Å; S54-D207 WeakPolarHBondContact CA-OD2 3.42Å; S54-D207 VanDerWaalsContact CB-OD2 3.29Å; S54-D207 WeakPolarHBondContact CB-OD2 3.2Å; S54-D207 PolarHBondContact OG-OD2 2.87Å
55T97.7Very high96.2Very high23 Ų2318.8 Ų18.814%0.14110%0.1CC..Hα-helixtrans-68.8-38.7172.4-53.20000111.1G52 K53 K58 Q59 L182 A334 T335G52-T55 WeakPolarHBondContact O-CB 3.44Å; G52-T55 PolarHBondContact O-N 3.12Å; G52-T55 VanDerWaalsContact O-N 3.12Å; K53-T55 PolarHBondContact O-N 3.44Å; T55-K58 WeakPolarHBondContact O-CB 3.48Å; T55-K58 PolarHBondContact O-N 2.84Å; T55-Q59 WeakPolarHBondContact O-CG 3.27Å; T55-Q59 PolarHBondContact O-N 3.35Å; T55-L182 HydrophobicContact CG2-CB 4.39Å; T55-L182 HydrophobicContact CG2-CD2 3.95Å; T55-L182 WeakPolarHBondContact CG2-O 3.47Å; T55-A334 HydrophobicContact CG2-CB 3.67Å; T55-A334 WeakPolarHBondContact CG2-O 3.35Å; T55-T335 HydrophobicContact CG2-CG2 4.24Å
56I97.8Very high95.8Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-62.7-42.4173.6-64.3157.8000110.8L45 G52 K53 K58 Q59 M60 C231 F274 A334L45-I56 HydrophobicContact CD1-CB 4.47Å; G52-I56 PolarHBondContact O-N 2.92Å; G52-I56 VanDerWaalsContact O-N 3.08Å; K53-I56 WeakPolarHBondContact O-CA 3.35Å; K53-I56 WeakPolarHBondContact O-CB 3.43Å; K53-I56 PolarHBondContact O-N 3.31Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.98Å; I56-Q59 WeakPolarHBondContact O-CA 3.44Å; I56-Q59 WeakPolarHBondContact O-CB 3.4Å; I56-Q59 PolarHBondContact O-N 3.49Å; I56-Q59 VanDerWaalsContact O-N 3.09Å; I56-M60 WeakPolarHBondContact O-CG 3.3Å; I56-M60 PolarHBondContact O-N 3.39Å; I56-C231 WeakPolarHBondContact CD1-SG 3.43Å; I56-F274 HydrophobicContact CD1-CD2 3.58Å; I56-F274 HydrophobicContact CD1-CE2 3.9Å; I56-F274 HydrophobicContact CG1-CD2 4.5Å; I56-F274 HydrophobicContact CG1-CE2 4.49Å; I56-A334 HydrophobicContact CG1-CB 4.2Å
57V96.9Very high95.6Very high16 Ų1625.3 Ų25.310%0.09714%0.141CC..Hα-helixtrans-58.6-47.2173.6-179.70000111.2L45 K53 S54 Q59 M60 K61 T194 M205 D207L45-V57 HydrophobicContact CD1-CG2 3.51Å; K53-V57 PolarHBondContact O-N 2.85Å; K53-V57 VanDerWaalsContact O-N 3.12Å; S54-V57 PolarHBondContact O-N 2.85Å; V57-Q59 PolarHBondContact O-N 3.2Å; V57-M60 WeakPolarHBondContact O-CB 3.48Å; V57-M60 PolarHBondContact O-N 3.23Å; V57-K61 PolarHBondContact O-N 3.07Å; V57-T194 HydrophobicContact CG1-CG2 4Å; V57-T194 VanDerWaalsContact CG1-OG1 3.28Å; V57-T194 WeakPolarHBondContact CG1-OG1 3.21Å; V57-M205 HydrophobicContact CG2-CG 4.43Å; V57-M205 HydrophobicContact CG2-SD 3.93Å; V57-D207 HydrophobicContact CG2-CB 3.63Å
58K96.9Very high95.5Very high24 Ų2426.2 Ų26.210%0.10414%0.144CC..Hα-helixtrans-58.6-34.9176.7-69.7169.6-179.5178.20111.8S54 T55 I56 K61 I62 Y68 I181 L182 T184S54-K58 VanDerWaalsContact O-CG 3.25Å; S54-K58 WeakPolarHBondContact O-CG 3.37Å; S54-K58 PolarHBondContact O-N 2.87Å; T55-K58 WeakPolarHBondContact O-CB 3.48Å; T55-K58 PolarHBondContact O-N 2.84Å; I56-K58 VanDerWaalsContact C-N 3.34Å; I56-K58 PolarHBondContact O-N 2.98Å; K58-K61 PolarHBondContact O-N 3.16Å; K58-I62 WeakPolarHBondContact O-CG1 3.48Å; K58-I62 PolarHBondContact O-N 2.96Å; K58-Y68 VanDerWaalsContact CA-OH 3.24Å; K58-Y68 WeakPolarHBondContact CA-OH 3.28Å; K58-Y68 WeakPolarHBondContact CB-OH 3.4Å; K58-Y68 VanDerWaalsContact CG-OH 3.27Å; K58-Y68 WeakPolarHBondContact CG-OH 3.34Å; K58-Y68 PolarHBondContact O-OH 2.94Å; K58-I181 HydrophobicContact CD-CG2 4.25Å; K58-I181 PolarHBondContact NZ-O 3.3Å; K58-L182 HydrophobicContact CB-CD2 3.88Å; K58-T184 PolarHBondContact NZ-O 2.96Å; K58-T184 PolarHBondContact NZ-OG1 2.82Å
59Q97.4Very high95.5Very high0 Ų028.1 Ų28.10%016%0.157CC..Hα-helixtrans-68.5-36.2175.3-70.7-73.322.600112.5T55 I56 V57 K61 I62 I63 L182 A334 T337 I340T55-Q59 WeakPolarHBondContact O-CG 3.27Å; T55-Q59 PolarHBondContact O-N 3.35Å; I56-Q59 WeakPolarHBondContact O-CA 3.44Å; I56-Q59 WeakPolarHBondContact O-CB 3.4Å; I56-Q59 PolarHBondContact O-N 3.49Å; I56-Q59 VanDerWaalsContact O-N 3.09Å; V57-Q59 PolarHBondContact O-N 3.2Å; Q59-K61 VanDerWaalsContact C-N 3.25Å; Q59-K61 PolarHBondContact O-N 3.14Å; Q59-I62 PolarHBondContact O-N 3.29Å; Q59-I63 HydrophobicContact CB-CD1 4.08Å; Q59-I63 WeakPolarHBondContact O-CB 3.41Å; Q59-I63 VanDerWaalsContact O-CG1 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.46Å; Q59-I63 PolarHBondContact O-N 2.87Å; Q59-L182 HydrophobicContact CG-CD2 3.75Å; Q59-A334 VanDerWaalsContact CG-O 3.26Å; Q59-A334 WeakPolarHBondContact CG-O 3.49Å; Q59-A334 PolarHBondContact NE2-O 2.73Å; Q59-T337 PolarHBondContact NE2-OG1 3.48Å; Q59-T337 PolarHBondContact OE1-OG1 2.84Å; Q59-I340 HydrophobicContact CB-CB 4.44Å; Q59-I340 HydrophobicContact CB-CG2 3.78Å; Q59-I340 HydrophobicContact CG-CB 4.32Å; Q59-I340 HydrophobicContact CG-CG1 4.24Å; Q59-I340 HydrophobicContact CG-CG2 4.15Å
60M96.3Very high95.5Very high0 Ų031.4 Ų31.40%017%0.169CC..Hα-helixtrans-59.6-40176.4-61.7-58.192.100111.5I56 V57 I62 I63 H64 F196 M205 I340 F344I56-M60 WeakPolarHBondContact O-CG 3.3Å; I56-M60 PolarHBondContact O-N 3.39Å; V57-M60 WeakPolarHBondContact O-CB 3.48Å; V57-M60 PolarHBondContact O-N 3.23Å; M60-I62 VanDerWaalsContact C-N 3.34Å; M60-I62 PolarHBondContact O-N 3.4Å; M60-I63 HydrophobicContact CE-CD1 4.21Å; M60-I63 PolarHBondContact O-N 2.91Å; M60-H64 WeakPolarHBondContact O-CB 3.18Å; M60-H64 PolarHBondContact O-N 2.95Å; M60-F196 HydrophobicContact CB-CD1 3.91Å; M60-F196 HydrophobicContact CB-CE1 3.77Å; M60-F196 HydrophobicContact CB-CG 4.37Å; M60-F196 HydrophobicContact CB-CZ 4.13Å; M60-F196 HydrophobicContact CG-CD1 4.28Å; M60-F196 HydrophobicContact CG-CE1 3.62Å; M60-F196 HydrophobicContact CG-CE2 4.4Å; M60-F196 HydrophobicContact CG-CZ 3.69Å; M60-F196 HydrophobicContact SD-CE1 4.1Å; M60-F196 HydrophobicContact SD-CE2 3.87Å; M60-F196 HydrophobicContact SD-CZ 3.5Å; M60-F196 VanDerWaalsContact SD-CZ 3.5Å; M60-M205 HydrophobicContact CG-CE 3.64Å; M60-M205 HydrophobicContact CG-SD 3.78Å; M60-M205 HydrophobicContact SD-CE 3.97Å; M60-I340 HydrophobicContact CE-CG2 3.78Å; M60-F344 HydrophobicContact CE-CB 4.38Å; M60-F344 HydrophobicContact CE-CD2 4.01Å; M60-F344 HydrophobicContact CE-CE2 4.5Å; M60-F344 HydrophobicContact CE-CG 4.03Å; M60-F344 HydrophobicContact SD-CD1 4.12Å; M60-F344 HydrophobicContact SD-CD2 3.76Å; M60-F344 HydrophobicContact SD-CE1 4.03Å; M60-F344 HydrophobicContact SD-CE2 3.66Å; M60-F344 HydrophobicContact SD-CG 4Å; M60-F344 HydrophobicContact SD-CZ 3.81Å
61K94.7Very high95.6Very high43 Ų4335.2 Ų35.219%0.18719%0.187CC..Hα-helixtrans-62.6-37.5172.6-179.5162.8-179.5167.90113.2V57 K58 Q59 E65 G67 Y68 E72V57-K61 PolarHBondContact O-N 3.07Å; K58-K61 PolarHBondContact O-N 3.16Å; Q59-K61 VanDerWaalsContact C-N 3.25Å; Q59-K61 PolarHBondContact O-N 3.14Å; K61-E65 CarbonylContact O-C 3.36Å; K61-E65 WeakPolarHBondContact O-CB 3.26Å; K61-E65 PolarHBondContact O-N 3.43Å; K61-G67 WeakPolarHBondContact CE-O 3.29Å; K61-G67 WeakPolarHBondContact O-CA 3.02Å; K61-G67 PolarHBondContact O-N 2.74Å; K61-Y68 HydrophobicContact CD-CD1 4.26Å; K61-Y68 HydrophobicContact CD-CE1 3.81Å; K61-E72 IonicContact NZ-OE1 3.4Å; K61-E72 PolarHBondContact NZ-OE1 3.46Å; K61-E72 IonicContact NZ-OE2 2.75Å
62I95.3Very high95.6Very high22 Ų2238.4 Ų38.411%0.11320%0.202CC..Hα-helixtrans-73.3-40.7177.6-66.3169.4000111.9K58 Q59 M60 Y68 Q178 L182 T337K58-I62 WeakPolarHBondContact O-CG1 3.48Å; K58-I62 PolarHBondContact O-N 2.96Å; Q59-I62 PolarHBondContact O-N 3.29Å; M60-I62 VanDerWaalsContact C-N 3.34Å; M60-I62 PolarHBondContact O-N 3.4Å; I62-Y68 HydrophobicContact CD1-CD2 4.36Å; I62-Y68 HydrophobicContact CD1-CE2 3.95Å; I62-Y68 HydrophobicContact CG1-CD2 4.01Å; I62-Y68 HydrophobicContact CG1-CE2 3.72Å; I62-Q178 HydrophobicContact CD1-CB 4.2Å; I62-L182 HydrophobicContact CD1-CD1 3.94Å; I62-L182 HydrophobicContact CD1-CD2 3.91Å; I62-L182 HydrophobicContact CD1-CG 3.94Å; I62-T337 HydrophobicContact CG2-CG2 4.03Å
63I94.8Very high95.6Very high22 Ų2241.2 Ų41.211%0.11321%0.21CC..Hα-helixtrans-86.1-38-169.7-63.8168.2000111.6Q59 M60 T337 I340 R341Q59-I63 HydrophobicContact CB-CD1 4.08Å; Q59-I63 WeakPolarHBondContact O-CB 3.41Å; Q59-I63 VanDerWaalsContact O-CG1 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.46Å; Q59-I63 PolarHBondContact O-N 2.87Å; M60-I63 HydrophobicContact CE-CD1 4.21Å; M60-I63 PolarHBondContact O-N 2.91Å; I63-T337 HydrophobicContact CD1-CG2 4.21Å; I63-T337 HydrophobicContact CG1-CG2 3.78Å; I63-I340 HydrophobicContact CD1-CB 4.21Å; I63-I340 HydrophobicContact CD1-CG2 3.79Å; I63-R341 HydrophobicContact CD1-CB 4.12Å; I63-R341 HydrophobicContact CG2-CB 4.33Å; I63-R341 HydrophobicContact CG2-CG 4.15Å
64H91.9Very high95.5Very high38 Ų3845.4 Ų45.418%0.17623%0.228CC..Hα-helixtrans-117.3-4.9-169.4-57.7-59.8000114.4M60 F196 Y198 F344M60-H64 WeakPolarHBondContact O-CB 3.18Å; M60-H64 PolarHBondContact O-N 2.95Å; H64-F196 HydrophobicContact CB-CB 4.34Å; H64-F196 HydrophobicContact CB-CD2 3.98Å; H64-F196 HydrophobicContact CB-CG 4.47Å; H64-F196 AromaticContact CD2-CD2 3.83Å; H64-F196 AromaticContact CD2-CE2 3.83Å; H64-Y198 AromaticContact CE1-CD2 3.18Å; H64-Y198 WeakPolarHBondContact CE1-CD2 3.03Å; H64-Y198 AromaticContact CE1-CE2 3.46Å; H64-Y198 VanDerWaalsContact CE1-CE2 3.46Å; H64-Y198 WeakPolarHBondContact CE1-CE2 3.27Å; H64-Y198 AromaticContact CE1-CG 3.48Å; H64-Y198 VanDerWaalsContact CE1-CG 3.48Å; H64-Y198 AromaticContact CE1-CZ 3.98Å; H64-Y198 AromaticContact ND1-CD2 3.29Å; H64-Y198 VanDerWaalsContact ND1-CD2 3.29Å; H64-Y198 WeakPolarHBondContact ND1-CD2 3.4Å; H64-Y198 AromaticContact ND1-CE2 3.88Å; H64-Y198 AromaticContact ND1-CG 3.77Å; H64-F344 AromaticContact NE2-CD1 3.5Å; H64-F344 WeakPolarHBondContact NE2-CD1 3.3Å; H64-F344 AromaticContact NE2-CE1 3.82Å
65E90.4Very high95.5Very high86 Ų8647.4 Ų47.440%0.40225%0.246SC..SBendtrans-120.6-142.6173.1-55.1179.5-173.700110.7K61 F196K61-E65 CarbonylContact O-C 3.36Å; K61-E65 WeakPolarHBondContact O-CB 3.26Å; K61-E65 PolarHBondContact O-N 3.43Å; E65-F196 HydrophobicContact CG-CB 4.49Å
66T90.2Very high95.5Very high136 Ų13649.2 Ų49.283%0.83425%0.251SS*.  trans-98.45.8-178.7570000112.9
67G93.2Very high95.4Very high1 Ų151.1 Ų51.11%0.0126%0.259CS..  trans67.9-145.7-168.600000112K61K61-G67 WeakPolarHBondContact CE-O 3.29Å; K61-G67 WeakPolarHBondContact O-CA 3.02Å; K61-G67 PolarHBondContact O-N 2.74Å
68Y95.5Very high95.5Very high20 Ų2053.1 Ų53.18%0.07827%0.273CS..  trans-107.5123.9-179.5-62.7-90.3000110.4K58 K61 I62 E72 Y76 I181K58-Y68 VanDerWaalsContact CA-OH 3.24Å; K58-Y68 WeakPolarHBondContact CA-OH 3.28Å; K58-Y68 WeakPolarHBondContact CB-OH 3.4Å; K58-Y68 VanDerWaalsContact CG-OH 3.27Å; K58-Y68 WeakPolarHBondContact CG-OH 3.34Å; K58-Y68 PolarHBondContact O-OH 2.94Å; K61-Y68 HydrophobicContact CD-CD1 4.26Å; K61-Y68 HydrophobicContact CD-CE1 3.81Å; I62-Y68 HydrophobicContact CD1-CD2 4.36Å; I62-Y68 HydrophobicContact CD1-CE2 3.95Å; I62-Y68 HydrophobicContact CG1-CD2 4.01Å; I62-Y68 HydrophobicContact CG1-CE2 3.72Å; Y68-E72 HydrophobicContact CD1-CB 4.33Å; Y68-Y76 HydrophobicContact CD1-CE2 4.03Å; Y68-Y76 AromaticContact CE1-CE2 3.89Å; Y68-Y76 HydrophobicContact CE1-CE2 3.89Å; Y68-I181 HydrophobicContact CD1-CD1 3.98Å; Y68-I181 HydrophobicContact CD1-CG2 4.49Å; Y68-I181 HydrophobicContact CD2-CD1 4.02Å; Y68-I181 HydrophobicContact CD2-CG2 4.31Å; Y68-I181 HydrophobicContact CE1-CG2 4.08Å; Y68-I181 HydrophobicContact CE2-CG2 3.9Å; Y68-I181 HydrophobicContact CG-CD1 3.69Å
69S95.9Very high95.5Very high47 Ų4753.7 Ų53.733%0.32928%0.278SS..  trans-60.3166170.459.90000111.8E71 E72 R73S69-E71 VanDerWaalsContact C-N 3.3Å; S69-E71 PolarHBondContact O-N 3.14Å; S69-E72 WeakPolarHBondContact CB-OE2 3.31Å; S69-E72 PolarHBondContact N-OE2 3Å; S69-E72 PolarHBondContact O-N 2.62Å; S69-E72 WeakPolarHBondContact OG-CB 3.41Å; S69-E72 VanDerWaalsContact OG-CD 3.25Å; S69-E72 WeakPolarHBondContact OG-CG 3.36Å; S69-E72 PolarHBondContact OG-N 3.05Å; S69-E72 PolarHBondContact OG-OE2 3.2Å; S69-R73 WeakPolarHBondContact O-CB 3.32Å; S69-R73 VanDerWaalsContact O-CG 3.22Å; S69-R73 WeakPolarHBondContact O-CG 3.38Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 PolarHBondContact O-NE 3.21Å
70E96.3Very high95.5Very high81 Ų8153.7 Ų53.738%0.37928%0.278SS..Hα-helixtrans-63-38.9177.1-171.6176.5133.700112.2R73 K74 I175E70-R73 PolarHBondContact O-N 3.25Å; E70-K74 HydrophobicContact CG-CD 4.48Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å; E70-K74 PolarHBondContact O-N 3.03Å; E70-K74 WeakPolarHBondContact OE1-CE 3.28Å; E70-K74 IonicContact OE1-NZ 3.8Å; E70-K74 PolarHBondContact OE1-NZ 2.94Å; E70-I175 HydrophobicContact CG-CD1 3.95Å; E70-I175 HydrophobicContact CG-CG2 4.42Å
71E96.5Very high95.6Very high131 Ų13153.7 Ų53.761%0.61228%0.278SS*.Hα-helixtrans-63.1-45.8177.9-66.965.6-144.600111S69 R73 K74 A75S69-E71 VanDerWaalsContact C-N 3.3Å; S69-E71 PolarHBondContact O-N 3.14Å; E71-R73 VanDerWaalsContact C-N 3.35Å; E71-K74 PolarHBondContact O-N 3.12Å; E71-A75 PolarHBondContact O-N 3.3Å
72E96.7Very high95.7Very high68 Ų6853.5 Ų53.532%0.31828%0.282SS..Hα-helixtrans-63.9-41.3174.7-70.9169.2129.100111.4K61 Y68 S69 K74 A75 Y76K61-E72 IonicContact NZ-OE1 3.4Å; K61-E72 PolarHBondContact NZ-OE1 3.46Å; K61-E72 IonicContact NZ-OE2 2.75Å; Y68-E72 HydrophobicContact CD1-CB 4.33Å; S69-E72 WeakPolarHBondContact CB-OE2 3.31Å; S69-E72 PolarHBondContact N-OE2 3Å; S69-E72 PolarHBondContact O-N 2.62Å; S69-E72 WeakPolarHBondContact OG-CB 3.41Å; S69-E72 VanDerWaalsContact OG-CD 3.25Å; S69-E72 WeakPolarHBondContact OG-CG 3.36Å; S69-E72 PolarHBondContact OG-N 3.05Å; S69-E72 PolarHBondContact OG-OE2 3.2Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 2.85Å; E72-A75 WeakPolarHBondContact O-CB 3.29Å; E72-A75 PolarHBondContact O-N 2.84Å; E72-A75 VanDerWaalsContact O-N 3.13Å; E72-Y76 VanDerWaalsContact O-CD2 3.27Å; E72-Y76 WeakPolarHBondContact O-CD2 3.44Å; E72-Y76 PolarHBondContact O-N 3.2Å
73R97.6Very high95.8Very high69 Ų6953.1 Ų53.126%0.2628%0.28SS..Hα-helixtrans-60.6-44175.8-71.8-178.4-57.2142.7-5.4111.6S69 E70 E71 A75 Y76 I175 P176 I181S69-R73 WeakPolarHBondContact O-CB 3.32Å; S69-R73 VanDerWaalsContact O-CG 3.22Å; S69-R73 WeakPolarHBondContact O-CG 3.38Å; S69-R73 PolarHBondContact O-N 3.26Å; S69-R73 PolarHBondContact O-NE 3.21Å; E70-R73 PolarHBondContact O-N 3.25Å; E71-R73 VanDerWaalsContact C-N 3.35Å; R73-A75 VanDerWaalsContact C-N 3.28Å; R73-A75 PolarHBondContact O-N 2.82Å; R73-Y76 PolarHBondContact O-N 3.06Å; R73-Y76 VanDerWaalsContact O-N 3.07Å; R73-I175 HydrophobicContact CB-CG2 3.78Å; R73-P176 WeakPolarHBondContact CB-O 3.46Å; R73-P176 VanDerWaalsContact CD-O 3.29Å; R73-P176 WeakPolarHBondContact CD-O 3.46Å; R73-P176 VanDerWaalsContact O-CD 3.27Å; R73-P176 WeakPolarHBondContact O-CD 3.48Å; R73-P176 VanDerWaalsContact O-CG 3.23Å; R73-P176 WeakPolarHBondContact O-CG 3.29Å; R73-I181 HydrophobicContact CB-CD1 4.33Å; R73-I181 HydrophobicContact CG-CD1 3.64Å
74K96.5Very high96Very high96 Ų9652.1 Ų52.142%0.41728%0.275SS..Hα-helixtrans-58.5-39.4173.9-74.8171.4-176.5161.90111.8E70 E71 E72 Y76 K77 I175E70-K74 HydrophobicContact CG-CD 4.48Å; E70-K74 WeakPolarHBondContact O-CG 3.33Å; E70-K74 PolarHBondContact O-N 3.03Å; E70-K74 WeakPolarHBondContact OE1-CE 3.28Å; E70-K74 IonicContact OE1-NZ 3.8Å; E70-K74 PolarHBondContact OE1-NZ 2.94Å; E71-K74 PolarHBondContact O-N 3.12Å; E72-K74 VanDerWaalsContact C-N 3.35Å; E72-K74 PolarHBondContact O-N 2.85Å; K74-Y76 PolarHBondContact O-N 3.46Å; K74-K77 VanDerWaalsContact O-CB 3.3Å; K74-K77 WeakPolarHBondContact O-CB 3.35Å; K74-K77 PolarHBondContact O-N 2.99Å; K74-I175 HydrophobicContact CG-CD1 4.49Å; K74-I175 HydrophobicContact CG-CG1 4.17Å; K74-I175 HydrophobicContact CG-CG2 4.29Å
75A96.5Very high96.3Very high72 Ų7250.8 Ų50.860%0.59527%0.269SS*.Hα-helixtrans-64.3-20.9177.100000113.9E71 E72 R73E71-A75 PolarHBondContact O-N 3.3Å; E72-A75 WeakPolarHBondContact O-CB 3.29Å; E72-A75 PolarHBondContact O-N 2.84Å; E72-A75 VanDerWaalsContact O-N 3.13Å; R73-A75 VanDerWaalsContact C-N 3.28Å; R73-A75 PolarHBondContact O-N 2.82Å
76Y97.5Very high96.6Very high61 Ų6151.1 Ų51.124%0.23927%0.271CS..THydrogen-bonded Turntrans-83.2-12.8173.5-82.5-81.6000114.3Y68 E72 R73 K74 V79 V80 I181 T184Y68-Y76 HydrophobicContact CD1-CE2 4.03Å; Y68-Y76 AromaticContact CE1-CE2 3.89Å; Y68-Y76 HydrophobicContact CE1-CE2 3.89Å; E72-Y76 VanDerWaalsContact O-CD2 3.27Å; E72-Y76 WeakPolarHBondContact O-CD2 3.44Å; E72-Y76 PolarHBondContact O-N 3.2Å; R73-Y76 PolarHBondContact O-N 3.06Å; R73-Y76 VanDerWaalsContact O-N 3.07Å; K74-Y76 PolarHBondContact O-N 3.46Å; Y76-V79 PolarHBondContact O-N 3.44Å; Y76-V79 VanDerWaalsContact O-N 3.08Å; Y76-V80 PolarHBondContact O-N 2.83Å; Y76-I181 HydrophobicContact CD1-CG1 4.37Å; Y76-I181 HydrophobicContact CD1-CG2 4.32Å; Y76-I181 HydrophobicContact CD2-CD1 3.57Å; Y76-I181 HydrophobicContact CD2-CG1 3.75Å; Y76-I181 HydrophobicContact CD2-CG2 4.17Å; Y76-I181 HydrophobicContact CE1-CG2 4.11Å; Y76-I181 HydrophobicContact CE2-CD1 4.08Å; Y76-I181 HydrophobicContact CE2-CG1 4.36Å; Y76-I181 HydrophobicContact CE2-CG2 3.95Å; Y76-I181 HydrophobicContact CG-CD1 4.11Å; Y76-I181 HydrophobicContact CG-CG1 3.77Å; Y76-I181 HydrophobicContact CG-CG2 4.36Å; Y76-T184 HydrophobicContact CD1-CG2 4.18Å
77K97.2Very high97Very high40 Ų4044.7 Ų44.717%0.17423%0.231CC..Hα-helixtrans-54-48.1-178.3178.3-167.7173.6-151.40111.9K74 V79 V80 C81 E125 Y174 P176K74-K77 VanDerWaalsContact O-CB 3.3Å; K74-K77 WeakPolarHBondContact O-CB 3.35Å; K74-K77 PolarHBondContact O-N 2.99Å; K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 2.9Å; K77-V80 PolarHBondContact O-N 2.86Å; K77-V80 VanDerWaalsContact O-N 3.17Å; K77-C81 PolarHBondContact O-N 2.89Å; K77-C81 PolarHBondContact O-SG 2.98Å; K77-C81 VanDerWaalsContact O-SG 3.38Å; K77-E125 IonicContact NZ-OE1 3.49Å; K77-E125 PolarHBondContact NZ-OE1 2.91Å; K77-E125 IonicContact NZ-OE2 3.08Å; K77-E125 PolarHBondContact NZ-OE2 3.28Å; K77-Y174 HydrophobicContact CG-CD1 4.24Å; K77-Y174 HydrophobicContact CG-CE1 4.42Å; K77-P176 HydrophobicContact CB-CG 4.04Å
78P97.3Very high97.2Very high59 Ų5944.7 Ų44.738%0.38323%0.231SC..Hα-helixtrans-55.9-39.7177.7-29.638.6000114.1S82 G124P78-S82 WeakPolarHBondContact O-CB 3.38Å; P78-S82 PolarHBondContact O-N 2.94Å; P78-G124 VanDerWaalsContact CA-CA 3.42Å; P78-G124 WeakPolarHBondContact CA-O 3.43Å
79V97.5Very high97.4Very high36 Ų3643.9 Ų43.922%0.21823%0.228CC..Hα-helixtrans-68.9-43.9-179.6-174.70000110.7Y76 K77 S82 N83 T184 V186Y76-V79 PolarHBondContact O-N 3.44Å; Y76-V79 VanDerWaalsContact O-N 3.08Å; K77-V79 VanDerWaalsContact C-N 3.26Å; K77-V79 PolarHBondContact O-N 2.9Å; V79-S82 PolarHBondContact O-N 2.91Å; V79-N83 WeakPolarHBondContact O-CB 3.4Å; V79-N83 PolarHBondContact O-N 2.97Å; V79-N83 PolarHBondContact O-OD1 3.28Å; V79-T184 HydrophobicContact CB-CG2 4.33Å; V79-T184 HydrophobicContact CG1-CG2 4Å; V79-V186 HydrophobicContact CG1-CG2 3.61Å; V79-V186 HydrophobicContact CG2-CG2 4.38Å
80V98.1Very high97.5Very high0 Ų042.9 Ų42.90%022%0.223CC..Hα-helixtrans-59.5-50.5176.2172.50000110.6Y76 K77 S82 N83 T84 Y162 L169 Y174 P176 D180 T184Y76-V80 PolarHBondContact O-N 2.83Å; K77-V80 PolarHBondContact O-N 2.86Å; K77-V80 VanDerWaalsContact O-N 3.17Å; V80-S82 PolarHBondContact O-N 3.29Å; V80-N83 PolarHBondContact O-N 2.88Å; V80-T84 WeakPolarHBondContact O-CB 3.48Å; V80-T84 PolarHBondContact O-N 3.43Å; V80-T84 PolarHBondContact O-OG1 2.89Å; V80-Y162 HydrophobicContact CB-CE1 4.45Å; V80-Y162 HydrophobicContact CG1-CD1 3.89Å; V80-Y162 HydrophobicContact CG1-CE1 3.56Å; V80-Y162 HydrophobicContact CG2-CE1 4.32Å; V80-L169 HydrophobicContact CG1-CD1 4.39Å; V80-L169 HydrophobicContact CG1-CD2 3.93Å; V80-Y174 HydrophobicContact CG1-CE1 4.23Å; V80-P176 HydrophobicContact CG2-CB 4.41Å; V80-P176 HydrophobicContact CG2-CG 4.25Å; V80-D180 HydrophobicContact CG2-CB 4.12Å; V80-T184 HydrophobicContact CG2-CG2 3.53Å
81C97.7Very high97.6Very high0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-60.2-48.3179.5-66.10000111.2K77 T84 I85 G124 L126K77-C81 PolarHBondContact O-N 2.89Å; K77-C81 PolarHBondContact O-SG 2.98Å; K77-C81 VanDerWaalsContact O-SG 3.38Å; C81-T84 PolarHBondContact O-N 2.82Å; C81-I85 WeakPolarHBondContact O-CG1 3.33Å; C81-I85 PolarHBondContact O-N 3.05Å; C81-G124 WeakPolarHBondContact CB-O 3.38Å; C81-G124 PolarHBondContact SG-O 2.84Å; C81-L126 HydrophobicContact CB-CB 4.16Å
82S96.9Very high97.7Very high38 Ų3833.4 Ų33.427%0.26618%0.179SC..Hα-helixtrans-59.6-49.1177.5179.10000112P78 V79 V80 T84 I85 Q86P78-S82 WeakPolarHBondContact O-CB 3.38Å; P78-S82 PolarHBondContact O-N 2.94Å; V79-S82 PolarHBondContact O-N 2.91Å; V80-S82 PolarHBondContact O-N 3.29Å; S82-T84 VanDerWaalsContact C-N 3.29Å; S82-T84 PolarHBondContact O-N 3.13Å; S82-I85 PolarHBondContact O-N 2.81Å; S82-Q86 WeakPolarHBondContact O-CB 3.42Å; S82-Q86 VanDerWaalsContact O-CG 3.26Å; S82-Q86 WeakPolarHBondContact O-CG 3.38Å; S82-Q86 PolarHBondContact O-N 3.22Å
83N97.6Very high97.7Very high15 Ų1537.3 Ų37.38%0.0819%0.191CC..Hα-helixtrans-59-40.7177.2-69.1169.8000112.1V79 V80 S87 Y162 T184 R185V79-N83 WeakPolarHBondContact O-CB 3.4Å; V79-N83 PolarHBondContact O-N 2.97Å; V79-N83 PolarHBondContact O-OD1 3.28Å; V80-N83 PolarHBondContact O-N 2.88Å; N83-S87 WeakPolarHBondContact O-CB 3.36Å; N83-S87 PolarHBondContact O-N 2.81Å; N83-S87 PolarHBondContact O-OG 2.91Å; N83-S87 VanDerWaalsContact O-OG 3.09Å; N83-Y162 HydrophobicContact CB-CE2 4.35Å; N83-T184 WeakPolarHBondContact OD1-CA 3.35Å; N83-R185 PolarHBondContact ND2-O 2.94Å; N83-R185 VanDerWaalsContact ND2-O 3.09Å; N83-R185 PolarHBondContact OD1-N 3.28Å; N83-R185 PolarHBondContact OD1-O 3.37Å
84T98.3Very high97.8Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-64.8-47179.2-520000111.6V80 C81 S82 S87 M88 M134 Y162 L163 L166 L169V80-T84 WeakPolarHBondContact O-CB 3.48Å; V80-T84 PolarHBondContact O-N 3.43Å; V80-T84 PolarHBondContact O-OG1 2.89Å; C81-T84 PolarHBondContact O-N 2.82Å; S82-T84 VanDerWaalsContact C-N 3.29Å; S82-T84 PolarHBondContact O-N 3.13Å; T84-S87 PolarHBondContact O-N 3.21Å; T84-M88 PolarHBondContact O-N 3.32Å; T84-M134 HydrophobicContact CG2-CE 3.86Å; T84-M134 WeakPolarHBondContact O-CE 3.42Å; T84-Y162 VanDerWaalsContact OG1-CB 3.31Å; T84-Y162 WeakPolarHBondContact OG1-CB 3.4Å; T84-L163 HydrophobicContact CG2-CD2 4.06Å; T84-L166 HydrophobicContact CG2-CD2 3.95Å; T84-L169 HydrophobicContact CG2-CD1 4.13Å
85I98Very high97.9Very high10 Ų1030 Ų305%0.05116%0.161CC..Hα-helixtrans-64.4-48178.7-68.2166.4000110.6C81 S82 S87 M88 V89 V118 V121 L126 L130 M134C81-I85 WeakPolarHBondContact O-CG1 3.33Å; C81-I85 PolarHBondContact O-N 3.05Å; S82-I85 PolarHBondContact O-N 2.81Å; I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 PolarHBondContact O-N 3.02Å; I85-M88 PolarHBondContact O-N 3.41Å; I85-M88 VanDerWaalsContact O-N 3.13Å; I85-V89 HydrophobicContact CG2-CG2 4.38Å; I85-V89 WeakPolarHBondContact O-CG2 3.12Å; I85-V89 PolarHBondContact O-N 3.08Å; I85-V118 HydrophobicContact CG2-CB 4.42Å; I85-V118 HydrophobicContact CG2-CG1 3.89Å; I85-V118 HydrophobicContact CG2-CG2 3.62Å; I85-V121 HydrophobicContact CD1-CG1 4.47Å; I85-L126 HydrophobicContact CD1-CD1 4.15Å; I85-L126 HydrophobicContact CG1-CD1 3.97Å; I85-L130 HydrophobicContact CD1-CD2 3.78Å; I85-L130 HydrophobicContact CG1-CD2 4.14Å; I85-M134 HydrophobicContact CG1-CE 4.33Å; I85-M134 HydrophobicContact CG1-SD 4.23Å
86Q97.2Very high97.9Very high94 Ų9429.1 Ų29.144%0.43916%0.16SC..Hα-helixtrans-64.2-34.7-179.4-66.7-56-37.700112.3S82 V89 A90S82-Q86 WeakPolarHBondContact O-CB 3.42Å; S82-Q86 VanDerWaalsContact O-CG 3.26Å; S82-Q86 WeakPolarHBondContact O-CG 3.38Å; S82-Q86 PolarHBondContact O-N 3.22Å; Q86-V89 PolarHBondContact O-N 3.25Å; Q86-A90 WeakPolarHBondContact O-CB 3.15Å; Q86-A90 PolarHBondContact O-N 3.18Å
87S98.3Very high97.8Very high1 Ų134 Ų341%0.00718%0.184CC..Hα-helixtrans-60.3-45.6171.7-76.20000112N83 T84 I85 A90 V91 A159N83-S87 WeakPolarHBondContact O-CB 3.36Å; N83-S87 PolarHBondContact O-N 2.81Å; N83-S87 PolarHBondContact O-OG 2.91Å; N83-S87 VanDerWaalsContact O-OG 3.09Å; T84-S87 PolarHBondContact O-N 3.21Å; I85-S87 VanDerWaalsContact C-N 3.29Å; I85-S87 PolarHBondContact O-N 3.02Å; S87-A90 PolarHBondContact O-N 3.06Å; S87-V91 WeakPolarHBondContact O-CG2 3.45Å; S87-V91 PolarHBondContact O-N 3.07Å; S87-V91 VanDerWaalsContact O-N 3.15Å; S87-A159 WeakPolarHBondContact OG-CB 3.36Å
88M98.5Very high97.9Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-65.8-42.2175.8-176.95773.900112T84 I85 A90 V91 I92 F114 M134 L137 W138 L163T84-M88 PolarHBondContact O-N 3.32Å; I85-M88 PolarHBondContact O-N 3.41Å; I85-M88 VanDerWaalsContact O-N 3.13Å; M88-A90 VanDerWaalsContact C-N 3.28Å; M88-A90 PolarHBondContact O-N 3.37Å; M88-V91 PolarHBondContact O-N 3.01Å; M88-I92 HydrophobicContact CG-CG1 4.2Å; M88-I92 WeakPolarHBondContact O-CG1 3.46Å; M88-I92 PolarHBondContact O-N 3.13Å; M88-I92 HydrophobicContact SD-CD1 3.99Å; M88-I92 HydrophobicContact SD-CG1 3.79Å; M88-F114 HydrophobicContact CB-CE1 4.29Å; M88-F114 HydrophobicContact CB-CE2 4.18Å; M88-F114 HydrophobicContact CB-CZ 3.65Å; M88-F114 HydrophobicContact CG-CD1 4.39Å; M88-F114 HydrophobicContact CG-CD2 4.46Å; M88-F114 HydrophobicContact CG-CE1 3.75Å; M88-F114 HydrophobicContact CG-CE2 3.85Å; M88-F114 HydrophobicContact CG-CZ 3.45Å; M88-F114 VanDerWaalsContact CG-CZ 3.45Å; M88-M134 HydrophobicContact CB-CE 3.73Å; M88-M134 HydrophobicContact CE-CB 4.34Å; M88-M134 WeakPolarHBondContact CE-O 3.39Å; M88-M134 HydrophobicContact CG-CE 4.39Å; M88-M134 HydrophobicContact CG-CG 4.26Å; M88-L137 HydrophobicContact CE-CB 4.2Å; M88-L137 HydrophobicContact SD-CB 4.16Å; M88-W138 HydrophobicContact CE-CB 3.76Å; M88-W138 HydrophobicContact CE-CE3 4.22Å; M88-W138 HydrophobicContact CE-CG 4.48Å; M88-L163 HydrophobicContact CB-CD2 4.26Å; M88-L163 HydrophobicContact CE-CD1 4.23Å; M88-L163 HydrophobicContact CE-CD2 3.83Å
89V98.2Very high97.9Very high4 Ų440 Ų402%0.02421%0.206CC..Hα-helixtrans-55.3-44.7174.4166.30000111.2I85 Q86 R93 F114 F115 V118I85-V89 HydrophobicContact CG2-CG2 4.38Å; I85-V89 WeakPolarHBondContact O-CG2 3.12Å; I85-V89 PolarHBondContact O-N 3.08Å; Q86-V89 PolarHBondContact O-N 3.25Å; V89-R93 HydrophobicContact CG1-CG 4.48Å; V89-R93 VanDerWaalsContact CG1-CZ 3.43Å; V89-R93 WeakPolarHBondContact O-CB 3.27Å; V89-R93 VanDerWaalsContact O-CG 3.31Å; V89-R93 WeakPolarHBondContact O-CG 3.49Å; V89-R93 PolarHBondContact O-N 3.36Å; V89-F114 HydrophobicContact CG2-CE1 3.72Å; V89-F114 HydrophobicContact CG2-CZ 3.7Å; V89-F115 HydrophobicContact CG1-CE1 4.15Å; V89-F115 HydrophobicContact CG2-CE1 4.17Å; V89-V118 HydrophobicContact CG2-CG1 4.37Å
90A98.4Very high97.9Very high26 Ų2638.8 Ų38.822%0.21520%0.198CC..Hα-helixtrans-61.5-47.6179.100000111.8Q86 S87 M88 R93 A94 L155Q86-A90 WeakPolarHBondContact O-CB 3.15Å; Q86-A90 PolarHBondContact O-N 3.18Å; S87-A90 PolarHBondContact O-N 3.06Å; M88-A90 VanDerWaalsContact C-N 3.28Å; M88-A90 PolarHBondContact O-N 3.37Å; A90-R93 PolarHBondContact O-N 3.15Å; A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.18Å; A90-A94 PolarHBondContact O-N 3.18Å; A90-L155 HydrophobicContact CB-CD1 4.03Å
91V98.6Very high97.9Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-62.2-50.2179.2178.80000111.3S87 M88 R93 A94 M95 V143 C146 Y153 L155S87-V91 WeakPolarHBondContact O-CG2 3.45Å; S87-V91 PolarHBondContact O-N 3.07Å; S87-V91 VanDerWaalsContact O-N 3.15Å; M88-V91 PolarHBondContact O-N 3.01Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.05Å; V91-A94 WeakPolarHBondContact O-CB 3.29Å; V91-A94 PolarHBondContact O-N 2.8Å; V91-A94 VanDerWaalsContact O-N 3.14Å; V91-M95 WeakPolarHBondContact O-CG 3.36Å; V91-M95 PolarHBondContact O-N 2.86Å; V91-V143 HydrophobicContact CG1-CG1 3.85Å; V91-C146 HydrophobicContact CG1-CB 4.27Å; V91-Y153 HydrophobicContact CG2-CE2 4.36Å; V91-L155 HydrophobicContact CG2-CD1 3.87Å; V91-L155 HydrophobicContact CG2-CD2 3.98Å
92I98.4Very high98Very high13 Ų1345.6 Ų45.67%0.06724%0.238CC..Hα-helixtrans-64.8-36.4-177.5-59.6-59.5000111.9M88 M95 F102 A111 F115 L137 V143M88-I92 HydrophobicContact CG-CG1 4.2Å; M88-I92 WeakPolarHBondContact O-CG1 3.46Å; M88-I92 PolarHBondContact O-N 3.13Å; M88-I92 HydrophobicContact SD-CD1 3.99Å; M88-I92 HydrophobicContact SD-CG1 3.79Å; I92-M95 HydrophobicContact CD1-SD 3.95Å; I92-M95 PolarHBondContact O-N 3.42Å; I92-F102 HydrophobicContact CD1-CE1 4.01Å; I92-F102 HydrophobicContact CD1-CZ 4.31Å; I92-A111 HydrophobicContact CG2-CB 4.14Å; I92-F115 HydrophobicContact CB-CE2 4.34Å; I92-F115 HydrophobicContact CB-CZ 4.17Å; I92-F115 HydrophobicContact CG2-CE2 3.57Å; I92-F115 HydrophobicContact CG2-CZ 3.87Å; I92-L137 HydrophobicContact CD1-CB 4.48Å; I92-L137 HydrophobicContact CD1-CD1 4.41Å; I92-L137 HydrophobicContact CD1-CD2 4.26Å; I92-V143 HydrophobicContact CD1-CG2 3.84Å
93R98.2Very high98Very high150 Ų15045.8 Ų45.857%0.56625%0.246SC*.Hα-helixtrans-66.8-42.3173.3-74.3177.2177.2164.40.7111.7V89 A90 V91 M95 G96 H97 F115V89-R93 HydrophobicContact CG1-CG 4.48Å; V89-R93 VanDerWaalsContact CG1-CZ 3.43Å; V89-R93 WeakPolarHBondContact O-CB 3.27Å; V89-R93 VanDerWaalsContact O-CG 3.31Å; V89-R93 WeakPolarHBondContact O-CG 3.49Å; V89-R93 PolarHBondContact O-N 3.36Å; A90-R93 PolarHBondContact O-N 3.15Å; V91-R93 VanDerWaalsContact C-N 3.33Å; V91-R93 PolarHBondContact O-N 3.05Å; R93-M95 VanDerWaalsContact C-N 3.29Å; R93-M95 PolarHBondContact O-N 3.21Å; R93-G96 PolarHBondContact O-N 3.15Å; R93-G96 VanDerWaalsContact O-N 3.12Å; R93-H97 PolarHBondContact O-N 2.96Å; R93-F115 HydrophobicContact CG-CZ 4.12Å
94A98.3Very high98Very high5 Ų547.5 Ų47.54%0.04126%0.255CS..Hα-helixtrans-61.5-36.1177.400000112.1A90 V91 G96 H97 L98 Y153A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.18Å; A90-A94 PolarHBondContact O-N 3.18Å; V91-A94 WeakPolarHBondContact O-CB 3.29Å; V91-A94 PolarHBondContact O-N 2.8Å; V91-A94 VanDerWaalsContact O-N 3.14Å; A94-G96 VanDerWaalsContact C-N 3.26Å; A94-G96 PolarHBondContact O-N 2.76Å; A94-H97 PolarHBondContact O-N 2.61Å; A94-H97 VanDerWaalsContact O-N 3.12Å; A94-L98 WeakPolarHBondContact O-CB 3.48Å; A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 3.38Å; A94-Y153 HydrophobicContact CB-CD1 3.49Å; A94-Y153 VanDerWaalsContact CB-CD1 3.49Å; A94-Y153 HydrophobicContact CB-CD2 3.61Å; A94-Y153 HydrophobicContact CB-CE1 3.62Å; A94-Y153 HydrophobicContact CB-CE2 3.74Å; A94-Y153 HydrophobicContact CB-CG 3.49Å; A94-Y153 VanDerWaalsContact CB-CG 3.49Å
95M98.4Very high97.9Very high5 Ų552.6 Ų52.63%0.02529%0.288CS..Hα-helixtrans-54.7-43.2173-69.8-179.675.200112.2V91 I92 R93 K99 I100 F102 V143 C146V91-M95 WeakPolarHBondContact O-CG 3.36Å; V91-M95 PolarHBondContact O-N 2.86Å; I92-M95 HydrophobicContact CD1-SD 3.95Å; I92-M95 PolarHBondContact O-N 3.42Å; R93-M95 VanDerWaalsContact C-N 3.29Å; R93-M95 PolarHBondContact O-N 3.21Å; M95-K99 WeakPolarHBondContact O-CA 2.9Å; M95-K99 PolarHBondContact O-N 3.5Å; M95-I100 HydrophobicContact CE-CG2 4.33Å; M95-I100 WeakPolarHBondContact CE-O 3.46Å; M95-I100 PolarHBondContact O-N 3.33Å; M95-F102 HydrophobicContact CE-CD1 3.62Å; M95-F102 HydrophobicContact CE-CE1 3.7Å; M95-F102 HydrophobicContact CE-CG 4.11Å; M95-F102 HydrophobicContact CE-CZ 4.25Å; M95-F102 HydrophobicContact SD-CD1 4.23Å; M95-F102 HydrophobicContact SD-CE1 3.72Å; M95-F102 HydrophobicContact SD-CZ 4.2Å; M95-V143 HydrophobicContact CE-CG2 4.09Å; M95-V143 HydrophobicContact SD-CB 4.28Å; M95-V143 HydrophobicContact SD-CG2 3.51Å; M95-V143 VanDerWaalsContact SD-CG2 3.51Å; M95-C146 HydrophobicContact CG-CB 3.49Å; M95-C146 VanDerWaalsContact CG-CB 3.49Å; M95-C146 VanDerWaalsContact CG-SG 3.56Å; M95-C146 PolarHBondContact N-SG 2.78Å
96G97Very high97.8Very high55 Ų5558.2 Ų58.257%0.56731%0.314SS*.Hα-helixtrans-63.2-42.6176.900000112.8R93 A94 K99R93-G96 PolarHBondContact O-N 3.15Å; R93-G96 VanDerWaalsContact O-N 3.12Å; A94-G96 VanDerWaalsContact C-N 3.26Å; A94-G96 PolarHBondContact O-N 2.76Å; G96-K99 PolarHBondContact O-N 2.86Å
97H96.6Very high97.8Very high162 Ų16255.7 Ų55.775%0.7530%0.301SS*.Hα-helixtrans-70.3-42.4179.7-67.5-168.2000112.2R93 A94 K99R93-H97 PolarHBondContact O-N 2.96Å; A94-H97 PolarHBondContact O-N 2.61Å; A94-H97 VanDerWaalsContact O-N 3.12Å; H97-K99 PolarHBondContact O-N 3.37Å
98L97.7Very high97.7Very high40 Ų4057 Ų5721%0.20931%0.312CS..Hα-helixtrans-81.7-3.3179.9-60.4-179.1000113.1A94 I100 R149 E152 Y153A94-L98 WeakPolarHBondContact O-CB 3.48Å; A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 3.38Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 HydrophobicContact CB-CD1 3.79Å; L98-I100 HydrophobicContact CB-CG1 3.88Å; L98-I100 HydrophobicContact CD1-CD1 4.03Å; L98-I100 PolarHBondContact O-N 3.43Å; L98-R149 HydrophobicContact CD1-CB 4.21Å; L98-E152 HydrophobicContact CD1-CB 4.48Å; L98-E152 HydrophobicContact CD2-CB 4.34Å; L98-E152 WeakPolarHBondContact CD2-OE2 3.26Å; L98-Y153 HydrophobicContact CD1-CD1 4.12Å; L98-Y153 HydrophobicContact CD1-CE1 4.2Å
99K97.9Very high97.6Very high185 Ų18561.3 Ų61.380%0.80434%0.335SS*.THydrogen-bonded Turntrans55.840.6-178.4-56.6179.5-179.6176.20113.1M95 G96 H97M95-K99 WeakPolarHBondContact O-CA 2.9Å; M95-K99 PolarHBondContact O-N 3.5Å; G96-K99 PolarHBondContact O-N 2.86Å; H97-K99 PolarHBondContact O-N 3.37Å
100I98.1Very high97.6Very high11 Ų1161.8 Ų61.86%0.05634%0.338CS..  trans-90.9115.7177.6-58.7171.1000107.8M95 L98 G142 E145 C146M95-I100 HydrophobicContact CE-CG2 4.33Å; M95-I100 WeakPolarHBondContact CE-O 3.46Å; M95-I100 PolarHBondContact O-N 3.33Å; L98-I100 VanDerWaalsContact C-N 3.29Å; L98-I100 HydrophobicContact CB-CD1 3.79Å; L98-I100 HydrophobicContact CB-CG1 3.88Å; L98-I100 HydrophobicContact CD1-CD1 4.03Å; L98-I100 PolarHBondContact O-N 3.43Å; I100-G142 WeakPolarHBondContact CG2-O 3.19Å; I100-E145 HydrophobicContact CG2-CB 4.3Å; I100-E145 HydrophobicContact CG2-CG 4.38Å; I100-C146 HydrophobicContact CD1-CB 3.66Å
101P97.9Very high97.6Very high96 Ų9660.9 Ų60.962%0.62333%0.33SS*.  trans-70.8157.2175.831.5-34.5000110.7G142P101-G142 WeakPolarHBondContact O-CA 3.27Å
102F98.5Very high97.5Very high47 Ų4768.8 Ų68.821%0.20636%0.36CS..  trans-63.5145.6164.9-67.5-73.5000110.3I92 M95 D104 R107 A108 A111 L137 V143I92-F102 HydrophobicContact CD1-CE1 4.01Å; I92-F102 HydrophobicContact CD1-CZ 4.31Å; M95-F102 HydrophobicContact CE-CD1 3.62Å; M95-F102 HydrophobicContact CE-CE1 3.7Å; M95-F102 HydrophobicContact CE-CG 4.11Å; M95-F102 HydrophobicContact CE-CZ 4.25Å; M95-F102 HydrophobicContact SD-CD1 4.23Å; M95-F102 HydrophobicContact SD-CE1 3.72Å; M95-F102 HydrophobicContact SD-CZ 4.2Å; F102-D104 VanDerWaalsContact C-N 3.35Å; F102-D104 WeakPolarHBondContact CB-O 3.49Å; F102-R107 HydrophobicContact CB-CB 3.96Å; F102-R107 HydrophobicContact CD1-CB 3.58Å; F102-R107 HydrophobicContact CD2-CB 4.44Å; F102-R107 HydrophobicContact CE1-CB 4.2Å; F102-R107 HydrophobicContact CG-CB 3.73Å; F102-A108 HydrophobicContact CD2-CB 4.09Å; F102-A108 HydrophobicContact CE2-CB 4.24Å; F102-A111 HydrophobicContact CE1-CB 4.48Å; F102-A111 HydrophobicContact CE2-CB 4.11Å; F102-A111 HydrophobicContact CZ-CB 3.6Å; F102-L137 HydrophobicContact CE1-CD2 3.95Å; F102-L137 HydrophobicContact CZ-CD2 4.47Å; F102-V143 HydrophobicContact CD1-CG2 4Å; F102-V143 HydrophobicContact CE1-CG2 3.8Å
103G97.9Very high97.5Very high43 Ų4373.7 Ų73.744%0.44338%0.378SS..SBendtrans-63.4-43.4172.100000111.9D140 S141G103-D140 WeakPolarHBondContact CA-OD1 3Å; G103-D140 VanDerWaalsContact N-CG 3.33Å; G103-D140 PolarHBondContact N-OD1 3.11Å; G103-D140 PolarHBondContact N-OD2 2.71Å; G103-S141 VanDerWaalsContact CA-OG 3.29Å; G103-S141 WeakPolarHBondContact CA-OG 3.27Å
104D97.7Very high97.5Very high50 Ų5066.6 Ų66.627%0.26735%0.351SS..SBendtrans-105.9117.7170.5173.76.2000110.1F102 Q106 R107 D140F102-D104 VanDerWaalsContact C-N 3.35Å; F102-D104 WeakPolarHBondContact CB-O 3.49Å; D104-Q106 PolarHBondContact O-N 3.45Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.47Å; D104-Q106 WeakPolarHBondContact OD1-CG 3.31Å; D104-Q106 PolarHBondContact OD1-N 2.68Å; D104-R107 HydrophobicContact CB-CG 4.01Å; D104-R107 VanDerWaalsContact O-CB 3.27Å; D104-R107 WeakPolarHBondContact O-CB 3.49Å; D104-R107 WeakPolarHBondContact O-CG 3.45Å; D104-R107 PolarHBondContact O-N 2.69Å; D104-R107 IonicContact OD2-CZ 3.8Å; D104-R107 IonicContact OD2-NH1 2.73Å; D104-R107 PolarHBondContact OD2-NH1 3.25Å; D104-R107 VanDerWaalsContact OD2-NH1 3.07Å; D104-R107 IonicContact OD2-NH2 3.15Å; D104-D140 PolarHBondContact N-OD1 2.59Å
105P95.9Very high97.4Very high107 Ų10769.7 Ų69.770%0.69536%0.363SS*.THydrogen-bonded Turntrans-53.3-26.9177.5-27.835.4000114.7R107 A108P105-R107 PolarHBondContact O-N 3.04Å; P105-A108 WeakPolarHBondContact O-CB 3.44Å; P105-A108 PolarHBondContact O-N 3.47Å
106Q95Very high97.4Very high128 Ų12872.3 Ų72.360%0.59839%0.386SS*.THydrogen-bonded Turntrans-65.1-22.7176.2-61.3-177.610.800112.7D104 A108 D109D104-Q106 PolarHBondContact O-N 3.45Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.47Å; D104-Q106 WeakPolarHBondContact OD1-CG 3.31Å; D104-Q106 PolarHBondContact OD1-N 2.68Å; Q106-A108 PolarHBondContact O-N 3.12Å; Q106-D109 PolarHBondContact O-N 3.5Å; Q106-D109 VanDerWaalsContact O-N 3.13Å
107R97.6Very high97.4Very high42 Ų4271.2 Ų71.216%0.15837%0.367CS..Hα-helixtrans-66.7-17.8176.4-63-69.590.5819.1112.7F102 D104 P105 D109 D110 A111 R136 L137 D140F102-R107 HydrophobicContact CB-CB 3.96Å; F102-R107 HydrophobicContact CD1-CB 3.58Å; F102-R107 HydrophobicContact CD2-CB 4.44Å; F102-R107 HydrophobicContact CE1-CB 4.2Å; F102-R107 HydrophobicContact CG-CB 3.73Å; D104-R107 HydrophobicContact CB-CG 4.01Å; D104-R107 VanDerWaalsContact O-CB 3.27Å; D104-R107 WeakPolarHBondContact O-CB 3.49Å; D104-R107 WeakPolarHBondContact O-CG 3.45Å; D104-R107 PolarHBondContact O-N 2.69Å; D104-R107 IonicContact OD2-CZ 3.8Å; D104-R107 IonicContact OD2-NH1 2.73Å; D104-R107 PolarHBondContact OD2-NH1 3.25Å; D104-R107 VanDerWaalsContact OD2-NH1 3.07Å; D104-R107 IonicContact OD2-NH2 3.15Å; P105-R107 PolarHBondContact O-N 3.04Å; R107-D109 VanDerWaalsContact C-N 3.28Å; R107-D109 PolarHBondContact O-N 3.32Å; R107-D110 IonicContact CZ-OD2 3.27Å; R107-D110 VanDerWaalsContact CZ-OD2 3.27Å; R107-D110 IonicContact NE-OD2 3.22Å; R107-D110 PolarHBondContact NE-OD2 3.16Å; R107-D110 IonicContact NH2-OD2 3.57Å; R107-D110 PolarHBondContact NH2-OD2 2.92Å; R107-D110 VanDerWaalsContact NH2-OD2 3.11Å; R107-D110 PolarHBondContact O-N 3.48Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.33Å; R107-R136 WeakPolarHBondContact CD-O 3.34Å; R107-L137 HydrophobicContact CB-CD2 4.21Å; R107-D140 HydrophobicContact CG-CB 4.02Å; R107-D140 WeakPolarHBondContact CG-OD1 3.34Å
108A96.9Very high97.4Very high29 Ų2965 Ų6524%0.2434%0.34CS..Hα-helixtrans-61.6-36.9171.300000112.2F102 P105 Q106 A111 R112F102-A108 HydrophobicContact CD2-CB 4.09Å; F102-A108 HydrophobicContact CE2-CB 4.24Å; P105-A108 WeakPolarHBondContact O-CB 3.44Å; P105-A108 PolarHBondContact O-N 3.47Å; Q106-A108 PolarHBondContact O-N 3.12Å; A108-A111 PolarHBondContact O-N 3.09Å; A108-R112 WeakPolarHBondContact O-CG 3.29Å; A108-R112 PolarHBondContact O-N 3.43Å; A108-R112 VanDerWaalsContact O-N 3.17Å
109D96.8Very high97.2Very high89 Ų8967.2 Ų67.248%0.47636%0.364SS..Hα-helixtrans-72-38.8175.3-65.4-36000111.1Q106 R107 A111 R112 R113Q106-D109 PolarHBondContact O-N 3.5Å; Q106-D109 VanDerWaalsContact O-N 3.13Å; R107-D109 VanDerWaalsContact C-N 3.28Å; R107-D109 PolarHBondContact O-N 3.32Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.04Å; D109-R112 PolarHBondContact O-N 2.83Å; D109-R112 IonicContact OD1-CZ 3.07Å; D109-R112 VanDerWaalsContact OD1-CZ 3.22Å; D109-R112 IonicContact OD1-NH1 3.07Å; D109-R112 PolarHBondContact OD1-NH1 3.42Å; D109-R112 IonicContact OD1-NH2 3.81Å; D109-R112 PolarHBondContact OD1-NH2 3.42Å; D109-R113 WeakPolarHBondContact O-CB 3.37Å; D109-R113 PolarHBondContact O-N 2.56Å
110D97.6Very high97.1Very high15 Ų1563.6 Ų63.68%0.0836%0.358CS..Hα-helixtrans-61-40172.5-79.6-42.8000111.7R107 R113 F114 C133 R136 L137R107-D110 IonicContact CZ-OD2 3.27Å; R107-D110 VanDerWaalsContact CZ-OD2 3.27Å; R107-D110 IonicContact NE-OD2 3.22Å; R107-D110 PolarHBondContact NE-OD2 3.16Å; R107-D110 IonicContact NH2-OD2 3.57Å; R107-D110 PolarHBondContact NH2-OD2 2.92Å; R107-D110 VanDerWaalsContact NH2-OD2 3.11Å; R107-D110 PolarHBondContact O-N 3.48Å; D110-R113 PolarHBondContact O-N 2.86Å; D110-F114 VanDerWaalsContact O-CB 3.25Å; D110-F114 WeakPolarHBondContact O-CB 3.44Å; D110-F114 PolarHBondContact O-N 2.97Å; D110-C133 PolarHBondContact O-SG 3.46Å; D110-R136 IonicContact OD1-CZ 3.88Å; D110-R136 IonicContact OD1-NE 3.71Å; D110-R136 PolarHBondContact OD1-NE 3.07Å; D110-R136 IonicContact OD1-NH2 2.65Å; D110-R136 PolarHBondContact OD1-NH2 3.37Å; D110-R136 IonicContact OD2-CZ 3.82Å; D110-R136 IonicContact OD2-NE 2.72Å; D110-R136 PolarHBondContact OD2-NE 3.3Å; D110-L137 HydrophobicContact CB-CD2 3.91Å; D110-L137 HydrophobicContact CB-CG 4.15Å
111A98.1Very high96.9Very high7 Ų764.8 Ų64.86%0.05837%0.365CS..Hα-helixtrans-64.5-41.2176.400000112.1I92 F102 R107 A108 D109 F114 F115 L137I92-A111 HydrophobicContact CG2-CB 4.14Å; F102-A111 HydrophobicContact CE1-CB 4.48Å; F102-A111 HydrophobicContact CE2-CB 4.11Å; F102-A111 HydrophobicContact CZ-CB 3.6Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.33Å; A108-A111 PolarHBondContact O-N 3.09Å; D109-A111 VanDerWaalsContact C-N 3.32Å; D109-A111 PolarHBondContact O-N 3.04Å; A111-F114 WeakPolarHBondContact O-CB 3.48Å; A111-F114 PolarHBondContact O-N 3.19Å; A111-F115 WeakPolarHBondContact O-CD2 3.35Å; A111-F115 PolarHBondContact O-N 3.15Å; A111-F115 VanDerWaalsContact O-N 3.11Å; A111-L137 HydrophobicContact CB-CD2 4.16Å
112R97.7Very high96.6Very high165 Ų16567.6 Ų67.662%0.62337%0.37SS*.Hα-helixtrans-63.1-44.8173.8-69.3-174.1-133.5122.412.4111.5A108 D109 F115 A116A108-R112 WeakPolarHBondContact O-CG 3.29Å; A108-R112 PolarHBondContact O-N 3.43Å; A108-R112 VanDerWaalsContact O-N 3.17Å; D109-R112 PolarHBondContact O-N 2.83Å; D109-R112 IonicContact OD1-CZ 3.07Å; D109-R112 VanDerWaalsContact OD1-CZ 3.22Å; D109-R112 IonicContact OD1-NH1 3.07Å; D109-R112 PolarHBondContact OD1-NH1 3.42Å; D109-R112 IonicContact OD1-NH2 3.81Å; D109-R112 PolarHBondContact OD1-NH2 3.42Å; R112-F115 PolarHBondContact O-N 3.28Å; R112-A116 PolarHBondContact O-N 3.47Å; R112-A116 VanDerWaalsContact O-N 3.12Å
113R97Very high96Very high117 Ų11774.2 Ų74.244%0.44240%0.402SS..Hα-helixtrans-62.6-42.4175.9-175.6179-176.7167.82.8111.7D109 D110 F115 A116 L117 E129D109-R113 WeakPolarHBondContact O-CB 3.37Å; D109-R113 PolarHBondContact O-N 2.56Å; D110-R113 PolarHBondContact O-N 2.86Å; R113-F115 PolarHBondContact O-N 3.48Å; R113-A116 PolarHBondContact O-N 2.76Å; R113-L117 HydrophobicContact CG-CD1 3.97Å; R113-L117 HydrophobicContact CG-CG 4.3Å; R113-L117 WeakPolarHBondContact O-CG 3.26Å; R113-L117 PolarHBondContact O-N 2.83Å; R113-E129 IonicContact CZ-OE1 3.38Å; R113-E129 VanDerWaalsContact CZ-OE1 3.27Å; R113-E129 IonicContact NE-OE1 3.05Å; R113-E129 PolarHBondContact NE-OE1 3.26Å; R113-E129 VanDerWaalsContact NE-OE1 3.12Å; R113-E129 IonicContact NH2-OE1 2.71Å; R113-E129 PolarHBondContact NH2-OE1 3.14Å
114F98Very high95.4Very high0 Ų072.3 Ų72.30%038%0.382CS..Hα-helixtrans-55.5-51.9176.6168.2-110.6000111M88 V89 D110 A111 A116 L117 V118 L130 M134 L137M88-F114 HydrophobicContact CB-CE1 4.29Å; M88-F114 HydrophobicContact CB-CE2 4.18Å; M88-F114 HydrophobicContact CB-CZ 3.65Å; M88-F114 HydrophobicContact CG-CD1 4.39Å; M88-F114 HydrophobicContact CG-CD2 4.46Å; M88-F114 HydrophobicContact CG-CE1 3.75Å; M88-F114 HydrophobicContact CG-CE2 3.85Å; M88-F114 HydrophobicContact CG-CZ 3.45Å; M88-F114 VanDerWaalsContact CG-CZ 3.45Å; V89-F114 HydrophobicContact CG2-CE1 3.72Å; V89-F114 HydrophobicContact CG2-CZ 3.7Å; D110-F114 VanDerWaalsContact O-CB 3.25Å; D110-F114 WeakPolarHBondContact O-CB 3.44Å; D110-F114 PolarHBondContact O-N 2.97Å; A111-F114 WeakPolarHBondContact O-CB 3.48Å; A111-F114 PolarHBondContact O-N 3.19Å; F114-A116 VanDerWaalsContact C-N 3.32Å; F114-A116 PolarHBondContact O-N 2.92Å; F114-L117 PolarHBondContact O-N 2.9Å; F114-V118 HydrophobicContact CD2-CG2 3.92Å; F114-V118 HydrophobicContact CE1-CG2 4.3Å; F114-V118 HydrophobicContact CE2-CG2 3.47Å; F114-V118 VanDerWaalsContact CE2-CG2 3.47Å; F114-V118 HydrophobicContact CG-CG2 4.48Å; F114-V118 HydrophobicContact CZ-CG2 3.69Å; F114-V118 VanDerWaalsContact O-CG2 3.3Å; F114-V118 WeakPolarHBondContact O-CG2 3.37Å; F114-V118 PolarHBondContact O-N 3.04Å; F114-L130 HydrophobicContact CD2-CD1 3.58Å; F114-L130 HydrophobicContact CE2-CD1 3.84Å; F114-M134 HydrophobicContact CD2-CG 3.67Å; F114-M134 HydrophobicContact CE2-CE 4.43Å; F114-M134 HydrophobicContact CE2-CG 3.47Å; F114-M134 VanDerWaalsContact CE2-CG 3.47Å; F114-M134 HydrophobicContact CE2-SD 3.9Å; F114-L137 HydrophobicContact CB-CD1 3.74Å; F114-L137 HydrophobicContact CD1-CD1 4.34Å; F114-L137 HydrophobicContact CG-CD1 3.96Å
115F97.9Very high95.2Very high71 Ų7173.6 Ų73.631%0.31139%0.387SS..Hα-helixtrans-63.3-35.9177.7-75.9-62.7000113.3V89 I92 R93 A111 R112 R113 A119V89-F115 HydrophobicContact CG1-CE1 4.15Å; V89-F115 HydrophobicContact CG2-CE1 4.17Å; I92-F115 HydrophobicContact CB-CE2 4.34Å; I92-F115 HydrophobicContact CB-CZ 4.17Å; I92-F115 HydrophobicContact CG2-CE2 3.57Å; I92-F115 HydrophobicContact CG2-CZ 3.87Å; R93-F115 HydrophobicContact CG-CZ 4.12Å; A111-F115 WeakPolarHBondContact O-CD2 3.35Å; A111-F115 PolarHBondContact O-N 3.15Å; A111-F115 VanDerWaalsContact O-N 3.11Å; R112-F115 PolarHBondContact O-N 3.28Å; R113-F115 PolarHBondContact O-N 3.48Å; F115-A119 WeakPolarHBondContact O-CB 3.42Å; F115-A119 PolarHBondContact O-N 2.69Å; F115-A119 VanDerWaalsContact O-N 3.08Å
116A97.4Very high95.2Very high60 Ų6068.9 Ų68.950%0.49636%0.356SS..Hα-helixtrans-65.5-41.1175.100000112.5R112 R113 F114 A119 T120R112-A116 PolarHBondContact O-N 3.47Å; R112-A116 VanDerWaalsContact O-N 3.12Å; R113-A116 PolarHBondContact O-N 2.76Å; F114-A116 VanDerWaalsContact C-N 3.32Å; F114-A116 PolarHBondContact O-N 2.92Å; A116-A119 PolarHBondContact O-N 3.28Å; A116-T120 PolarHBondContact O-OG1 2.78Å
117L96.7Very high95.2Very high31 Ų3165.7 Ų65.716%0.16235%0.346CS..Hα-helixtrans-67.3-43.8175.4-71171.5000111.5R113 F114 A119 T120 V121 E129 L130R113-L117 HydrophobicContact CG-CD1 3.97Å; R113-L117 HydrophobicContact CG-CG 4.3Å; R113-L117 WeakPolarHBondContact O-CG 3.26Å; R113-L117 PolarHBondContact O-N 2.83Å; F114-L117 PolarHBondContact O-N 2.9Å; L117-A119 PolarHBondContact O-N 2.83Å; L117-T120 PolarHBondContact O-N 2.82Å; L117-T120 PolarHBondContact O-OG1 3.25Å; L117-T120 VanDerWaalsContact O-OG1 3.06Å; L117-V121 WeakPolarHBondContact O-CB 3.11Å; L117-V121 PolarHBondContact O-N 2.88Å; L117-E129 HydrophobicContact CD1-CG 4.08Å; L117-L130 HydrophobicContact CB-CD1 3.88Å; L117-L130 HydrophobicContact CD1-CB 4.44Å; L117-L130 HydrophobicContact CD1-CD1 4.33Å
118V96.3Very high95.1Very high33 Ų3368.5 Ų68.520%0.236%0.363CS..Hα-helixtrans-61.3-32176.8171.60000112I85 V89 F114 T120 L130I85-V118 HydrophobicContact CG2-CB 4.42Å; I85-V118 HydrophobicContact CG2-CG1 3.89Å; I85-V118 HydrophobicContact CG2-CG2 3.62Å; V89-V118 HydrophobicContact CG2-CG1 4.37Å; F114-V118 HydrophobicContact CD2-CG2 3.92Å; F114-V118 HydrophobicContact CE1-CG2 4.3Å; F114-V118 HydrophobicContact CE2-CG2 3.47Å; F114-V118 VanDerWaalsContact CE2-CG2 3.47Å; F114-V118 HydrophobicContact CG-CG2 4.48Å; F114-V118 HydrophobicContact CZ-CG2 3.69Å; F114-V118 VanDerWaalsContact O-CG2 3.3Å; F114-V118 WeakPolarHBondContact O-CG2 3.37Å; F114-V118 PolarHBondContact O-N 3.04Å; V118-T120 PolarHBondContact O-N 3.07Å; V118-L130 HydrophobicContact CG2-CD1 4.02Å; V118-L130 HydrophobicContact CG2-CD2 4.47Å
119A95.2Very high95.1Very high85 Ų8571.6 Ų71.670%0.70237%0.372SS*.THydrogen-bonded Turntrans-73.3-14.6176.700000114.1F115 A116 L117F115-A119 WeakPolarHBondContact O-CB 3.42Å; F115-A119 PolarHBondContact O-N 2.69Å; F115-A119 VanDerWaalsContact O-N 3.08Å; A116-A119 PolarHBondContact O-N 3.28Å; L117-A119 PolarHBondContact O-N 2.83Å
120T94.4Very high95.1Very high110 Ų11067.4 Ų67.468%0.67535%0.35SS*.THydrogen-bonded Turntrans-118.1-18.7-174.752.70000113.8A116 L117 V118A116-T120 PolarHBondContact O-OG1 2.78Å; L117-T120 PolarHBondContact O-N 2.82Å; L117-T120 PolarHBondContact O-OG1 3.25Å; L117-T120 VanDerWaalsContact O-OG1 3.06Å; V118-T120 PolarHBondContact O-N 3.07Å
121V94.1Very high95.1Very high36 Ų3666.8 Ų66.822%0.21835%0.347CS..SBendtrans-66.2137.5177.971.50000110.8I85 L117 E125 P127 L130I85-V121 HydrophobicContact CD1-CG1 4.47Å; L117-V121 WeakPolarHBondContact O-CB 3.11Å; L117-V121 PolarHBondContact O-N 2.88Å; V121-E125 HydrophobicContact CG2-CB 4.26Å; V121-P127 VanDerWaalsContact CG2-CD 3.42Å; V121-P127 HydrophobicContact CG2-CG 3.73Å; V121-L130 HydrophobicContact CB-CD2 4.33Å; V121-L130 HydrophobicContact CG1-CD2 4.17Å; V121-L130 HydrophobicContact CG2-CD2 4.26Å
122E92Very high95.1Very high155 Ų15569 Ų6972%0.72436%0.362SS*.PPolyproline II helixtrans-61.6142171.6-66.9-178.1176.300110.5G124 E125E122-G124 PolarHBondContact O-N 2.69Å; E122-E125 PolarHBondContact O-N 3.27Å; E122-E125 VanDerWaalsContact O-N 3.16Å
123E85.7Confident95.1Very high185 Ų18561.1 Ų61.186%0.86433%0.333SS*.THydrogen-bonded Turntrans-60.3124.4-178.7-174.1172.6-169.800110.5
124G85.7Confident95.2Very high4 Ų455.6 Ų55.64%0.04131%0.312CS..THydrogen-bonded Turntrans90.64.5178.600000115.8P78 C81 E122P78-G124 VanDerWaalsContact CA-CA 3.42Å; P78-G124 WeakPolarHBondContact CA-O 3.43Å; C81-G124 WeakPolarHBondContact CB-O 3.38Å; C81-G124 PolarHBondContact SG-O 2.84Å; E122-G124 PolarHBondContact O-N 2.69Å
125E93.1Very high95.2Very high76 Ų7658.8 Ų58.836%0.35533%0.326SS..  trans-104.6152173.2-72-61.7147.900112.3K77 V121 E122K77-E125 IonicContact NZ-OE1 3.49Å; K77-E125 PolarHBondContact NZ-OE1 2.91Å; K77-E125 IonicContact NZ-OE2 3.08Å; K77-E125 PolarHBondContact NZ-OE2 3.28Å; V121-E125 HydrophobicContact CG2-CB 4.26Å; E122-E125 PolarHBondContact O-N 3.27Å; E122-E125 VanDerWaalsContact O-N 3.16Å
126L96.1Very high95.2Very high9 Ų959.2 Ų59.25%0.04733%0.325CS..  trans-13281.4174.3-174.864.8000109.8C81 I85 L130 M134 L166 L169 T170C81-L126 HydrophobicContact CB-CB 4.16Å; I85-L126 HydrophobicContact CD1-CD1 4.15Å; I85-L126 HydrophobicContact CG1-CD1 3.97Å; L126-L130 HydrophobicContact CD1-CD2 4.01Å; L126-L130 HydrophobicContact CD1-CG 4Å; L126-M134 HydrophobicContact CD1-SD 3.74Å; L126-L166 HydrophobicContact CD2-CD2 4.18Å; L126-L169 HydrophobicContact CD2-CB 3.79Å; L126-T170 HydrophobicContact CD2-CG2 4.03Å; L126-T170 HydrophobicContact CG-CG2 4.01Å
127P95.4Very high95.3Very high60 Ų6056.3 Ų56.339%0.3930%0.302SS..  trans-59.4149.6178.7-24.134000112.3V121 E129 L130 G131V121-P127 VanDerWaalsContact CG2-CD 3.42Å; V121-P127 HydrophobicContact CG2-CG 3.73Å; P127-E129 PolarHBondContact O-N 2.96Å; P127-L130 WeakPolarHBondContact O-CB 3.31Å; P127-L130 PolarHBondContact O-N 3.35Å; P127-G131 PolarHBondContact O-N 3.42Å
128I96Very high95.3Very high101 Ų10155.5 Ų55.552%0.51830%0.296SS..Hα-helixtrans-54.6-39.1180-64.4170000111.7G131 S132 T170I128-G131 PolarHBondContact O-N 3.46Å; I128-S132 VanDerWaalsContact O-CB 3.29Å; I128-S132 WeakPolarHBondContact O-CB 3.22Å; I128-S132 PolarHBondContact O-N 3.29Å; I128-S132 PolarHBondContact O-OG 3.33Å; I128-T170 WeakPolarHBondContact CG1-O 3.31Å
129E95.7Very high95.4Very high94 Ų9460.4 Ų60.444%0.43932%0.317SS..Hα-helixtrans-61.7-46.9177.3-174-175.4165.800111.8R113 L117 P127 S132 C133R113-E129 IonicContact CZ-OE1 3.38Å; R113-E129 VanDerWaalsContact CZ-OE1 3.27Å; R113-E129 IonicContact NE-OE1 3.05Å; R113-E129 PolarHBondContact NE-OE1 3.26Å; R113-E129 VanDerWaalsContact NE-OE1 3.12Å; R113-E129 IonicContact NH2-OE1 2.71Å; R113-E129 PolarHBondContact NH2-OE1 3.14Å; L117-E129 HydrophobicContact CD1-CG 4.08Å; P127-E129 PolarHBondContact O-N 2.96Å; E129-S132 PolarHBondContact O-N 2.84Å; E129-C133 WeakPolarHBondContact O-CB 3.35Å; E129-C133 PolarHBondContact O-N 2.87Å
130L97.2Very high95.6Very high2 Ų256.9 Ų56.91%0.0129%0.286CS..Hα-helixtrans-63.7-48.1178.2177.456.1000110.6I85 F114 L117 V118 V121 L126 P127 S132 C133 M134I85-L130 HydrophobicContact CD1-CD2 3.78Å; I85-L130 HydrophobicContact CG1-CD2 4.14Å; F114-L130 HydrophobicContact CD2-CD1 3.58Å; F114-L130 HydrophobicContact CE2-CD1 3.84Å; L117-L130 HydrophobicContact CB-CD1 3.88Å; L117-L130 HydrophobicContact CD1-CB 4.44Å; L117-L130 HydrophobicContact CD1-CD1 4.33Å; V118-L130 HydrophobicContact CG2-CD1 4.02Å; V118-L130 HydrophobicContact CG2-CD2 4.47Å; V121-L130 HydrophobicContact CB-CD2 4.33Å; V121-L130 HydrophobicContact CG1-CD2 4.17Å; V121-L130 HydrophobicContact CG2-CD2 4.26Å; L126-L130 HydrophobicContact CD1-CD2 4.01Å; L126-L130 HydrophobicContact CD1-CG 4Å; P127-L130 WeakPolarHBondContact O-CB 3.31Å; P127-L130 PolarHBondContact O-N 3.35Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.8Å; L130-C133 WeakPolarHBondContact O-CB 3.49Å; L130-C133 PolarHBondContact O-N 3.47Å; L130-M134 HydrophobicContact CD1-CG 4.23Å; L130-M134 HydrophobicContact CD1-SD 4.13Å; L130-M134 HydrophobicContact CG-SD 3.93Å; L130-M134 VanDerWaalsContact O-CG 3.3Å; L130-M134 WeakPolarHBondContact O-CG 3.33Å; L130-M134 PolarHBondContact O-N 3.4Å
131G97.7Very high95.8Very high2 Ų255.5 Ų55.52%0.02128%0.281CS..Hα-helixtrans-64.2-35.4178.100000113.6P127 I128 C133 M134 K135P127-G131 PolarHBondContact O-N 3.42Å; I128-G131 PolarHBondContact O-N 3.46Å; G131-C133 VanDerWaalsContact C-N 3.35Å; G131-M134 PolarHBondContact O-N 3.06Å; G131-K135 WeakPolarHBondContact O-CB 3.41Å; G131-K135 PolarHBondContact O-N 3.27Å
132S97.5Very high96Very high53 Ų5353.9 Ų53.937%0.37127%0.272SS..Hα-helixtrans-64.6-39.6173.5-61.40000112.1I128 E129 L130 K135 R136I128-S132 VanDerWaalsContact O-CB 3.29Å; I128-S132 WeakPolarHBondContact O-CB 3.22Å; I128-S132 PolarHBondContact O-N 3.29Å; I128-S132 PolarHBondContact O-OG 3.33Å; E129-S132 PolarHBondContact O-N 2.84Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.8Å; S132-K135 PolarHBondContact O-N 2.94Å; S132-R136 PolarHBondContact O-N 3.08Å; S132-R136 PolarHBondContact O-NH1 3.05Å
133C97.8Very high96.3Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-65.7-47.7175.2-1730000111.2D110 E129 L130 G131 K135 R136 L137D110-C133 PolarHBondContact O-SG 3.46Å; E129-C133 WeakPolarHBondContact O-CB 3.35Å; E129-C133 PolarHBondContact O-N 2.87Å; L130-C133 WeakPolarHBondContact O-CB 3.49Å; L130-C133 PolarHBondContact O-N 3.47Å; G131-C133 VanDerWaalsContact C-N 3.35Å; C133-K135 VanDerWaalsContact C-N 3.28Å; C133-K135 PolarHBondContact O-N 3.27Å; C133-R136 PolarHBondContact O-N 2.89Å; C133-L137 WeakPolarHBondContact O-CG 3.22Å; C133-L137 PolarHBondContact O-N 3.13Å; C133-L137 VanDerWaalsContact O-N 3.08Å
134M98.6Very high96.9Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-58.9-38.2174.7-67.8170.671.900112.1T84 I85 M88 F114 L126 L130 G131 L137 W138 L163 L166T84-M134 HydrophobicContact CG2-CE 3.86Å; T84-M134 WeakPolarHBondContact O-CE 3.42Å; I85-M134 HydrophobicContact CG1-CE 4.33Å; I85-M134 HydrophobicContact CG1-SD 4.23Å; M88-M134 HydrophobicContact CB-CE 3.73Å; M88-M134 HydrophobicContact CE-CB 4.34Å; M88-M134 WeakPolarHBondContact CE-O 3.39Å; M88-M134 HydrophobicContact CG-CE 4.39Å; M88-M134 HydrophobicContact CG-CG 4.26Å; F114-M134 HydrophobicContact CD2-CG 3.67Å; F114-M134 HydrophobicContact CE2-CE 4.43Å; F114-M134 HydrophobicContact CE2-CG 3.47Å; F114-M134 VanDerWaalsContact CE2-CG 3.47Å; F114-M134 HydrophobicContact CE2-SD 3.9Å; L126-M134 HydrophobicContact CD1-SD 3.74Å; L130-M134 HydrophobicContact CD1-CG 4.23Å; L130-M134 HydrophobicContact CD1-SD 4.13Å; L130-M134 HydrophobicContact CG-SD 3.93Å; L130-M134 VanDerWaalsContact O-CG 3.3Å; L130-M134 WeakPolarHBondContact O-CG 3.33Å; L130-M134 PolarHBondContact O-N 3.4Å; G131-M134 PolarHBondContact O-N 3.06Å; M134-L137 PolarHBondContact O-N 3.06Å; M134-W138 VanDerWaalsContact O-CB 3.3Å; M134-W138 WeakPolarHBondContact O-CB 3.32Å; M134-W138 PolarHBondContact O-N 3.45Å; M134-L163 HydrophobicContact CE-CD2 3.93Å; M134-L166 HydrophobicContact CB-CD1 3.84Å; M134-L166 HydrophobicContact CB-CD2 4.25Å; M134-L166 HydrophobicContact CE-CD2 4.15Å; M134-L166 HydrophobicContact SD-CD2 4.4Å
135K98.3Very high97.5Very high67 Ų6745.5 Ų45.529%0.29123%0.232SC..Hα-helixtrans-64.2-45.4178.8-172.3179.6-173176.10111.9G131 S132 C133 L137 W138 Q139 L166 D167G131-K135 WeakPolarHBondContact O-CB 3.41Å; G131-K135 PolarHBondContact O-N 3.27Å; S132-K135 PolarHBondContact O-N 2.94Å; C133-K135 VanDerWaalsContact C-N 3.28Å; C133-K135 PolarHBondContact O-N 3.27Å; K135-L137 VanDerWaalsContact C-N 3.33Å; K135-L137 PolarHBondContact O-N 3.44Å; K135-W138 PolarHBondContact O-N 3.5Å; K135-Q139 VanDerWaalsContact O-CG 3.3Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 2.98Å; K135-L166 HydrophobicContact CB-CD1 3.91Å; K135-D167 IonicContact NZ-OD1 3.98Å; K135-D167 PolarHBondContact NZ-OD1 3.18Å; K135-D167 IonicContact NZ-OD2 2.69Å; K135-D167 PolarHBondContact NZ-OD2 3.18Å
136R98.2Very high97.8Very high80 Ų8041.9 Ų41.930%0.30222%0.215SC..Hα-helixtrans-61.8-41.6175.7-71.9-167.5-60.1-802.5112R107 D110 S132 C133 D140R107-R136 WeakPolarHBondContact CD-O 3.34Å; D110-R136 IonicContact OD1-CZ 3.88Å; D110-R136 IonicContact OD1-NE 3.71Å; D110-R136 PolarHBondContact OD1-NE 3.07Å; D110-R136 IonicContact OD1-NH2 2.65Å; D110-R136 PolarHBondContact OD1-NH2 3.37Å; D110-R136 IonicContact OD2-CZ 3.82Å; D110-R136 IonicContact OD2-NE 2.72Å; D110-R136 PolarHBondContact OD2-NE 3.3Å; S132-R136 PolarHBondContact O-N 3.08Å; S132-R136 PolarHBondContact O-NH1 3.05Å; C133-R136 PolarHBondContact O-N 2.89Å; R136-D140 PolarHBondContact O-N 3.22Å
137L98.6Very high97.9Very high0 Ų042.8 Ų42.80%022%0.218CC..Hα-helixtrans-63.6-49174.8-70.6170.1000110.8M88 I92 F102 R107 D110 A111 F114 C133 M134 K135 Q139 D140 V143M88-L137 HydrophobicContact CE-CB 4.2Å; M88-L137 HydrophobicContact SD-CB 4.16Å; I92-L137 HydrophobicContact CD1-CB 4.48Å; I92-L137 HydrophobicContact CD1-CD1 4.41Å; I92-L137 HydrophobicContact CD1-CD2 4.26Å; F102-L137 HydrophobicContact CE1-CD2 3.95Å; F102-L137 HydrophobicContact CZ-CD2 4.47Å; R107-L137 HydrophobicContact CB-CD2 4.21Å; D110-L137 HydrophobicContact CB-CD2 3.91Å; D110-L137 HydrophobicContact CB-CG 4.15Å; A111-L137 HydrophobicContact CB-CD2 4.16Å; F114-L137 HydrophobicContact CB-CD1 3.74Å; F114-L137 HydrophobicContact CD1-CD1 4.34Å; F114-L137 HydrophobicContact CG-CD1 3.96Å; C133-L137 WeakPolarHBondContact O-CG 3.22Å; C133-L137 PolarHBondContact O-N 3.13Å; C133-L137 VanDerWaalsContact O-N 3.08Å; M134-L137 PolarHBondContact O-N 3.06Å; K135-L137 VanDerWaalsContact C-N 3.33Å; K135-L137 PolarHBondContact O-N 3.44Å; L137-Q139 PolarHBondContact O-N 3.44Å; L137-D140 VanDerWaalsContact O-CB 3.23Å; L137-D140 WeakPolarHBondContact O-CB 3.43Å; L137-D140 PolarHBondContact O-N 3.31Å; L137-V143 WeakPolarHBondContact O-CB 3.4Å; L137-V143 WeakPolarHBondContact O-CG1 3.38Å; L137-V143 WeakPolarHBondContact O-CG2 3.4Å
138W98.6Very high97.9Very high13 Ų1344.7 Ų44.75%0.04922%0.223CC..Hα-helixtrans-60.4-32.5-178.5-172.3-124.9000113.1M88 M134 K135 D140 V143 Q144 F147 P160 L163 N164M88-W138 HydrophobicContact CE-CB 3.76Å; M88-W138 HydrophobicContact CE-CE3 4.22Å; M88-W138 HydrophobicContact CE-CG 4.48Å; M134-W138 VanDerWaalsContact O-CB 3.3Å; M134-W138 WeakPolarHBondContact O-CB 3.32Å; M134-W138 PolarHBondContact O-N 3.45Å; K135-W138 PolarHBondContact O-N 3.5Å; W138-D140 VanDerWaalsContact C-N 3.3Å; W138-D140 PolarHBondContact O-N 3.02Å; W138-V143 HydrophobicContact CE3-CG1 3.9Å; W138-V143 HydrophobicContact CZ3-CG1 4.36Å; W138-Q144 VanDerWaalsContact CD2-NE2 3.31Å; W138-Q144 VanDerWaalsContact CE2-NE2 3.29Å; W138-Q144 PolarHBondContact O-NE2 2.86Å; W138-F147 HydrophobicContact CH2-CB 3.93Å; W138-F147 AromaticContact CH2-CD1 3.77Å; W138-F147 HydrophobicContact CH2-CD1 3.77Å; W138-F147 AromaticContact CH2-CD2 3.69Å; W138-F147 HydrophobicContact CH2-CD2 3.69Å; W138-F147 HydrophobicContact CH2-CE1 4.21Å; W138-F147 HydrophobicContact CH2-CE2 4.14Å; W138-F147 AromaticContact CH2-CG 3.49Å; W138-F147 HydrophobicContact CH2-CG 3.49Å; W138-F147 VanDerWaalsContact CH2-CG 3.49Å; W138-F147 HydrophobicContact CH2-CZ 4.38Å; W138-F147 HydrophobicContact CZ2-CD1 4.46Å; W138-F147 HydrophobicContact CZ3-CB 3.94Å; W138-F147 HydrophobicContact CZ3-CD2 4.22Å; W138-F147 AromaticContact CZ3-CG 4Å; W138-F147 HydrophobicContact CZ3-CG 4Å; W138-P160 HydrophobicContact CZ2-CB 4.42Å; W138-L163 HydrophobicContact CD2-CB 3.68Å; W138-L163 HydrophobicContact CD2-CD1 3.81Å; W138-L163 HydrophobicContact CD2-CG 4.33Å; W138-L163 HydrophobicContact CE3-CB 4.3Å; W138-L163 HydrophobicContact CE3-CD1 3.51Å; W138-L163 HydrophobicContact CE3-CG 4.48Å; W138-L163 HydrophobicContact CG-CB 3.85Å; W138-L163 HydrophobicContact CH2-CD1 3.94Å; W138-L163 HydrophobicContact CZ2-CB 4.12Å; W138-L163 HydrophobicContact CZ2-CD1 4.23Å; W138-L163 HydrophobicContact CZ3-CD1 3.58Å; W138-N164 PolarHBondContact NE1-OD1 3.48Å
139Q98.3Very high97.9Very high136 Ų13643.5 Ų43.564%0.63621%0.212SC*.THydrogen-bonded Turntrans-78.6-8.9177.3-70.3175.1-23.200114.2K135 L137K135-Q139 VanDerWaalsContact O-CG 3.3Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 2.98Å; L137-Q139 PolarHBondContact O-N 3.44Å
140D98.7Very high97.9Very high11 Ų1140.3 Ų40.36%0.05920%0.2CC..SBendtrans-70.1138.5178.7-179.481.7000111.6G103 D104 R107 R136 L137 W138 G142 V143 Q144G103-D140 WeakPolarHBondContact CA-OD1 3Å; G103-D140 VanDerWaalsContact N-CG 3.33Å; G103-D140 PolarHBondContact N-OD1 3.11Å; G103-D140 PolarHBondContact N-OD2 2.71Å; D104-D140 PolarHBondContact N-OD1 2.59Å; R107-D140 HydrophobicContact CG-CB 4.02Å; R107-D140 WeakPolarHBondContact CG-OD1 3.34Å; R136-D140 PolarHBondContact O-N 3.22Å; L137-D140 VanDerWaalsContact O-CB 3.23Å; L137-D140 WeakPolarHBondContact O-CB 3.43Å; L137-D140 PolarHBondContact O-N 3.31Å; W138-D140 VanDerWaalsContact C-N 3.3Å; W138-D140 PolarHBondContact O-N 3.02Å; D140-G142 VanDerWaalsContact C-N 3.34Å; D140-G142 PolarHBondContact O-N 2.79Å; D140-G142 VanDerWaalsContact OD2-CA 3.3Å; D140-G142 WeakPolarHBondContact OD2-CA 3.4Å; D140-G142 PolarHBondContact OD2-N 3.03Å; D140-V143 HydrophobicContact CB-CB 4.11Å; D140-V143 HydrophobicContact CB-CG2 3.91Å; D140-V143 PolarHBondContact O-N 3.09Å; D140-V143 PolarHBondContact OD2-N 2.95Å; D140-V143 VanDerWaalsContact OD2-N 3.12Å; D140-Q144 WeakPolarHBondContact O-CG 3.49Å; D140-Q144 PolarHBondContact O-N 2.8Å
141S98.5Very high97.7Very high82 Ų8240.8 Ų40.857%0.57321%0.206SC*.Hα-helixtrans-66.9-32.7-177.461.80000113.3G103 Q144 E145G103-S141 VanDerWaalsContact CA-OG 3.29Å; G103-S141 WeakPolarHBondContact CA-OG 3.27Å; S141-Q144 PolarHBondContact O-N 3.25Å; S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 3.46Å
142G98.6Very high97.5Very high2 Ų245.1 Ų45.12%0.02123%0.225CC..Hα-helixtrans-71.3-36.3175.500000112.2I100 P101 D140 E145 C146I100-G142 WeakPolarHBondContact CG2-O 3.19Å; P101-G142 WeakPolarHBondContact O-CA 3.27Å; D140-G142 VanDerWaalsContact C-N 3.34Å; D140-G142 PolarHBondContact O-N 2.79Å; D140-G142 VanDerWaalsContact OD2-CA 3.3Å; D140-G142 WeakPolarHBondContact OD2-CA 3.4Å; D140-G142 PolarHBondContact OD2-N 3.03Å; G142-E145 PolarHBondContact O-N 3.46Å; G142-C146 WeakPolarHBondContact O-CB 3.39Å; G142-C146 PolarHBondContact O-N 3.25Å
143V98.7Very high97.5Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-64-44.4171174.80000110.7V91 I92 M95 F102 L137 W138 D140 C146 F147V91-V143 HydrophobicContact CG1-CG1 3.85Å; I92-V143 HydrophobicContact CD1-CG2 3.84Å; M95-V143 HydrophobicContact CE-CG2 4.09Å; M95-V143 HydrophobicContact SD-CB 4.28Å; M95-V143 HydrophobicContact SD-CG2 3.51Å; M95-V143 VanDerWaalsContact SD-CG2 3.51Å; F102-V143 HydrophobicContact CD1-CG2 4Å; F102-V143 HydrophobicContact CE1-CG2 3.8Å; L137-V143 WeakPolarHBondContact O-CB 3.4Å; L137-V143 WeakPolarHBondContact O-CG1 3.38Å; L137-V143 WeakPolarHBondContact O-CG2 3.4Å; W138-V143 HydrophobicContact CE3-CG1 3.9Å; W138-V143 HydrophobicContact CZ3-CG1 4.36Å; D140-V143 HydrophobicContact CB-CB 4.11Å; D140-V143 HydrophobicContact CB-CG2 3.91Å; D140-V143 PolarHBondContact O-N 3.09Å; D140-V143 PolarHBondContact OD2-N 2.95Å; D140-V143 VanDerWaalsContact OD2-N 3.12Å; V143-C146 PolarHBondContact O-N 3.45Å; V143-F147 PolarHBondContact O-N 3.42Å
144Q98.5Very high97.5Very high64 Ų6447.6 Ų47.630%0.29923%0.23SC..Hα-helixtrans-64-40.5175.3-71.2-61.3-52.500112.3W138 D140 S141 C146 F147 M148W138-Q144 VanDerWaalsContact CD2-NE2 3.31Å; W138-Q144 VanDerWaalsContact CE2-NE2 3.29Å; W138-Q144 PolarHBondContact O-NE2 2.86Å; D140-Q144 WeakPolarHBondContact O-CG 3.49Å; D140-Q144 PolarHBondContact O-N 2.8Å; S141-Q144 PolarHBondContact O-N 3.25Å; Q144-C146 VanDerWaalsContact C-N 3.34Å; Q144-C146 PolarHBondContact O-N 3.03Å; Q144-F147 WeakPolarHBondContact O-CB 3.47Å; Q144-F147 PolarHBondContact O-N 3.36Å; Q144-M148 VanDerWaalsContact O-CG 3.29Å; Q144-M148 WeakPolarHBondContact O-CG 3.24Å; Q144-M148 PolarHBondContact O-N 3.08Å
145E98.1Very high97.4Very high104 Ų10448.2 Ų48.249%0.48623%0.233SC..Hα-helixtrans-59.1-44.7173-175.8-172157.200111.5I100 S141 G142 F147 M148 R149I100-E145 HydrophobicContact CG2-CB 4.3Å; I100-E145 HydrophobicContact CG2-CG 4.38Å; S141-E145 WeakPolarHBondContact O-CB 3.3Å; S141-E145 PolarHBondContact O-N 3.46Å; G142-E145 PolarHBondContact O-N 3.46Å; E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 PolarHBondContact O-N 3.43Å; E145-M148 WeakPolarHBondContact O-CB 3.27Å; E145-M148 PolarHBondContact O-N 3.12Å; E145-R149 PolarHBondContact O-N 2.96Å
146C98.5Very high97.2Very high0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-64.9-38.1176.5-172.40000112.4V91 M95 I100 G142 V143 Q144 M148 R149 Y153V91-C146 HydrophobicContact CG1-CB 4.27Å; M95-C146 HydrophobicContact CG-CB 3.49Å; M95-C146 VanDerWaalsContact CG-CB 3.49Å; M95-C146 VanDerWaalsContact CG-SG 3.56Å; M95-C146 PolarHBondContact N-SG 2.78Å; I100-C146 HydrophobicContact CD1-CB 3.66Å; G142-C146 WeakPolarHBondContact O-CB 3.39Å; G142-C146 PolarHBondContact O-N 3.25Å; V143-C146 PolarHBondContact O-N 3.45Å; Q144-C146 VanDerWaalsContact C-N 3.34Å; Q144-C146 PolarHBondContact O-N 3.03Å; C146-M148 VanDerWaalsContact C-N 3.34Å; C146-R149 CarbonylContact O-C 3.51Å; C146-R149 PolarHBondContact O-N 3.21Å; C146-R149 VanDerWaalsContact O-N 3.15Å; C146-Y153 WeakPolarHBondContact O-CE1 3.5Å; C146-Y153 PolarHBondContact O-OH 3.09Å
147F97.9Very high97.1Very high28 Ų2845.8 Ų45.812%0.12323%0.229CC..Hα-helixtrans-62.8-39.3173.6172.1-111.6000112.4W138 V143 Q144 E145 R149 S150 L155 P160W138-F147 HydrophobicContact CH2-CB 3.93Å; W138-F147 AromaticContact CH2-CD1 3.77Å; W138-F147 HydrophobicContact CH2-CD1 3.77Å; W138-F147 AromaticContact CH2-CD2 3.69Å; W138-F147 HydrophobicContact CH2-CD2 3.69Å; W138-F147 HydrophobicContact CH2-CE1 4.21Å; W138-F147 HydrophobicContact CH2-CE2 4.14Å; W138-F147 AromaticContact CH2-CG 3.49Å; W138-F147 HydrophobicContact CH2-CG 3.49Å; W138-F147 VanDerWaalsContact CH2-CG 3.49Å; W138-F147 HydrophobicContact CH2-CZ 4.38Å; W138-F147 HydrophobicContact CZ2-CD1 4.46Å; W138-F147 HydrophobicContact CZ3-CB 3.94Å; W138-F147 HydrophobicContact CZ3-CD2 4.22Å; W138-F147 AromaticContact CZ3-CG 4Å; W138-F147 HydrophobicContact CZ3-CG 4Å; V143-F147 PolarHBondContact O-N 3.42Å; Q144-F147 WeakPolarHBondContact O-CB 3.47Å; Q144-F147 PolarHBondContact O-N 3.36Å; E145-F147 VanDerWaalsContact C-N 3.34Å; E145-F147 PolarHBondContact O-N 3.43Å; F147-R149 PolarHBondContact O-N 3.09Å; F147-R149 VanDerWaalsContact O-N 3.12Å; F147-S150 WeakPolarHBondContact O-CB 3.35Å; F147-S150 PolarHBondContact O-N 3.01Å; F147-S150 PolarHBondContact O-OG 2.82Å; F147-L155 HydrophobicContact CD2-CD2 3.61Å; F147-L155 HydrophobicContact CE2-CD2 3.81Å; F147-P160 HydrophobicContact CE1-CB 4.45Å; F147-P160 HydrophobicContact CE2-CB 4.46Å; F147-P160 HydrophobicContact CE2-CG 4.28Å; F147-P160 HydrophobicContact CZ-CB 3.85Å; F147-P160 HydrophobicContact CZ-CG 3.82Å
148M95.7Very high97Very high100 Ų10046.4 Ų46.449%0.49323%0.234SC..Hα-helixtrans-62.4-18.7175.4-68.7-67.4-66.900113.2Q144 E145 C146 R287Q144-M148 VanDerWaalsContact O-CG 3.29Å; Q144-M148 WeakPolarHBondContact O-CG 3.24Å; Q144-M148 PolarHBondContact O-N 3.08Å; E145-M148 WeakPolarHBondContact O-CB 3.27Å; E145-M148 PolarHBondContact O-N 3.12Å; C146-M148 VanDerWaalsContact C-N 3.34Å; M148-R287 VanDerWaalsContact CE-NH1 3.33Å; M148-R287 PolarHBondContact SD-NH1 2.94Å
149R95.6Very high96.9Very high75 Ų7545.8 Ų45.828%0.28323%0.231SC..THydrogen-bonded Turntrans-10120.7175.1-66175.164.1-173.2-2.1112.7L98 E145 C146 F147 G151 E152 Y153L98-R149 HydrophobicContact CD1-CB 4.21Å; E145-R149 PolarHBondContact O-N 2.96Å; C146-R149 CarbonylContact O-C 3.51Å; C146-R149 PolarHBondContact O-N 3.21Å; C146-R149 VanDerWaalsContact O-N 3.15Å; F147-R149 PolarHBondContact O-N 3.09Å; F147-R149 VanDerWaalsContact O-N 3.12Å; R149-G151 PolarHBondContact O-N 3.07Å; R149-E152 WeakPolarHBondContact CB-OE1 3.45Å; R149-E152 WeakPolarHBondContact CG-OE1 3.45Å; R149-E152 IonicContact CZ-OE1 3.36Å; R149-E152 IonicContact CZ-OE2 3.12Å; R149-E152 IonicContact NE-OE1 2.65Å; R149-E152 PolarHBondContact NE-OE1 2.83Å; R149-E152 IonicContact NE-OE2 2.68Å; R149-E152 IonicContact NH2-OE1 2.64Å; R149-E152 PolarHBondContact NH2-OE1 2.84Å; R149-E152 IonicContact NH2-OE2 3.34Å; R149-E152 PolarHBondContact NH2-OE2 2.79Å; R149-E152 WeakPolarHBondContact O-CB 3.25Å; R149-E152 PolarHBondContact O-N 2.88Å; R149-Y153 WeakPolarHBondContact O-CE1 3.35Å
150S95.8Very high96.9Very high27 Ų2741 Ų4119%0.18921%0.212CC..G310 helixtrans-60.5-18.5-175.559.90000115.3F147 E152 Y153F147-S150 WeakPolarHBondContact O-CB 3.35Å; F147-S150 PolarHBondContact O-N 3.01Å; F147-S150 PolarHBondContact O-OG 2.82Å; S150-E152 PolarHBondContact O-N 3.19Å; S150-Y153 VanDerWaalsContact CA-CE1 3.5Å; S150-Y153 PolarHBondContact O-N 2.74Å
151G92.8Very high96.9Very high12 Ų1243.5 Ų43.512%0.12422%0.221CC..G310 helixtrans-73.3-5.817100000114.7R149R149-G151 PolarHBondContact O-N 3.07Å
152E95.2Very high96.9Very high93 Ų9339.6 Ų39.644%0.43519%0.194SC..G310 helixtrans-91.4-4.2174.9-62.6176.8-129.600113.2L98 R149 S150L98-E152 HydrophobicContact CD1-CB 4.48Å; L98-E152 HydrophobicContact CD2-CB 4.34Å; L98-E152 WeakPolarHBondContact CD2-OE2 3.26Å; R149-E152 WeakPolarHBondContact CB-OE1 3.45Å; R149-E152 WeakPolarHBondContact CG-OE1 3.45Å; R149-E152 IonicContact CZ-OE1 3.36Å; R149-E152 IonicContact CZ-OE2 3.12Å; R149-E152 IonicContact NE-OE1 2.65Å; R149-E152 PolarHBondContact NE-OE1 2.83Å; R149-E152 IonicContact NE-OE2 2.68Å; R149-E152 IonicContact NH2-OE1 2.64Å; R149-E152 PolarHBondContact NH2-OE1 2.84Å; R149-E152 IonicContact NH2-OE2 3.34Å; R149-E152 PolarHBondContact NH2-OE2 2.79Å; R149-E152 WeakPolarHBondContact O-CB 3.25Å; R149-E152 PolarHBondContact O-N 2.88Å; S150-E152 PolarHBondContact O-N 3.19Å
153Y97Very high96.9Very high30 Ų3039.7 Ų39.712%0.11819%0.194CC..SBendtrans-149.5175.1177.958.9-84.6000111.1V91 A94 L98 C146 R149 S150 L155V91-Y153 HydrophobicContact CG2-CE2 4.36Å; A94-Y153 HydrophobicContact CB-CD1 3.49Å; A94-Y153 VanDerWaalsContact CB-CD1 3.49Å; A94-Y153 HydrophobicContact CB-CD2 3.61Å; A94-Y153 HydrophobicContact CB-CE1 3.62Å; A94-Y153 HydrophobicContact CB-CE2 3.74Å; A94-Y153 HydrophobicContact CB-CG 3.49Å; A94-Y153 VanDerWaalsContact CB-CG 3.49Å; L98-Y153 HydrophobicContact CD1-CD1 4.12Å; L98-Y153 HydrophobicContact CD1-CE1 4.2Å; C146-Y153 WeakPolarHBondContact O-CE1 3.5Å; C146-Y153 PolarHBondContact O-OH 3.09Å; R149-Y153 WeakPolarHBondContact O-CE1 3.35Å; S150-Y153 VanDerWaalsContact CA-CE1 3.5Å; S150-Y153 PolarHBondContact O-N 2.74Å; Y153-L155 HydrophobicContact CD2-CB 4.16Å; Y153-L155 HydrophobicContact CE2-CB 3.82Å; Y153-L155 HydrophobicContact CE2-CD1 4.47Å; Y153-L155 HydrophobicContact CE2-CD2 4.18Å; Y153-L155 HydrophobicContact CE2-CG 4.38Å; Y153-L155 PolarHBondContact O-N 3.04Å
154Q96.8Very high96.9Very high75 Ų7545.3 Ų45.335%0.3522%0.224SC..  trans-86.6108.7-179.3-56.9-61-33.800109.9V240 A242Q154-V240 PolarHBondContact NE2-O 3.1Å; Q154-V240 VanDerWaalsContact NE2-O 3.12Å; Q154-A242 HydrophobicContact CG-CB 4.35Å
155L97.2Very high96.9Very high13 Ų1343 Ų437%0.06822%0.216CC..  trans-132.4135.9175.4-174.764000110.4A90 V91 F147 Y153 A159A90-L155 HydrophobicContact CB-CD1 4.03Å; V91-L155 HydrophobicContact CG2-CD1 3.87Å; V91-L155 HydrophobicContact CG2-CD2 3.98Å; F147-L155 HydrophobicContact CD2-CD2 3.61Å; F147-L155 HydrophobicContact CE2-CD2 3.81Å; Y153-L155 HydrophobicContact CD2-CB 4.16Å; Y153-L155 HydrophobicContact CE2-CB 3.82Å; Y153-L155 HydrophobicContact CE2-CD1 4.47Å; Y153-L155 HydrophobicContact CE2-CD2 4.18Å; Y153-L155 HydrophobicContact CE2-CG 4.38Å; Y153-L155 PolarHBondContact O-N 3.04Å; L155-A159 HydrophobicContact CD1-CB 3.81Å; L155-A159 HydrophobicContact CD2-CB 4.02Å; L155-A159 HydrophobicContact CG-CB 3.89Å
156N94.7Very high96.9Very high40 Ų4038.2 Ų38.221%0.21419%0.194CC..  trans-67.5134.1174.2-68.2-36.4000110.7S158 A159N156-S158 PolarHBondContact O-N 3.48Å; N156-A159 WeakPolarHBondContact O-CB 3.17Å; N156-A159 PolarHBondContact O-N 3.45Å
157D94.6Very high96.8Very high56 Ų5643 Ų4330%0.29922%0.219SC..THydrogen-bonded Turntrans-55.3-26.3175.4-66.4-31.6000113.8A159 P160 K277 L280D157-A159 PolarHBondContact O-N 2.95Å; D157-P160 WeakPolarHBondContact O-CD 3.33Å; D157-K277 WeakPolarHBondContact OD2-CD 3.36Å; D157-K277 VanDerWaalsContact OD2-CE 3.27Å; D157-K277 WeakPolarHBondContact OD2-CE 3.42Å; D157-K277 IonicContact OD2-NZ 2.94Å; D157-K277 PolarHBondContact OD2-NZ 2.92Å; D157-L280 HydrophobicContact CB-CD1 3.57Å
158S96.7Very high96.8Very high13 Ų1345.1 Ų45.19%0.09123%0.226CC..THydrogen-bonded Turntrans-76.1-6.4177.663.30000113.9N156 Y161 Y162 R183N156-S158 PolarHBondContact O-N 3.48Å; S158-Y161 WeakPolarHBondContact O-CB 3.37Å; S158-Y161 PolarHBondContact O-N 2.67Å; S158-Y162 VanDerWaalsContact O-CD2 3.3Å; S158-Y162 WeakPolarHBondContact O-CD2 3.48Å; S158-Y162 PolarHBondContact O-N 2.79Å; S158-Y162 VanDerWaalsContact O-N 3.13Å; S158-R183 VanDerWaalsContact CB-O 3.28Å; S158-R183 WeakPolarHBondContact CB-O 3.27Å; S158-R183 PolarHBondContact OG-O 3.36Å
159A98.2Very high96.9Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-51.3-56.8-179.500000113.1S87 L155 N156 D157 Y161 Y162 L163S87-A159 WeakPolarHBondContact OG-CB 3.36Å; L155-A159 HydrophobicContact CD1-CB 3.81Å; L155-A159 HydrophobicContact CD2-CB 4.02Å; L155-A159 HydrophobicContact CG-CB 3.89Å; N156-A159 WeakPolarHBondContact O-CB 3.17Å; N156-A159 PolarHBondContact O-N 3.45Å; D157-A159 PolarHBondContact O-N 2.95Å; A159-Y161 VanDerWaalsContact C-N 3.29Å; A159-Y161 PolarHBondContact O-N 2.88Å; A159-Y162 PolarHBondContact O-N 3.02Å; A159-L163 HydrophobicContact CB-CD1 4.36Å; A159-L163 VanDerWaalsContact O-CB 3.29Å; A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 3.09Å
160P97.7Very high97Very high36 Ų3637.9 Ų37.923%0.23420%0.196CC..Hα-helixtrans-60-37.7179.923.8-36.1000112.7W138 F147 D157 Y162 N164W138-P160 HydrophobicContact CZ2-CB 4.42Å; F147-P160 HydrophobicContact CE1-CB 4.45Å; F147-P160 HydrophobicContact CE2-CB 4.46Å; F147-P160 HydrophobicContact CE2-CG 4.28Å; F147-P160 HydrophobicContact CZ-CB 3.85Å; F147-P160 HydrophobicContact CZ-CG 3.82Å; D157-P160 WeakPolarHBondContact O-CD 3.33Å; P160-Y162 PolarHBondContact O-N 3.36Å; P160-N164 WeakPolarHBondContact O-CB 3.43Å; P160-N164 PolarHBondContact O-N 3.43Å; P160-N164 PolarHBondContact O-ND2 3.11Å
161Y98.3Very high97Very high63 Ų6341.4 Ų41.425%0.24721%0.212CC..Hα-helixtrans-59.4-49.5178.5172.7-95.6000112S158 A159 A165 R168 D179 D180 R183S158-Y161 WeakPolarHBondContact O-CB 3.37Å; S158-Y161 PolarHBondContact O-N 2.67Å; A159-Y161 VanDerWaalsContact C-N 3.29Å; A159-Y161 PolarHBondContact O-N 2.88Å; Y161-A165 WeakPolarHBondContact O-CB 3.12Å; Y161-A165 PolarHBondContact O-N 3.12Å; Y161-R168 PolarHBondContact OH-NH2 3.46Å; Y161-D179 WeakPolarHBondContact OH-CB 3.46Å; Y161-D180 VanDerWaalsContact CE1-OD1 3.27Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.39Å; Y161-D180 PolarHBondContact OH-OD1 3.23Å; Y161-R183 HydrophobicContact CD1-CB 4.29Å; Y161-R183 HydrophobicContact CD1-CG 4.43Å; Y161-R183 VanDerWaalsContact CD2-CD 3.48Å
162Y98.6Very high97Very high0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-76.8-39.6-178.3-66.5-55.7000113.2V80 N83 T84 S158 A159 P160 N164 A165 L166 L169 D180 R183 T184V80-Y162 HydrophobicContact CB-CE1 4.45Å; V80-Y162 HydrophobicContact CG1-CD1 3.89Å; V80-Y162 HydrophobicContact CG1-CE1 3.56Å; V80-Y162 HydrophobicContact CG2-CE1 4.32Å; N83-Y162 HydrophobicContact CB-CE2 4.35Å; T84-Y162 VanDerWaalsContact OG1-CB 3.31Å; T84-Y162 WeakPolarHBondContact OG1-CB 3.4Å; S158-Y162 VanDerWaalsContact O-CD2 3.3Å; S158-Y162 WeakPolarHBondContact O-CD2 3.48Å; S158-Y162 PolarHBondContact O-N 2.79Å; S158-Y162 VanDerWaalsContact O-N 3.13Å; A159-Y162 PolarHBondContact O-N 3.02Å; P160-Y162 PolarHBondContact O-N 3.36Å; Y162-N164 VanDerWaalsContact C-N 3.27Å; Y162-N164 PolarHBondContact O-N 2.94Å; Y162-A165 CarbonylContact O-C 3.52Å; Y162-A165 WeakPolarHBondContact O-CA 3.34Å; Y162-A165 PolarHBondContact O-N 3.13Å; Y162-L166 PolarHBondContact O-N 3.41Å; Y162-L169 HydrophobicContact CD1-CD1 3.96Å; Y162-L169 HydrophobicContact CG-CD1 4.4Å; Y162-L169 WeakPolarHBondContact O-CD1 3.35Å; Y162-D180 HydrophobicContact CE1-CB 4.31Å; Y162-D180 PolarHBondContact OH-O 3.49Å; Y162-R183 HydrophobicContact CE2-CB 4.35Å; Y162-R183 PolarHBondContact OH-O 3.17Å; Y162-T184 WeakPolarHBondContact OH-CG2 3.46Å; Y162-T184 PolarHBondContact OH-N 2.93Å; Y162-T184 VanDerWaalsContact OH-N 3.16Å
163L98.6Very high96.8Very high4 Ų448.6 Ų48.62%0.02126%0.257CS..Hα-helixtrans-67.5-29.7-179.4-65.9175.8000112.2T84 M88 M134 W138 A159 A165 L166T84-L163 HydrophobicContact CG2-CD2 4.06Å; M88-L163 HydrophobicContact CB-CD2 4.26Å; M88-L163 HydrophobicContact CE-CD1 4.23Å; M88-L163 HydrophobicContact CE-CD2 3.83Å; M134-L163 HydrophobicContact CE-CD2 3.93Å; W138-L163 HydrophobicContact CD2-CB 3.68Å; W138-L163 HydrophobicContact CD2-CD1 3.81Å; W138-L163 HydrophobicContact CD2-CG 4.33Å; W138-L163 HydrophobicContact CE3-CB 4.3Å; W138-L163 HydrophobicContact CE3-CD1 3.51Å; W138-L163 HydrophobicContact CE3-CG 4.48Å; W138-L163 HydrophobicContact CG-CB 3.85Å; W138-L163 HydrophobicContact CH2-CD1 3.94Å; W138-L163 HydrophobicContact CZ2-CB 4.12Å; W138-L163 HydrophobicContact CZ2-CD1 4.23Å; W138-L163 HydrophobicContact CZ3-CD1 3.58Å; A159-L163 HydrophobicContact CB-CD1 4.36Å; A159-L163 VanDerWaalsContact O-CB 3.29Å; A159-L163 WeakPolarHBondContact O-CB 3.38Å; A159-L163 WeakPolarHBondContact O-CG 3.3Å; A159-L163 PolarHBondContact O-N 3.09Å; L163-A165 VanDerWaalsContact C-N 3.28Å; L163-L166 WeakPolarHBondContact O-CD1 3.29Å; L163-L166 WeakPolarHBondContact O-CG 3.46Å
164N98.3Very high96.8Very high119 Ų11948 Ų4864%0.63625%0.254SS*.THydrogen-bonded Turntrans-76.2-13.9170-69.5-27000113.4W138 P160 Y162W138-N164 PolarHBondContact NE1-OD1 3.48Å; P160-N164 WeakPolarHBondContact O-CB 3.43Å; P160-N164 PolarHBondContact O-N 3.43Å; P160-N164 PolarHBondContact O-ND2 3.11Å; Y162-N164 VanDerWaalsContact C-N 3.27Å; Y162-N164 PolarHBondContact O-N 2.94Å
165A98.2Very high96.8Very high15 Ų1546.8 Ų46.812%0.12425%0.25CC..THydrogen-bonded Turntrans-104.810.7-177.200000113.9Y161 Y162 L163 D167 R168 L169Y161-A165 WeakPolarHBondContact O-CB 3.12Å; Y161-A165 PolarHBondContact O-N 3.12Å; Y162-A165 CarbonylContact O-C 3.52Å; Y162-A165 WeakPolarHBondContact O-CA 3.34Å; Y162-A165 PolarHBondContact O-N 3.13Å; L163-A165 VanDerWaalsContact C-N 3.28Å; A165-D167 PolarHBondContact O-N 3.31Å; A165-D167 VanDerWaalsContact O-N 3.1Å; A165-R168 WeakPolarHBondContact O-CA 3.48Å; A165-R168 WeakPolarHBondContact O-CB 3.36Å; A165-R168 PolarHBondContact O-N 3.33Å; A165-L169 HydrophobicContact CB-CD1 4.38Å; A165-L169 HydrophobicContact CB-CG 4.22Å; A165-L169 WeakPolarHBondContact O-CG 3.5Å; A165-L169 PolarHBondContact O-N 3.26Å
166L98.4Very high96.8Very high3 Ų346.2 Ų46.22%0.01625%0.247CC..Hα-helixtrans-51.8-37.8-174.2-73.7168000114.1T84 L126 M134 K135 Y162 L163 R168 L169 T170T84-L166 HydrophobicContact CG2-CD2 3.95Å; L126-L166 HydrophobicContact CD2-CD2 4.18Å; M134-L166 HydrophobicContact CB-CD1 3.84Å; M134-L166 HydrophobicContact CB-CD2 4.25Å; M134-L166 HydrophobicContact CE-CD2 4.15Å; M134-L166 HydrophobicContact SD-CD2 4.4Å; K135-L166 HydrophobicContact CB-CD1 3.91Å; Y162-L166 PolarHBondContact O-N 3.41Å; L163-L166 WeakPolarHBondContact O-CD1 3.29Å; L163-L166 WeakPolarHBondContact O-CG 3.46Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.33Å; L166-T170 WeakPolarHBondContact O-CB 3.39Å; L166-T170 WeakPolarHBondContact O-CG2 3.47Å; L166-T170 PolarHBondContact O-N 2.68Å; L166-T170 PolarHBondContact O-OG1 2.74Å
167D97.5Very high97Very high100 Ų10046.7 Ų46.754%0.53525%0.251SS..Hα-helixtrans-62.1-34.6177.4-67.2-26.6000112.5K135 A165 T170K135-D167 IonicContact NZ-OD1 3.98Å; K135-D167 PolarHBondContact NZ-OD1 3.18Å; K135-D167 IonicContact NZ-OD2 2.69Å; K135-D167 PolarHBondContact NZ-OD2 3.18Å; A165-D167 PolarHBondContact O-N 3.31Å; A165-D167 VanDerWaalsContact O-N 3.1Å; D167-T170 PolarHBondContact O-OG1 3.44Å
168R97.8Very high97.1Very high74 Ų7447.7 Ų47.728%0.27925%0.254SS..Hα-helixtrans-78.7-41.4176.6179.3176.961.484.1-2.7111.5Y161 A165 L166 T170 L171 D180Y161-R168 PolarHBondContact OH-NH2 3.46Å; A165-R168 WeakPolarHBondContact O-CA 3.48Å; A165-R168 WeakPolarHBondContact O-CB 3.36Å; A165-R168 PolarHBondContact O-N 3.33Å; L166-R168 VanDerWaalsContact C-N 3.26Å; L166-R168 PolarHBondContact O-N 2.95Å; R168-T170 VanDerWaalsContact C-N 3.28Å; R168-T170 PolarHBondContact O-N 2.81Å; R168-L171 PolarHBondContact O-N 3.5Å; R168-D180 IonicContact CZ-OD1 3.43Å; R168-D180 IonicContact CZ-OD2 3.53Å; R168-D180 IonicContact NH1-OD1 2.72Å; R168-D180 PolarHBondContact NH1-OD1 3.45Å; R168-D180 VanDerWaalsContact NH1-OD1 3.15Å; R168-D180 IonicContact NH1-OD2 3.51Å; R168-D180 PolarHBondContact NH1-OD2 3.38Å; R168-D180 IonicContact NH2-OD1 2.77Å; R168-D180 PolarHBondContact NH2-OD1 3.08Å; R168-D180 IonicContact NH2-OD2 3.41Å
169L97.8Very high97.1Very high3 Ų350.6 Ų50.62%0.01627%0.269CS..Hα-helixtrans-71.4-22.2-176-59.3-179.2000113.2V80 T84 L126 Y162 A165 L166 Y174V80-L169 HydrophobicContact CG1-CD1 4.39Å; V80-L169 HydrophobicContact CG1-CD2 3.93Å; T84-L169 HydrophobicContact CG2-CD1 4.13Å; L126-L169 HydrophobicContact CD2-CB 3.79Å; Y162-L169 HydrophobicContact CD1-CD1 3.96Å; Y162-L169 HydrophobicContact CG-CD1 4.4Å; Y162-L169 WeakPolarHBondContact O-CD1 3.35Å; A165-L169 HydrophobicContact CB-CD1 4.38Å; A165-L169 HydrophobicContact CB-CG 4.22Å; A165-L169 WeakPolarHBondContact O-CG 3.5Å; A165-L169 PolarHBondContact O-N 3.26Å; L166-L169 PolarHBondContact O-N 3.33Å; L169-Y174 HydrophobicContact CD2-CD1 4.42Å; L169-Y174 HydrophobicContact CD2-CD2 4.48Å; L169-Y174 HydrophobicContact CD2-CE1 3.68Å; L169-Y174 HydrophobicContact CD2-CE2 3.78Å; L169-Y174 VanDerWaalsContact CD2-OH 3.29Å; L169-Y174 WeakPolarHBondContact CD2-OH 3.48Å
170T97.1Very high97.1Very high20 Ų2050.6 Ų50.612%0.12327%0.269CS..THydrogen-bonded Turntrans-90.4-1.6179.851.80000113.9L126 I128 L166 D167 R168L126-T170 HydrophobicContact CD2-CG2 4.03Å; L126-T170 HydrophobicContact CG-CG2 4.01Å; I128-T170 WeakPolarHBondContact CG1-O 3.31Å; L166-T170 WeakPolarHBondContact O-CB 3.39Å; L166-T170 WeakPolarHBondContact O-CG2 3.47Å; L166-T170 PolarHBondContact O-N 2.68Å; L166-T170 PolarHBondContact O-OG1 2.74Å; D167-T170 PolarHBondContact O-OG1 3.44Å; R168-T170 VanDerWaalsContact C-N 3.28Å; R168-T170 PolarHBondContact O-N 2.81Å
171L96.2Very high97.1Very high100 Ų10048.9 Ų48.952%0.52426%0.257SS..SBendtrans-64.4136.1177.2-67174.6000110.4R168 N173 Y174R168-L171 PolarHBondContact O-N 3.5Å; L171-N173 PolarHBondContact O-N 2.92Å; L171-N173 VanDerWaalsContact O-N 3.13Å; L171-Y174 WeakPolarHBondContact O-CB 3.16Å; L171-Y174 PolarHBondContact O-N 3.22Å
172P91.4Very high97.1Very high106 Ų10646 Ų4669%0.68825%0.246SC*.THydrogen-bonded Turntrans-56.6-33.6-178.1-27.834.7000114.3
173N92.5Very high97.1Very high151 Ų15149 Ų4981%0.80726%0.258SS*.THydrogen-bonded Turntrans-103.325179.5-61.7-27.2000112.2L171 I175L171-N173 PolarHBondContact O-N 2.92Å; L171-N173 VanDerWaalsContact O-N 3.13Å; N173-I175 PolarHBondContact O-N 3.37Å
174Y96.2Very high97Very high17 Ų1749.2 Ų49.27%0.06726%0.259CS..  trans-59.1124.8178168.5-119.5000110.9K77 V80 L169 L171 P176 D180K77-Y174 HydrophobicContact CG-CD1 4.24Å; K77-Y174 HydrophobicContact CG-CE1 4.42Å; V80-Y174 HydrophobicContact CG1-CE1 4.23Å; L169-Y174 HydrophobicContact CD2-CD1 4.42Å; L169-Y174 HydrophobicContact CD2-CD2 4.48Å; L169-Y174 HydrophobicContact CD2-CE1 3.68Å; L169-Y174 HydrophobicContact CD2-CE2 3.78Å; L169-Y174 VanDerWaalsContact CD2-OH 3.29Å; L169-Y174 WeakPolarHBondContact CD2-OH 3.48Å; L171-Y174 WeakPolarHBondContact O-CB 3.16Å; L171-Y174 PolarHBondContact O-N 3.22Å; Y174-P176 HydrophobicContact CE1-CG 4.04Å; Y174-P176 WeakPolarHBondContact OH-CA 3.47Å; Y174-D180 PolarHBondContact OH-OD2 2.81Å
175I96.9Very high96.9Very high50 Ų5046.6 Ų46.626%0.25624%0.24SC..  trans-119126.3170.3-60.9172.4000107.1E70 R73 K74 N173 T177E70-I175 HydrophobicContact CG-CD1 3.95Å; E70-I175 HydrophobicContact CG-CG2 4.42Å; R73-I175 HydrophobicContact CB-CG2 3.78Å; K74-I175 HydrophobicContact CG-CD1 4.49Å; K74-I175 HydrophobicContact CG-CG1 4.17Å; K74-I175 HydrophobicContact CG-CG2 4.29Å; N173-I175 PolarHBondContact O-N 3.37Å; I175-T177 PolarHBondContact O-N 3.22Å
176P98.2Very high96.8Very high0 Ų050.1 Ų50.10%026%0.26CS..  trans-51.7138175.8-30.536.4000113.7R73 K77 V80 Y174 D180 I181R73-P176 WeakPolarHBondContact CB-O 3.46Å; R73-P176 VanDerWaalsContact CD-O 3.29Å; R73-P176 WeakPolarHBondContact CD-O 3.46Å; R73-P176 VanDerWaalsContact O-CD 3.27Å; R73-P176 WeakPolarHBondContact O-CD 3.48Å; R73-P176 VanDerWaalsContact O-CG 3.23Å; R73-P176 WeakPolarHBondContact O-CG 3.29Å; K77-P176 HydrophobicContact CB-CG 4.04Å; V80-P176 HydrophobicContact CG2-CB 4.41Å; V80-P176 HydrophobicContact CG2-CG 4.25Å; Y174-P176 HydrophobicContact CE1-CG 4.04Å; Y174-P176 WeakPolarHBondContact OH-CA 3.47Å; P176-D180 WeakPolarHBondContact CA-OD2 3.21Å; P176-D180 HydrophobicContact CB-CB 4Å; P176-I181 HydrophobicContact CB-CG1 4.36Å
177T97.4Very high96.6Very high50 Ų5054.6 Ų54.631%0.30728%0.279SS..  trans-79.8168.6168.767.40000110I175 D179 D180 I181I175-T177 PolarHBondContact O-N 3.22Å; T177-D179 PolarHBondContact O-N 3.07Å; T177-D179 PolarHBondContact OG1-N 3.16Å; T177-D180 PolarHBondContact N-OD2 3.06Å; T177-D180 WeakPolarHBondContact O-CB 3.27Å; T177-D180 PolarHBondContact O-N 3.28Å; T177-D180 VanDerWaalsContact OG1-CG 3.28Å; T177-D180 PolarHBondContact OG1-N 3.38Å; T177-D180 PolarHBondContact OG1-OD2 3Å; T177-I181 WeakPolarHBondContact O-CG1 3.33Å; T177-I181 PolarHBondContact O-N 3.39Å; T177-I181 VanDerWaalsContact O-N 3.07Å
178Q96.6Very high96.4Very high78 Ų7851.1 Ų51.136%0.36426%0.261SS..Hα-helixtrans-60.4-35.4170.4-67.1-176.9-7.400111.3I62 D180 I181 L182I62-Q178 HydrophobicContact CD1-CB 4.2Å; Q178-D180 PolarHBondContact O-N 2.88Å; Q178-I181 PolarHBondContact O-N 3.3Å; Q178-L182 WeakPolarHBondContact O-CG 3.23Å; Q178-L182 PolarHBondContact O-N 2.95Å
179D97.1Very high96.2Very high74 Ų7452.1 Ų52.140%0.39628%0.276SS..Hα-helixtrans-63.1-38.2174.6-85.6-52.8000113.6Y161 T177 R183Y161-D179 WeakPolarHBondContact OH-CB 3.46Å; T177-D179 PolarHBondContact O-N 3.07Å; T177-D179 PolarHBondContact OG1-N 3.16Å; D179-R183 WeakPolarHBondContact O-CG 3.4Å; D179-R183 PolarHBondContact O-N 3.34Å; D179-R183 PolarHBondContact O-NH1 2.87Å; D179-R183 IonicContact OD1-CZ 2.65Å; D179-R183 IonicContact OD1-NH1 2.8Å; D179-R183 PolarHBondContact OD1-NH1 3.17Å
180D98.2Very high96Very high0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-62.9-50.1172-64.1-43000109.1V80 Y161 Y162 R168 Y174 P176 T177 Q178 L182 R183 T184V80-D180 HydrophobicContact CG2-CB 4.12Å; Y161-D180 VanDerWaalsContact CE1-OD1 3.27Å; Y161-D180 WeakPolarHBondContact CE1-OD1 3.39Å; Y161-D180 PolarHBondContact OH-OD1 3.23Å; Y162-D180 HydrophobicContact CE1-CB 4.31Å; Y162-D180 PolarHBondContact OH-O 3.49Å; R168-D180 IonicContact CZ-OD1 3.43Å; R168-D180 IonicContact CZ-OD2 3.53Å; R168-D180 IonicContact NH1-OD1 2.72Å; R168-D180 PolarHBondContact NH1-OD1 3.45Å; R168-D180 VanDerWaalsContact NH1-OD1 3.15Å; R168-D180 IonicContact NH1-OD2 3.51Å; R168-D180 PolarHBondContact NH1-OD2 3.38Å; R168-D180 IonicContact NH2-OD1 2.77Å; R168-D180 PolarHBondContact NH2-OD1 3.08Å; R168-D180 IonicContact NH2-OD2 3.41Å; Y174-D180 PolarHBondContact OH-OD2 2.81Å; P176-D180 WeakPolarHBondContact CA-OD2 3.21Å; P176-D180 HydrophobicContact CB-CB 4Å; T177-D180 PolarHBondContact N-OD2 3.06Å; T177-D180 WeakPolarHBondContact O-CB 3.27Å; T177-D180 PolarHBondContact O-N 3.28Å; T177-D180 VanDerWaalsContact OG1-CG 3.28Å; T177-D180 PolarHBondContact OG1-N 3.38Å; T177-D180 PolarHBondContact OG1-OD2 3Å; Q178-D180 PolarHBondContact O-N 2.88Å; D180-L182 VanDerWaalsContact C-N 3.32Å; D180-L182 PolarHBondContact O-N 2.98Å; D180-R183 CarbonylContact O-C 3.58Å; D180-R183 PolarHBondContact O-N 3.17Å; D180-T184 WeakPolarHBondContact O-CG2 3.5Å; D180-T184 PolarHBondContact O-N 3.04Å
181I98.1Very high95.9Very high0 Ų055.2 Ų55.20%030%0.296CS..Hα-helixtrans-57.4-44.5-179.3-67.6177.7000111.9K58 Y68 R73 Y76 P176 T177 Q178 R183 T184K58-I181 HydrophobicContact CD-CG2 4.25Å; K58-I181 PolarHBondContact NZ-O 3.3Å; Y68-I181 HydrophobicContact CD1-CD1 3.98Å; Y68-I181 HydrophobicContact CD1-CG2 4.49Å; Y68-I181 HydrophobicContact CD2-CD1 4.02Å; Y68-I181 HydrophobicContact CD2-CG2 4.31Å; Y68-I181 HydrophobicContact CE1-CG2 4.08Å; Y68-I181 HydrophobicContact CE2-CG2 3.9Å; Y68-I181 HydrophobicContact CG-CD1 3.69Å; R73-I181 HydrophobicContact CB-CD1 4.33Å; R73-I181 HydrophobicContact CG-CD1 3.64Å; Y76-I181 HydrophobicContact CD1-CG1 4.37Å; Y76-I181 HydrophobicContact CD1-CG2 4.32Å; Y76-I181 HydrophobicContact CD2-CD1 3.57Å; Y76-I181 HydrophobicContact CD2-CG1 3.75Å; Y76-I181 HydrophobicContact CD2-CG2 4.17Å; Y76-I181 HydrophobicContact CE1-CG2 4.11Å; Y76-I181 HydrophobicContact CE2-CD1 4.08Å; Y76-I181 HydrophobicContact CE2-CG1 4.36Å; Y76-I181 HydrophobicContact CE2-CG2 3.95Å; Y76-I181 HydrophobicContact CG-CD1 4.11Å; Y76-I181 HydrophobicContact CG-CG1 3.77Å; Y76-I181 HydrophobicContact CG-CG2 4.36Å; P176-I181 HydrophobicContact CB-CG1 4.36Å; T177-I181 WeakPolarHBondContact O-CG1 3.33Å; T177-I181 PolarHBondContact O-N 3.39Å; T177-I181 VanDerWaalsContact O-N 3.07Å; Q178-I181 PolarHBondContact O-N 3.3Å; I181-R183 PolarHBondContact O-N 3.24Å; I181-T184 PolarHBondContact O-N 3.16Å; I181-T184 PolarHBondContact O-OG1 2.99Å
182L97.9Very high95.8Very high3 Ų353.6 Ų53.62%0.01629%0.29CS..Hα-helixtrans-60.6-29.8178.8-74171.7000112.6T55 K58 Q59 I62 Q178 D180 T335T55-L182 HydrophobicContact CG2-CB 4.39Å; T55-L182 HydrophobicContact CG2-CD2 3.95Å; T55-L182 WeakPolarHBondContact CG2-O 3.47Å; K58-L182 HydrophobicContact CB-CD2 3.88Å; Q59-L182 HydrophobicContact CG-CD2 3.75Å; I62-L182 HydrophobicContact CD1-CD1 3.94Å; I62-L182 HydrophobicContact CD1-CD2 3.91Å; I62-L182 HydrophobicContact CD1-CG 3.94Å; Q178-L182 WeakPolarHBondContact O-CG 3.23Å; Q178-L182 PolarHBondContact O-N 2.95Å; D180-L182 VanDerWaalsContact C-N 3.32Å; D180-L182 PolarHBondContact O-N 2.98Å; L182-T335 HydrophobicContact CB-CG2 4.3Å
183R98Very high96.1Very high62 Ų6253 Ų5323%0.23428%0.278CS..Hα-helixtrans-95-2-179.6-68.8176-179.581.1-2.1113.9S158 Y161 Y162 D179 D180 I181 T335S158-R183 VanDerWaalsContact CB-O 3.28Å; S158-R183 WeakPolarHBondContact CB-O 3.27Å; S158-R183 PolarHBondContact OG-O 3.36Å; Y161-R183 HydrophobicContact CD1-CB 4.29Å; Y161-R183 HydrophobicContact CD1-CG 4.43Å; Y161-R183 VanDerWaalsContact CD2-CD 3.48Å; Y162-R183 HydrophobicContact CE2-CB 4.35Å; Y162-R183 PolarHBondContact OH-O 3.17Å; D179-R183 WeakPolarHBondContact O-CG 3.4Å; D179-R183 PolarHBondContact O-N 3.34Å; D179-R183 PolarHBondContact O-NH1 2.87Å; D179-R183 IonicContact OD1-CZ 2.65Å; D179-R183 IonicContact OD1-NH1 2.8Å; D179-R183 PolarHBondContact OD1-NH1 3.17Å; D180-R183 CarbonylContact O-C 3.58Å; D180-R183 PolarHBondContact O-N 3.17Å; I181-R183 PolarHBondContact O-N 3.24Å; R183-T335 HydrophobicContact CG-CG2 3.84Å
184T97.7Very high96.2Very high8 Ų847.1 Ų47.15%0.04925%0.247CC..  trans-69140.5172.157.70000111.4K58 Y76 V79 V80 N83 Y162 D180 I181K58-T184 PolarHBondContact NZ-O 2.96Å; K58-T184 PolarHBondContact NZ-OG1 2.82Å; Y76-T184 HydrophobicContact CD1-CG2 4.18Å; V79-T184 HydrophobicContact CB-CG2 4.33Å; V79-T184 HydrophobicContact CG1-CG2 4Å; V80-T184 HydrophobicContact CG2-CG2 3.53Å; N83-T184 WeakPolarHBondContact OD1-CA 3.35Å; Y162-T184 WeakPolarHBondContact OH-CG2 3.46Å; Y162-T184 PolarHBondContact OH-N 2.93Å; Y162-T184 VanDerWaalsContact OH-N 3.16Å; D180-T184 WeakPolarHBondContact O-CG2 3.5Å; D180-T184 PolarHBondContact O-N 3.04Å; I181-T184 PolarHBondContact O-N 3.16Å; I181-T184 PolarHBondContact O-OG1 2.99Å
185R95.7Very high96.1Very high65 Ų6550.2 Ų50.225%0.24527%0.265CS..  trans-114.8112.7178.31796617877.415.6109.7E50 N83E50-R185 IonicContact OE1-CZ 2.84Å; E50-R185 VanDerWaalsContact OE1-CZ 3.26Å; E50-R185 IonicContact OE1-NE 3.62Å; E50-R185 PolarHBondContact OE1-NE 3.02Å; E50-R185 IonicContact OE1-NH2 2.8Å; E50-R185 PolarHBondContact OE1-NH2 3.39Å; N83-R185 PolarHBondContact ND2-O 2.94Å; N83-R185 VanDerWaalsContact ND2-O 3.09Å; N83-R185 PolarHBondContact OD1-N 3.28Å; N83-R185 PolarHBondContact OD1-O 3.37Å
186V95.2Very high96.1Very high88 Ų8848.3 Ų48.353%0.53326%0.255SS..  trans-123.8135.5167.6-1780000107.6V79 T188V79-V186 HydrophobicContact CG1-CG2 3.61Å; V79-V186 HydrophobicContact CG2-CG2 4.38Å; V186-T188 PolarHBondContact O-N 3.09Å; V186-T188 VanDerWaalsContact O-N 3.15Å
187K94.7Very high95.8Very high98 Ų9851.9 Ų51.943%0.42628%0.277SS..  trans-69.9110.6176.1177.6171.5173.6-179.90108.6T189 Q211K187-T189 HydrophobicContact CG-CG2 4.49Å; K187-T189 PolarHBondContact O-N 3.2Å; K187-Q211 HydrophobicContact CD-CG 4.27Å
188T94.1Very high95.6Very high26 Ų2651.9 Ų51.916%0.1627%0.271CS..  trans-61.9122.9172.2-45.60000108.9S54 V186 V192 G209S54-T188 PolarHBondContact OG-OG1 3Å; V186-T188 PolarHBondContact O-N 3.09Å; V186-T188 VanDerWaalsContact O-N 3.15Å; T188-V192 HydrophobicContact CG2-CG2 4.4Å; T188-G209 WeakPolarHBondContact O-CA 3.17Å
189T93.4Very high95.2Very high96 Ų9652.4 Ų52.459%0.58927%0.273SS*.  trans-116.5139.8174.959.90000108.5K187 E214K187-T189 HydrophobicContact CG-CG2 4.49Å; K187-T189 PolarHBondContact O-N 3.2Å; T189-E214 WeakPolarHBondContact CA-OE2 3.48Å
190G93.5Very high94.7Very high19 Ų1954.9 Ų54.920%0.19629%0.286CS..SBendtrans68.6-142.9-177.200000113.7G209 E214G190-G209 PolarHBondContact O-N 2.95Å; G190-E214 PolarHBondContact N-OE2 2.92Å
191I94.9Very high94.4Very high68 Ų6855.8 Ų55.835%0.34929%0.291SS..EExtended strand (participates in β ladder)trans-127127.7-173.4-60.4157.6000107.3F206 V208 H220 C221I191-F206 HydrophobicContact CG2-CD1 3.91Å; I191-V208 HydrophobicContact CB-CG1 4.38Å; I191-V208 HydrophobicContact CG1-CG1 3.88Å; I191-V208 HydrophobicContact CG2-CG1 4.24Å; I191-H220 HydrophobicContact CD1-CB 3.93Å; I191-C221 VanDerWaalsContact CD1-SG 3.53Å; I191-C221 VanDerWaalsContact CG2-SG 3.51Å
192V95.1Very high94.2Very high66 Ų6659.7 Ų59.740%0.431%0.309SS..EExtended strand (participates in β ladder)trans-115.3124.6175.81800000108.2T188 F206 D207T188-V192 HydrophobicContact CG2-CG2 4.4Å; V192-F206 WeakPolarHBondContact O-CA 3.43Å; V192-D207 PolarHBondContact N-O 3.49Å; V192-D207 PolarHBondContact O-N 2.83Å
193E96.1Very high94.1Very high95 Ų9559.6 Ų59.644%0.44431%0.308SS..EExtended strand (participates in β ladder)trans-98.1135.4173.8-174.7-178.2137.900109.5N195 M205 F206E193-N195 PolarHBondContact OE1-ND2 2.86Å; E193-N195 PolarHBondContact OE1-OD1 3.4Å; E193-M205 CarbonylContact C-O 3.59Å; E193-M205 WeakPolarHBondContact CA-O 3.4Å; E193-F206 HydrophobicContact CB-CD1 4.3Å; E193-F206 HydrophobicContact CB-CE1 4.04Å; E193-F206 HydrophobicContact CG-CD1 4.43Å; E193-F206 HydrophobicContact CG-CE1 3.91Å; E193-F206 HydrophobicContact CG-CE2 4.46Å; E193-F206 HydrophobicContact CG-CZ 3.92Å; E193-F206 WeakPolarHBondContact OE2-CE1 3.35Å; E193-F206 WeakPolarHBondContact OE2-CZ 3.48Å
194T95.2Very high94Very high26 Ų2659.7 Ų59.716%0.1631%0.31CS..EExtended strand (participates in β ladder)trans-132.7131174.5-60.60000109V57 M205V57-T194 HydrophobicContact CG1-CG2 4Å; V57-T194 VanDerWaalsContact CG1-OG1 3.28Å; V57-T194 WeakPolarHBondContact CG1-OG1 3.21Å; T194-M205 PolarHBondContact N-O 3.49Å; T194-M205 PolarHBondContact O-N 3.46Å
195N95.2Very high94Very high82 Ų8259.3 Ų59.344%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-117.6128.3-171.7-65.9-40.1000110.1E193 F203 K204E193-N195 PolarHBondContact OE1-ND2 2.86Å; E193-N195 PolarHBondContact OE1-OD1 3.4Å; N195-F203 VanDerWaalsContact CA-O 3.32Å; N195-F203 WeakPolarHBondContact CA-O 3.32Å; N195-K204 WeakPolarHBondContact OD1-CA 3.47Å; N195-K204 WeakPolarHBondContact OD1-CG 3.28Å
196F95Very high94.1Very high10 Ų1057.3 Ų57.34%0.04430%0.301CS..EExtended strand (participates in β ladder)trans-148.8163.1177.860.3-85.2000110.7M60 H64 E65 F203 M205 F344M60-F196 HydrophobicContact CB-CD1 3.91Å; M60-F196 HydrophobicContact CB-CE1 3.77Å; M60-F196 HydrophobicContact CB-CG 4.37Å; M60-F196 HydrophobicContact CB-CZ 4.13Å; M60-F196 HydrophobicContact CG-CD1 4.28Å; M60-F196 HydrophobicContact CG-CE1 3.62Å; M60-F196 HydrophobicContact CG-CE2 4.4Å; M60-F196 HydrophobicContact CG-CZ 3.69Å; M60-F196 HydrophobicContact SD-CE1 4.1Å; M60-F196 HydrophobicContact SD-CE2 3.87Å; M60-F196 HydrophobicContact SD-CZ 3.5Å; M60-F196 VanDerWaalsContact SD-CZ 3.5Å; H64-F196 HydrophobicContact CB-CB 4.34Å; H64-F196 HydrophobicContact CB-CD2 3.98Å; H64-F196 HydrophobicContact CB-CG 4.47Å; H64-F196 AromaticContact CD2-CD2 3.83Å; H64-F196 AromaticContact CD2-CE2 3.83Å; E65-F196 HydrophobicContact CG-CB 4.49Å; F196-F203 HydrophobicContact CD1-CB 4.11Å; F196-F203 HydrophobicContact CD2-CB 3.99Å; F196-F203 HydrophobicContact CD2-CD2 4.19Å; F196-F203 HydrophobicContact CD2-CG 4.33Å; F196-F203 HydrophobicContact CE1-CB 3.75Å; F196-F203 HydrophobicContact CE2-CB 3.61Å; F196-F203 HydrophobicContact CE2-CD1 4.42Å; F196-F203 AromaticContact CE2-CD2 3.74Å; F196-F203 HydrophobicContact CE2-CD2 3.74Å; F196-F203 AromaticContact CE2-CG 3.67Å; F196-F203 HydrophobicContact CE2-CG 3.67Å; F196-F203 HydrophobicContact CG-CB 4.23Å; F196-F203 HydrophobicContact CZ-CB 3.48Å; F196-F203 VanDerWaalsContact CZ-CB 3.48Å; F196-F203 HydrophobicContact CZ-CD1 4.27Å; F196-F203 HydrophobicContact CZ-CD2 4.33Å; F196-F203 AromaticContact CZ-CG 3.79Å; F196-F203 HydrophobicContact CZ-CG 3.79Å; F196-F203 PolarHBondContact N-O 3.04Å; F196-F203 VanDerWaalsContact N-O 3.12Å; F196-F203 PolarHBondContact O-N 3.41Å; F196-M205 HydrophobicContact CE1-CB 3.95Å; F196-M205 HydrophobicContact CE1-CE 3.88Å; F196-M205 HydrophobicContact CE1-SD 4.34Å; F196-M205 HydrophobicContact CZ-CE 3.83Å; F196-F344 AromaticContact CE2-CE1 3.76Å; F196-F344 HydrophobicContact CE2-CE1 3.76Å; F196-F344 AromaticContact CE2-CZ 3.67Å; F196-F344 HydrophobicContact CE2-CZ 3.67Å; F196-F344 HydrophobicContact CZ-CE1 4.13Å; F196-F344 HydrophobicContact CZ-CE2 4.27Å; F196-F344 AromaticContact CZ-CZ 3.56Å; F196-F344 HydrophobicContact CZ-CZ 3.56Å
197T92.7Very high94.2Very high76 Ų7653.4 Ų53.447%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-115132.9179.1-59.70000110L201 H202T197-L201 WeakPolarHBondContact CA-O 3.48Å; T197-H202 PolarHBondContact OG1-ND1 2.65Å; T197-H202 VanDerWaalsContact OG1-ND1 3.12Å
198Y92.6Very high94.3Very high49 Ų4948.8 Ų48.819%0.19226%0.257CS..EExtended strand (participates in β ladder)trans-149.9134.3177.9-178.3-120.5000110.7H64 D200 L201 F203 F344 D345 T348H64-Y198 AromaticContact CE1-CD2 3.18Å; H64-Y198 WeakPolarHBondContact CE1-CD2 3.03Å; H64-Y198 AromaticContact CE1-CE2 3.46Å; H64-Y198 VanDerWaalsContact CE1-CE2 3.46Å; H64-Y198 WeakPolarHBondContact CE1-CE2 3.27Å; H64-Y198 AromaticContact CE1-CG 3.48Å; H64-Y198 VanDerWaalsContact CE1-CG 3.48Å; H64-Y198 AromaticContact CE1-CZ 3.98Å; H64-Y198 AromaticContact ND1-CD2 3.29Å; H64-Y198 VanDerWaalsContact ND1-CD2 3.29Å; H64-Y198 WeakPolarHBondContact ND1-CD2 3.4Å; H64-Y198 AromaticContact ND1-CE2 3.88Å; H64-Y198 AromaticContact ND1-CG 3.77Å; Y198-D200 VanDerWaalsContact C-N 3.29Å; Y198-D200 PolarHBondContact O-N 2.83Å; Y198-L201 PolarHBondContact N-O 2.89Å; Y198-L201 WeakPolarHBondContact O-CB 3.21Å; Y198-L201 PolarHBondContact O-N 2.78Å; Y198-F203 HydrophobicContact CD1-CE2 4.39Å; Y198-F344 HydrophobicContact CD1-CD1 4.13Å; Y198-F344 AromaticContact CD1-CE1 3.94Å; Y198-F344 HydrophobicContact CD1-CE1 3.94Å; Y198-F344 HydrophobicContact CE1-CD1 4.29Å; Y198-D345 PolarHBondContact OH-OD1 2.91Å; Y198-T348 HydrophobicContact CD1-CG2 3.99Å; Y198-T348 WeakPolarHBondContact CD1-OG1 3.26Å; Y198-T348 HydrophobicContact CE1-CG2 4.09Å
199K89.1Confident94.4Very high89 Ų8947.6 Ų47.639%0.38725%0.25SC..THydrogen-bonded Turntrans45.548.3-175.5-64.9-171.1-179.5177.80113.5L201 D345 T348 D349K199-L201 PolarHBondContact O-N 3.43Å; K199-D345 WeakPolarHBondContact CE-OD1 3.33Å; K199-D345 IonicContact NZ-OD1 3.18Å; K199-D345 PolarHBondContact NZ-OD1 3.07Å; K199-D345 IonicContact NZ-OD2 3.5Å; K199-T348 HydrophobicContact CB-CG2 4.47Å; K199-T348 HydrophobicContact CD-CG2 4Å; K199-D349 IonicContact NZ-OD1 3.68Å; K199-D349 PolarHBondContact NZ-OD1 2.92Å; K199-D349 IonicContact NZ-OD2 2.8Å
200D86.4Confident94.5Very high127 Ų12743.1 Ų43.168%0.67922%0.223SC*.THydrogen-bonded Turntrans60.98.5-177.6-56.4-44.7000116.1Y198Y198-D200 VanDerWaalsContact C-N 3.29Å; Y198-D200 PolarHBondContact O-N 2.83Å
201L92.4Very high94.6Very high18 Ų1842.9 Ų42.99%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-98.2142.3173.1-59.3171.6000110.6R39 V41 T197 Y198 K199 F203 T348 V352R39-L201 HydrophobicContact CB-CD2 4.47Å; R39-L201 WeakPolarHBondContact O-CA 3.06Å; V41-L201 HydrophobicContact CG2-CB 4.26Å; V41-L201 HydrophobicContact CG2-CD1 4.12Å; V41-L201 HydrophobicContact CG2-CD2 4.34Å; V41-L201 HydrophobicContact CG2-CG 4.48Å; T197-L201 WeakPolarHBondContact CA-O 3.48Å; Y198-L201 PolarHBondContact N-O 2.89Å; Y198-L201 WeakPolarHBondContact O-CB 3.21Å; Y198-L201 PolarHBondContact O-N 2.78Å; K199-L201 PolarHBondContact O-N 3.43Å; L201-F203 HydrophobicContact CB-CD2 4.2Å; L201-F203 HydrophobicContact CB-CE2 3.68Å; L201-F203 HydrophobicContact CB-CZ 4.25Å; L201-F203 HydrophobicContact CD1-CE2 4.25Å; L201-F203 HydrophobicContact CD1-CZ 4.08Å; L201-T348 HydrophobicContact CD1-CG2 4.05Å; L201-V352 HydrophobicContact CD1-CG2 3.72Å
202H93.4Very high94.6Very high82 Ų8243.7 Ų43.738%0.3822%0.216SC..EExtended strand (participates in β ladder)trans-98.7106.5174.9-62.5-60000109.4R39 E40 V41 T197R39-H202 PolarHBondContact O-N 2.77Å; E40-H202 WeakPolarHBondContact CA-O 3.38Å; V41-H202 PolarHBondContact N-O 2.72Å; T197-H202 PolarHBondContact OG1-ND1 2.65Å; T197-H202 VanDerWaalsContact OG1-ND1 3.12Å
203F95.9Very high94.6Very high2 Ų244 Ų441%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-88.2128.9-179.5-72.7-91.3000110.9V41 L43 N195 F196 Y198 L201 F344 T348 I351V41-F203 HydrophobicContact CB-CD1 3.77Å; V41-F203 HydrophobicContact CB-CE1 3.86Å; V41-F203 HydrophobicContact CB-CG 4.39Å; V41-F203 HydrophobicContact CG1-CD1 3.69Å; V41-F203 HydrophobicContact CG1-CE1 3.57Å; V41-F203 HydrophobicContact CG2-CE1 4.34Å; V41-F203 CarbonylContact O-C 3.59Å; V41-F203 WeakPolarHBondContact O-CA 3.4Å; L43-F203 HydrophobicContact CD1-CD1 3.47Å; L43-F203 VanDerWaalsContact CD1-CD1 3.47Å; L43-F203 HydrophobicContact CD1-CE1 3.8Å; L43-F203 HydrophobicContact CG-CD1 3.83Å; L43-F203 HydrophobicContact CG-CE1 4.23Å; N195-F203 VanDerWaalsContact CA-O 3.32Å; N195-F203 WeakPolarHBondContact CA-O 3.32Å; F196-F203 HydrophobicContact CD1-CB 4.11Å; F196-F203 HydrophobicContact CD2-CB 3.99Å; F196-F203 HydrophobicContact CD2-CD2 4.19Å; F196-F203 HydrophobicContact CD2-CG 4.33Å; F196-F203 HydrophobicContact CE1-CB 3.75Å; F196-F203 HydrophobicContact CE2-CB 3.61Å; F196-F203 HydrophobicContact CE2-CD1 4.42Å; F196-F203 AromaticContact CE2-CD2 3.74Å; F196-F203 HydrophobicContact CE2-CD2 3.74Å; F196-F203 AromaticContact CE2-CG 3.67Å; F196-F203 HydrophobicContact CE2-CG 3.67Å; F196-F203 HydrophobicContact CG-CB 4.23Å; F196-F203 HydrophobicContact CZ-CB 3.48Å; F196-F203 VanDerWaalsContact CZ-CB 3.48Å; F196-F203 HydrophobicContact CZ-CD1 4.27Å; F196-F203 HydrophobicContact CZ-CD2 4.33Å; F196-F203 AromaticContact CZ-CG 3.79Å; F196-F203 HydrophobicContact CZ-CG 3.79Å; F196-F203 PolarHBondContact N-O 3.04Å; F196-F203 VanDerWaalsContact N-O 3.12Å; F196-F203 PolarHBondContact O-N 3.41Å; Y198-F203 HydrophobicContact CD1-CE2 4.39Å; L201-F203 HydrophobicContact CB-CD2 4.2Å; L201-F203 HydrophobicContact CB-CE2 3.68Å; L201-F203 HydrophobicContact CB-CZ 4.25Å; L201-F203 HydrophobicContact CD1-CE2 4.25Å; L201-F203 HydrophobicContact CD1-CZ 4.08Å; F203-F344 HydrophobicContact CD1-CZ 4.12Å; F203-F344 HydrophobicContact CE1-CE1 4.46Å; F203-F344 AromaticContact CE1-CZ 3.93Å; F203-F344 HydrophobicContact CE1-CZ 3.93Å; F203-F344 HydrophobicContact CE2-CE1 4.49Å; F203-F344 HydrophobicContact CZ-CE1 4.28Å; F203-F344 HydrophobicContact CZ-CZ 4.2Å; F203-T348 HydrophobicContact CZ-CG2 4.04Å; F203-I351 HydrophobicContact CE1-CD1 4.35Å
204K96.3Very high94.6Very high63 Ų6340.2 Ų40.227%0.27420%0.203SC..EExtended strand (participates in β ladder)trans-108.3102163.4-59.9-172.1173.2156.60108.6E40 V41 K42 L43 N195 F206E40-K204 HydrophobicContact CG-CD 4.36Å; E40-K204 HydrophobicContact CG-CG 4.4Å; E40-K204 WeakPolarHBondContact OE1-CE 3.42Å; E40-K204 IonicContact OE1-NZ 2.94Å; E40-K204 PolarHBondContact OE1-NZ 3.37Å; E40-K204 WeakPolarHBondContact OE2-CE 3.39Å; E40-K204 IonicContact OE2-NZ 3.39Å; E40-K204 PolarHBondContact OE2-NZ 2.75Å; V41-K204 PolarHBondContact O-N 3.24Å; K42-K204 WeakPolarHBondContact CA-O 3.29Å; L43-K204 PolarHBondContact N-O 3.17Å; N195-K204 WeakPolarHBondContact OD1-CA 3.47Å; N195-K204 WeakPolarHBondContact OD1-CG 3.28Å; K204-F206 HydrophobicContact CB-CE2 3.74Å; K204-F206 HydrophobicContact CB-CZ 4.42Å; K204-F206 WeakPolarHBondContact O-CD2 3.47Å
205M97.2Very high94.6Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-97.1123.3-178.6-176.1175.2-74.400110.5L43 L45 V57 M60 E193 T194 F196 F344L43-M205 HydrophobicContact CB-CB 4.45Å; L43-M205 HydrophobicContact CB-CG 4.43Å; L43-M205 HydrophobicContact CD1-CE 3.7Å; L43-M205 CarbonylContact O-C 3.5Å; L43-M205 WeakPolarHBondContact O-CA 3.44Å; L45-M205 HydrophobicContact CD1-CG 4.05Å; L45-M205 HydrophobicContact CD1-SD 3.81Å; L45-M205 HydrophobicContact CD2-CE 4.44Å; L45-M205 HydrophobicContact CD2-CG 4.34Å; L45-M205 HydrophobicContact CD2-SD 4.26Å; L45-M205 HydrophobicContact CG-CG 3.95Å; L45-M205 HydrophobicContact CG-SD 4.18Å; V57-M205 HydrophobicContact CG2-CG 4.43Å; V57-M205 HydrophobicContact CG2-SD 3.93Å; M60-M205 HydrophobicContact CG-CE 3.64Å; M60-M205 HydrophobicContact CG-SD 3.78Å; M60-M205 HydrophobicContact SD-CE 3.97Å; E193-M205 CarbonylContact C-O 3.59Å; E193-M205 WeakPolarHBondContact CA-O 3.4Å; T194-M205 PolarHBondContact N-O 3.49Å; T194-M205 PolarHBondContact O-N 3.46Å; F196-M205 HydrophobicContact CE1-CB 3.95Å; F196-M205 HydrophobicContact CE1-CE 3.88Å; F196-M205 HydrophobicContact CE1-SD 4.34Å; F196-M205 HydrophobicContact CZ-CE 3.83Å; M205-F344 HydrophobicContact CE-CE2 3.92Å; M205-F344 HydrophobicContact CE-CZ 4.48Å
206F97.8Very high94.6Very high23 Ų2346.3 Ų46.310%0.10122%0.222CC..EExtended strand (participates in β ladder)trans-106.2113179.8-67.9-93.7000109.9K42 L43 L44 L45 I191 V192 E193 K204K42-F206 HydrophobicContact CD-CD2 4.33Å; K42-F206 HydrophobicContact CD-CE2 3.91Å; K42-F206 HydrophobicContact CG-CD2 3.88Å; K42-F206 HydrophobicContact CG-CE2 3.72Å; L43-F206 PolarHBondContact O-N 2.87Å; L44-F206 HydrophobicContact CD1-CB 3.79Å; L45-F206 PolarHBondContact N-O 2.76Å; I191-F206 HydrophobicContact CG2-CD1 3.91Å; V192-F206 WeakPolarHBondContact O-CA 3.43Å; E193-F206 HydrophobicContact CB-CD1 4.3Å; E193-F206 HydrophobicContact CB-CE1 4.04Å; E193-F206 HydrophobicContact CG-CD1 4.43Å; E193-F206 HydrophobicContact CG-CE1 3.91Å; E193-F206 HydrophobicContact CG-CE2 4.46Å; E193-F206 HydrophobicContact CG-CZ 3.92Å; E193-F206 WeakPolarHBondContact OE2-CE1 3.35Å; E193-F206 WeakPolarHBondContact OE2-CZ 3.48Å; K204-F206 HydrophobicContact CB-CE2 3.74Å; K204-F206 HydrophobicContact CB-CZ 4.42Å; K204-F206 WeakPolarHBondContact O-CD2 3.47Å
207D97.5Very high94.6Very high6 Ų649.7 Ų49.73%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-99.4130.6170.3-178.832.4000110.4L45 K53 S54 V57 V192L45-D207 HydrophobicContact CD1-CB 4.31Å; K53-D207 VanDerWaalsContact CB-OD1 3.26Å; K53-D207 WeakPolarHBondContact CB-OD1 3.3Å; S54-D207 WeakPolarHBondContact CA-OD2 3.42Å; S54-D207 VanDerWaalsContact CB-OD2 3.29Å; S54-D207 WeakPolarHBondContact CB-OD2 3.2Å; S54-D207 PolarHBondContact OG-OD2 2.87Å; V57-D207 HydrophobicContact CG2-CB 3.63Å; V192-D207 PolarHBondContact N-O 3.49Å; V192-D207 PolarHBondContact O-N 2.83Å
208V97.2Very high94.8Very high1 Ų146.5 Ų46.51%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-125.8147.3-175.4-61.40000110.7L44 L45 L46 K53 I191 G210 W218L44-V208 HydrophobicContact CD1-CG1 4.37Å; L45-V208 WeakPolarHBondContact O-CG2 3Å; L46-V208 HydrophobicContact CD2-CG2 3.7Å; K53-V208 WeakPolarHBondContact CE-O 3.37Å; I191-V208 HydrophobicContact CB-CG1 4.38Å; I191-V208 HydrophobicContact CG1-CG1 3.88Å; I191-V208 HydrophobicContact CG2-CG1 4.24Å; V208-G210 PolarHBondContact O-N 2.8Å; V208-W218 VanDerWaalsContact CG2-CD1 3.47Å; V208-W218 HydrophobicContact CG2-CD2 4.29Å; V208-W218 HydrophobicContact CG2-CG 4.1Å; V208-W218 HydrophobicContact CG2-CZ2 4.34Å; V208-W218 VanDerWaalsContact CG2-NE1 3.26Å
209G96.1Very high94.8Very high1 Ų147.9 Ų47.91%0.0123%0.226CC..  trans-55127.7174.400000111.9T188 G190 E214 W218T188-G209 WeakPolarHBondContact O-CA 3.17Å; G190-G209 PolarHBondContact O-N 2.95Å; G209-E214 WeakPolarHBondContact O-CB 3.34Å; G209-W218 PolarHBondContact O-NE1 3.07Å
210G95Very high95.1Very high2 Ų250.7 Ų50.72%0.02124%0.24CC..  trans-90.4-17.5-175.600000115.2G47 G49 V208 R215G47-G210 WeakPolarHBondContact O-CA 3.48Å; G49-G210 VanDerWaalsContact N-C 3.34Å; G49-G210 PolarHBondContact N-O 3.38Å; V208-G210 PolarHBondContact O-N 2.8Å; G210-R215 PolarHBondContact O-NE 3.4Å; G210-R215 VanDerWaalsContact O-NE 3.07Å
211Q95.6Very high95.5Very high15 Ų1544.9 Ų44.97%0.0721%0.209CC..SBendtrans-64.5151.8179.2-67.182.210.100110.8K187 S213 E214 R215 E243K187-Q211 HydrophobicContact CD-CG 4.27Å; Q211-S213 PolarHBondContact O-N 3.47Å; Q211-S213 VanDerWaalsContact O-N 3.08Å; Q211-E214 PolarHBondContact O-N 3.2Å; Q211-R215 WeakPolarHBondContact O-CG 3.46Å; Q211-R215 PolarHBondContact O-N 3.18Å; Q211-E243 WeakPolarHBondContact CA-OE1 3.36Å; Q211-E243 VanDerWaalsContact CB-OE1 3.22Å; Q211-E243 WeakPolarHBondContact CB-OE1 3.41Å; Q211-E243 WeakPolarHBondContact CG-OE1 3.39Å
212R95.2Very high95.6Very high85 Ų8544.7 Ų44.732%0.32121%0.207SC..THydrogen-bonded Turntrans-54-35.8-175.7-75.4-177.3170.8172.40.1112.9E214 E243 D244 E252R212-E214 VanDerWaalsContact C-N 3.26Å; R212-E214 PolarHBondContact O-N 3.15Å; R212-E243 PolarHBondContact N-OE1 2.87Å; R212-D244 IonicContact CZ-OD2 3.8Å; R212-D244 IonicContact NH1-OD2 3.74Å; R212-D244 PolarHBondContact NH1-OD2 3.12Å; R212-D244 IonicContact NH2-OD2 2.88Å; R212-D244 PolarHBondContact NH2-OD2 2.96Å; R212-E252 IonicContact CZ-OE1 3.24Å; R212-E252 IonicContact CZ-OE2 2.69Å; R212-E252 IonicContact NE-OE1 3.4Å; R212-E252 PolarHBondContact NE-OE1 3.34Å; R212-E252 VanDerWaalsContact NE-OE1 3.08Å; R212-E252 IonicContact NE-OE2 3.79Å; R212-E252 IonicContact NH2-OE1 3.56Å; R212-E252 IonicContact NH2-OE2 2.69Å; R212-E252 PolarHBondContact NH2-OE2 2.95Å
213S94.8Very high95.6Very high71 Ų7148.2 Ų48.250%0.49722%0.224SC..THydrogen-bonded Turntrans-62.8-28.2177.366.90000114.1Q211Q211-S213 PolarHBondContact O-N 3.47Å; Q211-S213 VanDerWaalsContact O-N 3.08Å
214E96.3Very high95.3Very high17 Ų1751 Ų518%0.07925%0.254CS..THydrogen-bonded Turntrans-93-22.1-173.3-59.9-54.1103.700112.8T189 G190 G209 Q211 R212 K216 K217T189-E214 WeakPolarHBondContact CA-OE2 3.48Å; G190-E214 PolarHBondContact N-OE2 2.92Å; G209-E214 WeakPolarHBondContact O-CB 3.34Å; Q211-E214 PolarHBondContact O-N 3.2Å; R212-E214 VanDerWaalsContact C-N 3.26Å; R212-E214 PolarHBondContact O-N 3.15Å; E214-K216 PolarHBondContact O-N 3.29Å; E214-K216 VanDerWaalsContact O-N 3.13Å; E214-K217 VanDerWaalsContact O-CB 3.3Å; E214-K217 WeakPolarHBondContact O-CB 3.25Å; E214-K217 PolarHBondContact O-N 3.32Å; E214-K217 IonicContact OE1-NZ 2.78Å; E214-K217 IonicContact OE2-NZ 3.88Å; E214-K217 PolarHBondContact OE2-NZ 3.47Å
215R95.4Very high95.3Very high49 Ų4948.7 Ų48.719%0.18525%0.245CC..G310 helixtrans-62.6-26.2-170.3-57.2-168.9-167.21565.3114.8G210 Q211 K217 W218 E252G210-R215 PolarHBondContact O-NE 3.4Å; G210-R215 VanDerWaalsContact O-NE 3.07Å; Q211-R215 WeakPolarHBondContact O-CG 3.46Å; Q211-R215 PolarHBondContact O-N 3.18Å; R215-K217 PolarHBondContact O-N 2.97Å; R215-W218 HydrophobicContact CB-CD2 4.17Å; R215-W218 HydrophobicContact CB-CZ2 4.48Å; R215-W218 HydrophobicContact CG-CD2 4.41Å; R215-W218 HydrophobicContact CG-CH2 4.27Å; R215-W218 HydrophobicContact CG-CZ2 3.83Å; R215-W218 VanDerWaalsContact O-CB 3.29Å; R215-W218 WeakPolarHBondContact O-CB 3.45Å; R215-W218 VanDerWaalsContact O-CG 3.25Å; R215-W218 PolarHBondContact O-N 3.36Å; R215-W218 VanDerWaalsContact O-N 3.14Å; R215-E252 IonicContact CZ-OE1 2.61Å; R215-E252 VanDerWaalsContact CZ-OE1 3.24Å; R215-E252 IonicContact NH1-OE1 2.68Å; R215-E252 PolarHBondContact NH1-OE1 2.98Å; R215-E252 IonicContact NH2-OE1 3.72Å; R215-E252 PolarHBondContact NH2-OE1 3.43Å
216K94.4Very high95.1Very high187 Ų18750.2 Ų50.281%0.81325%0.254SS*.G310 helixtrans-60.3-27.1174.2-68.2-177.3179.9178.10112.3E214 W218 I219E214-K216 PolarHBondContact O-N 3.29Å; E214-K216 VanDerWaalsContact O-N 3.13Å; K216-W218 VanDerWaalsContact C-N 3.3Å; K216-I219 WeakPolarHBondContact O-CG2 3.45Å
217K95.7Very high95Very high80 Ų8049.1 Ų49.135%0.34825%0.249SC..G310 helixtrans-77.4-15.8-179.1-55.8175.4-174.4168.50112.6E214 R215 I219 H220E214-K217 VanDerWaalsContact O-CB 3.3Å; E214-K217 WeakPolarHBondContact O-CB 3.25Å; E214-K217 PolarHBondContact O-N 3.32Å; E214-K217 IonicContact OE1-NZ 2.78Å; E214-K217 IonicContact OE2-NZ 3.88Å; E214-K217 PolarHBondContact OE2-NZ 3.47Å; R215-K217 PolarHBondContact O-N 2.97Å; K217-I219 PolarHBondContact O-N 2.94Å; K217-H220 WeakPolarHBondContact O-CB 3.2Å; K217-H220 PolarHBondContact O-CD2 3.47Å; K217-H220 PolarHBondContact O-N 3.46Å
218W96.3Very high95Very high10 Ų1048.8 Ų48.84%0.03825%0.248CC..G310 helixtrans-60.6-34.1-175.2-672.6000113.3L46 V208 G209 R215 K216 H220 C221 F222 L256 I260L46-W218 HydrophobicContact CB-CH2 4.42Å; L46-W218 HydrophobicContact CB-CZ3 4.43Å; L46-W218 HydrophobicContact CD2-CD2 3.82Å; L46-W218 HydrophobicContact CD2-CE3 3.78Å; L46-W218 HydrophobicContact CD2-CG 4.29Å; L46-W218 HydrophobicContact CD2-CH2 4.25Å; L46-W218 HydrophobicContact CD2-CZ2 4.35Å; L46-W218 HydrophobicContact CD2-CZ3 4Å; V208-W218 VanDerWaalsContact CG2-CD1 3.47Å; V208-W218 HydrophobicContact CG2-CD2 4.29Å; V208-W218 HydrophobicContact CG2-CG 4.1Å; V208-W218 HydrophobicContact CG2-CZ2 4.34Å; V208-W218 VanDerWaalsContact CG2-NE1 3.26Å; G209-W218 PolarHBondContact O-NE1 3.07Å; R215-W218 HydrophobicContact CB-CD2 4.17Å; R215-W218 HydrophobicContact CB-CZ2 4.48Å; R215-W218 HydrophobicContact CG-CD2 4.41Å; R215-W218 HydrophobicContact CG-CH2 4.27Å; R215-W218 HydrophobicContact CG-CZ2 3.83Å; R215-W218 VanDerWaalsContact O-CB 3.29Å; R215-W218 WeakPolarHBondContact O-CB 3.45Å; R215-W218 VanDerWaalsContact O-CG 3.25Å; R215-W218 PolarHBondContact O-N 3.36Å; R215-W218 VanDerWaalsContact O-N 3.14Å; K216-W218 VanDerWaalsContact C-N 3.3Å; W218-H220 PolarHBondContact O-N 2.88Å; W218-C221 PolarHBondContact O-N 3.1Å; W218-F222 HydrophobicContact CB-CE1 3.78Å; W218-F222 HydrophobicContact CB-CZ 4.14Å; W218-F222 WeakPolarHBondContact O-CD1 3.39Å; W218-F222 VanDerWaalsContact O-CE1 3.26Å; W218-F222 WeakPolarHBondContact O-CE1 2.92Å; W218-L256 HydrophobicContact CH2-CD1 3.86Å; W218-L256 HydrophobicContact CH2-CD2 3.86Å; W218-L256 HydrophobicContact CH2-CG 4.16Å; W218-L256 HydrophobicContact CZ3-CD1 3.68Å; W218-L256 HydrophobicContact CZ3-CD2 4.47Å; W218-L256 HydrophobicContact CZ3-CG 4.28Å; W218-I260 HydrophobicContact CE3-CD1 4.16Å; W218-I260 HydrophobicContact CZ3-CD1 4.01Å; W218-I260 HydrophobicContact CZ3-CG1 4.28Å
219I93.4Very high95Very high78 Ų7848.8 Ų48.840%0.425%0.248SC..G310 helixtrans-56-27.5179.9-168.559.8000112.7K216 K217 C221 F222 W265K216-I219 WeakPolarHBondContact O-CG2 3.45Å; K217-I219 PolarHBondContact O-N 2.94Å; I219-C221 PolarHBondContact O-N 3.48Å; I219-F222 HydrophobicContact CD1-CB 4.36Å; I219-F222 HydrophobicContact CD1-CD2 3.59Å; I219-F222 HydrophobicContact CD1-CE2 4.16Å; I219-F222 HydrophobicContact CD1-CG 4.13Å; I219-F222 PolarHBondContact O-N 2.78Å; I219-W265 HydrophobicContact CD1-CZ2 4.36Å
220H93.9Very high95.1Very high148 Ų14848.7 Ų48.769%0.68525%0.247SC*.G310 helixtrans-68.7-10.6177.6-58.7-60.1000113.7I191 K217 W218I191-H220 HydrophobicContact CD1-CB 3.93Å; K217-H220 WeakPolarHBondContact O-CB 3.2Å; K217-H220 PolarHBondContact O-CD2 3.47Å; K217-H220 PolarHBondContact O-N 3.46Å; W218-H220 PolarHBondContact O-N 2.88Å
221C95.2Very high95.3Very high4 Ų448.6 Ų48.63%0.02725%0.246CC..G310 helixtrans-108.5-2.8178.6-59.70000113.8K42 L44 I191 W218 I219 E223 V225K42-C221 VanDerWaalsContact CE-O 3.3Å; K42-C221 WeakPolarHBondContact CE-O 3.43Å; K42-C221 PolarHBondContact NZ-O 3.06Å; L44-C221 HydrophobicContact CD1-CB 3.66Å; L44-C221 HydrophobicContact CD2-CB 4.33Å; I191-C221 VanDerWaalsContact CD1-SG 3.53Å; I191-C221 VanDerWaalsContact CG2-SG 3.51Å; W218-C221 PolarHBondContact O-N 3.1Å; I219-C221 PolarHBondContact O-N 3.48Å; C221-E223 PolarHBondContact O-N 3.24Å; C221-V225 WeakPolarHBondContact O-CG2 3.29Å
222F94.7Very high95.5Very high14 Ų1447.9 Ų47.96%0.06124%0.243CC..  trans-76.8-19.5-166.7-7816000114.5L44 W218 I219 I260 W265 F266L44-F222 HydrophobicContact CD2-CD1 3.83Å; L44-F222 HydrophobicContact CD2-CE1 3.97Å; W218-F222 HydrophobicContact CB-CE1 3.78Å; W218-F222 HydrophobicContact CB-CZ 4.14Å; W218-F222 WeakPolarHBondContact O-CD1 3.39Å; W218-F222 VanDerWaalsContact O-CE1 3.26Å; W218-F222 WeakPolarHBondContact O-CE1 2.92Å; I219-F222 HydrophobicContact CD1-CB 4.36Å; I219-F222 HydrophobicContact CD1-CD2 3.59Å; I219-F222 HydrophobicContact CD1-CE2 4.16Å; I219-F222 HydrophobicContact CD1-CG 4.13Å; I219-F222 PolarHBondContact O-N 2.78Å; F222-I260 HydrophobicContact CZ-CD1 4.21Å; F222-W265 HydrophobicContact CB-CB 4.36Å; F222-W265 HydrophobicContact CB-CD2 4.16Å; F222-W265 HydrophobicContact CB-CE3 4.16Å; F222-W265 HydrophobicContact CB-CG 4.26Å; F222-W265 HydrophobicContact CD2-CB 3.86Å; F222-W265 AromaticContact CD2-CD1 3.92Å; F222-W265 HydrophobicContact CD2-CD2 4.42Å; F222-W265 AromaticContact CD2-CG 3.79Å; F222-W265 HydrophobicContact CD2-CG 3.79Å; F222-F266 HydrophobicContact CB-CE1 4.15Å; F222-F266 HydrophobicContact CB-CZ 4.19Å; F222-F266 HydrophobicContact CD1-CE1 4.12Å; F222-F266 HydrophobicContact CD1-CE2 4.33Å; F222-F266 AromaticContact CD1-CZ 3.41Å; F222-F266 HydrophobicContact CD1-CZ 3.41Å; F222-F266 VanDerWaalsContact CD1-CZ 3.41Å; F222-F266 HydrophobicContact CD2-CE1 4.21Å; F222-F266 HydrophobicContact CD2-CE2 4.02Å; F222-F266 AromaticContact CD2-CZ 3.57Å; F222-F266 HydrophobicContact CD2-CZ 3.57Å; F222-F266 HydrophobicContact CE1-CE2 4.01Å; F222-F266 AromaticContact CE1-CZ 3.47Å; F222-F266 HydrophobicContact CE1-CZ 3.47Å; F222-F266 VanDerWaalsContact CE1-CZ 3.47Å; F222-F266 AromaticContact CE2-CE2 3.69Å; F222-F266 HydrophobicContact CE2-CE2 3.69Å; F222-F266 AromaticContact CE2-CZ 3.65Å; F222-F266 HydrophobicContact CE2-CZ 3.65Å; F222-F266 AromaticContact CG-CE1 3.91Å; F222-F266 HydrophobicContact CG-CE1 3.91Å; F222-F266 HydrophobicContact CG-CE2 4.33Å; F222-F266 AromaticContact CG-CZ 3.45Å; F222-F266 HydrophobicContact CG-CZ 3.45Å; F222-F266 VanDerWaalsContact CG-CZ 3.45Å; F222-F266 AromaticContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CE2 3.67Å; F222-F266 AromaticContact CZ-CZ 3.59Å; F222-F266 HydrophobicContact CZ-CZ 3.59Å
223E93.1Very high95.6Very high156 Ų15644.1 Ų44.173%0.72923%0.23SC*.THydrogen-bonded Turntrans-71.9135.9178.3-174.2173.8-165.600111.8K42 C221 V225K42-E223 PolarHBondContact NZ-O 3.47Å; C221-E223 PolarHBondContact O-N 3.24Å; E223-V225 VanDerWaalsContact C-N 3.28Å; E223-V225 PolarHBondContact O-N 2.65Å
224G91.2Very high95.8Very high62 Ų6240.8 Ų40.864%0.63921%0.206SC*.THydrogen-bonded Turntrans63.726171.700000115.2K42 T226K42-G224 WeakPolarHBondContact CB-O 3.39Å; K42-G224 WeakPolarHBondContact CD-O 3.46Å; G224-T226 PolarHBondContact O-N 2.96Å
225V95Very high95.9Very high13 Ų1340 Ų408%0.07920%0.202CC..  trans-74.4120.2177.8179.50000110K42 L44 C221 E223 A227 I228 F266 T269K42-V225 HydrophobicContact CD-CG2 4.34Å; L44-V225 HydrophobicContact CB-CG1 3.83Å; L44-V225 HydrophobicContact CB-CG2 4.19Å; L44-V225 HydrophobicContact CD2-CG2 4.02Å; C221-V225 WeakPolarHBondContact O-CG2 3.29Å; E223-V225 VanDerWaalsContact C-N 3.28Å; E223-V225 PolarHBondContact O-N 2.65Å; V225-A227 WeakPolarHBondContact CG1-O 3.48Å; V225-I228 HydrophobicContact CG1-CG1 3.93Å; V225-F266 HydrophobicContact CB-CE1 4.47Å; V225-F266 HydrophobicContact CG2-CE1 4.31Å; V225-T269 HydrophobicContact CB-CG2 4.24Å; V225-T269 HydrophobicContact CG1-CG2 3.76Å; V225-T269 PolarHBondContact O-OG1 3.13Å
226T93.2Very high96Very high32 Ų3238 Ų3820%0.19620%0.195CC..SBendtrans-72.7-48.7175.2-46.50000110.7V41 K42 G224 I351V41-T226 HydrophobicContact CG1-CG2 4.01Å; K42-T226 PolarHBondContact N-OG1 3.21Å; K42-T226 WeakPolarHBondContact O-CB 3.27Å; K42-T226 PolarHBondContact O-N 3.24Å; G224-T226 PolarHBondContact O-N 2.96Å; T226-I351 HydrophobicContact CG2-CG2 3.93Å
227A95.4Very high96.1Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-148.3149.8177.600000112.6K42 L43 L44 V225 S270 I272 I351K42-A227 PolarHBondContact O-N 3.37Å; L43-A227 WeakPolarHBondContact CA-O 3.43Å; L43-A227 HydrophobicContact CD2-CB 3.84Å; L44-A227 PolarHBondContact N-O 3.32Å; V225-A227 WeakPolarHBondContact CG1-O 3.48Å; A227-S270 CarbonylContact C-O 3.58Å; A227-S270 VanDerWaalsContact CA-O 3.29Å; A227-S270 WeakPolarHBondContact CA-O 3.44Å; A227-I272 HydrophobicContact CB-CD1 3.71Å; A227-I351 HydrophobicContact CB-CD1 4.08Å; A227-I351 HydrophobicContact CB-CG1 4.05Å
228I97.2Very high96.2Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-104.4130.6173-66.4167.2000108.6L44 L46 V225 F230 I260 F266 T269 S270 I271 I272L44-I228 HydrophobicContact CB-CG1 4.39Å; L44-I228 WeakPolarHBondContact O-CA 3.45Å; L46-I228 HydrophobicContact CB-CG2 4.31Å; L46-I228 HydrophobicContact CD1-CD1 4.32Å; L46-I228 HydrophobicContact CD1-CG2 3.96Å; L46-I228 HydrophobicContact CG-CG2 4.23Å; V225-I228 HydrophobicContact CG1-CG1 3.93Å; I228-F230 HydrophobicContact CG2-CB 4.39Å; I228-I260 HydrophobicContact CD1-CG2 4.07Å; I228-I260 HydrophobicContact CG2-CG2 4.41Å; I228-F266 HydrophobicContact CD1-CB 4.1Å; I228-F266 HydrophobicContact CD1-CD1 3.59Å; I228-F266 HydrophobicContact CD1-CD2 3.44Å; I228-F266 VanDerWaalsContact CD1-CD2 3.44Å; I228-F266 HydrophobicContact CD1-CE1 3.71Å; I228-F266 HydrophobicContact CD1-CE2 3.58Å; I228-F266 HydrophobicContact CD1-CG 3.44Å; I228-F266 VanDerWaalsContact CD1-CG 3.44Å; I228-F266 HydrophobicContact CD1-CZ 3.67Å; I228-F266 HydrophobicContact CG1-CE1 4.49Å; I228-T269 HydrophobicContact CD1-CG2 4.09Å; I228-T269 HydrophobicContact CG1-CG2 3.91Å; I228-S270 PolarHBondContact N-O 2.84Å; I228-I271 HydrophobicContact CB-CG1 4.34Å; I228-I271 HydrophobicContact CD1-CG1 4.49Å; I228-I272 PolarHBondContact O-N 2.63Å
229I98.1Very high96.2Very high0 Ų025.6 Ų25.60%014%0.142CC..EExtended strand (participates in β ladder)trans-102.5110.9163.3-59.2173.3000106.8L43 L44 L45 L46 I272 F274 V347L43-I229 HydrophobicContact CD1-CD1 4.29Å; L44-I229 PolarHBondContact O-N 3.34Å; L45-I229 WeakPolarHBondContact CA-O 3.34Å; L45-I229 HydrophobicContact CD2-CB 3.66Å; L45-I229 HydrophobicContact CD2-CD1 3.9Å; L45-I229 HydrophobicContact CD2-CG1 4.24Å; L45-I229 HydrophobicContact CD2-CG2 4.13Å; L46-I229 PolarHBondContact N-O 2.72Å; I229-I272 CarbonylContact C-O 3.57Å; I229-I272 WeakPolarHBondContact CA-O 3.36Å; I229-I272 HydrophobicContact CG1-CB 4.34Å; I229-I272 HydrophobicContact CG1-CD1 4.44Å; I229-F274 HydrophobicContact CD1-CZ 4.35Å; I229-F274 HydrophobicContact CG2-CB 4.37Å; I229-F274 HydrophobicContact CG2-CD1 3.99Å; I229-F274 HydrophobicContact CG2-CD2 3.53Å; I229-F274 HydrophobicContact CG2-CE1 4.11Å; I229-F274 HydrophobicContact CG2-CE2 3.65Å; I229-F274 HydrophobicContact CG2-CG 3.69Å; I229-F274 HydrophobicContact CG2-CZ 3.93Å; I229-V347 HydrophobicContact CD1-CG1 4.5Å
230F98.6Very high96.4Very high0 Ų024.3 Ų24.30%014%0.138CC..EExtended strand (participates in β ladder)trans-97.7115.3176.5-166.4-83.5000110.1L46 I228 V232 L256 F257 I260 I272 L273 F274L46-F230 HydrophobicContact CB-CD2 3.79Å; L46-F230 HydrophobicContact CB-CE2 4.28Å; L46-F230 CarbonylContact O-C 3.52Å; L46-F230 WeakPolarHBondContact O-CA 3.31Å; I228-F230 HydrophobicContact CG2-CB 4.39Å; F230-V232 HydrophobicContact CD1-CG2 3.84Å; F230-V232 HydrophobicContact CE1-CG2 3.84Å; F230-L256 HydrophobicContact CE2-CD2 4.45Å; F230-L256 HydrophobicContact CE2-CG 4.02Å; F230-L256 HydrophobicContact CZ-CB 4.12Å; F230-L256 HydrophobicContact CZ-CD2 4.12Å; F230-L256 HydrophobicContact CZ-CG 3.86Å; F230-F257 HydrophobicContact CB-CD2 3.96Å; F230-F257 HydrophobicContact CB-CE2 3.91Å; F230-F257 HydrophobicContact CD1-CB 4.33Å; F230-F257 AromaticContact CD1-CD2 3.45Å; F230-F257 HydrophobicContact CD1-CD2 3.45Å; F230-F257 VanDerWaalsContact CD1-CD2 3.45Å; F230-F257 HydrophobicContact CD1-CE2 4.14Å; F230-F257 HydrophobicContact CD1-CG 4.27Å; F230-F257 AromaticContact CD2-CD2 3.83Å; F230-F257 HydrophobicContact CD2-CD2 3.83Å; F230-F257 HydrophobicContact CE1-CB 3.77Å; F230-F257 AromaticContact CE1-CD2 3.79Å; F230-F257 HydrophobicContact CE1-CD2 3.79Å; F230-F257 HydrophobicContact CE1-CG 4.21Å; F230-F257 HydrophobicContact CE2-CB 4.35Å; F230-F257 HydrophobicContact CE2-CD2 4.13Å; F230-F257 AromaticContact CG-CD2 3.47Å; F230-F257 HydrophobicContact CG-CD2 3.47Å; F230-F257 VanDerWaalsContact CG-CD2 3.47Å; F230-F257 AromaticContact CG-CE2 3.95Å; F230-F257 HydrophobicContact CG-CE2 3.95Å; F230-F257 HydrophobicContact CZ-CB 3.78Å; F230-F257 HydrophobicContact CZ-CD2 4.11Å; F230-F257 HydrophobicContact CZ-CG 4.46Å; F230-I260 HydrophobicContact CD2-CB 4.4Å; F230-I260 HydrophobicContact CD2-CG1 4.42Å; F230-I260 HydrophobicContact CD2-CG2 4.31Å; F230-I260 HydrophobicContact CE2-CB 4.33Å; F230-I260 HydrophobicContact CE2-CG1 4.05Å; F230-I272 PolarHBondContact N-O 3.2Å; F230-L273 HydrophobicContact CD1-CD1 4.15Å; F230-F274 PolarHBondContact O-N 3.38Å
231C98.7Very high96.5Very high0 Ų017.7 Ų17.70%011%0.107CC..EExtended strand (participates in β ladder)trans-95.9126.8-178.2-56.50000111.6L46 S51 K53 I56L46-C231 PolarHBondContact O-N 3.18Å; S51-C231 WeakPolarHBondContact CB-O 3.41Å; S51-C231 WeakPolarHBondContact OG-CB 3.43Å; S51-C231 PolarHBondContact OG-O 3.18Å; S51-C231 VanDerWaalsContact OG-O 3.1Å; K53-C231 HydrophobicContact CG-CB 4.07Å; I56-C231 WeakPolarHBondContact CD1-SG 3.43Å
232V98.8Very high96.4Very high0 Ų020.6 Ų20.60%013%0.132CC..EExtended strand (participates in β ladder)trans-113.7128.3174-179.70000108.4F230 M234 M250 L273 F274 L275 N276 F314F230-V232 HydrophobicContact CD1-CG2 3.84Å; F230-V232 HydrophobicContact CE1-CG2 3.84Å; V232-M234 PolarHBondContact O-N 3.36Å; V232-M250 HydrophobicContact CG1-CE 4.22Å; V232-M250 HydrophobicContact CG1-SD 3.77Å; V232-L273 HydrophobicContact CG2-CD1 3.67Å; V232-F274 PolarHBondContact N-O 3.43Å; V232-L275 HydrophobicContact CB-CD2 4.03Å; V232-L275 HydrophobicContact CG1-CD2 4.32Å; V232-L275 HydrophobicContact CG2-CD2 4.25Å; V232-N276 WeakPolarHBondContact O-CA 3.48Å; V232-N276 WeakPolarHBondContact O-CB 3.4Å; V232-N276 PolarHBondContact O-N 3.42Å; V232-F314 HydrophobicContact CB-CZ 4.31Å; V232-F314 HydrophobicContact CG1-CE1 4.28Å; V232-F314 HydrophobicContact CG1-CE2 3.86Å; V232-F314 HydrophobicContact CG1-CZ 3.6Å; V232-F314 HydrophobicContact CG2-CD1 3.97Å; V232-F314 HydrophobicContact CG2-CE1 3.47Å; V232-F314 VanDerWaalsContact CG2-CE1 3.47Å; V232-F314 HydrophobicContact CG2-CE2 4.33Å; V232-F314 HydrophobicContact CG2-CZ 3.69Å
233A98.5Very high96.4Very high6 Ų624.1 Ų24.15%0.0515%0.148CC..EExtended strand (participates in β ladder)trans-82.8105.9169.100000109.7S235 E236 K277A233-S235 VanDerWaalsContact C-N 3.28Å; A233-S235 PolarHBondContact O-N 3.47Å; A233-E236 HydrophobicContact CB-CB 4.14Å; A233-E236 HydrophobicContact CB-CG 3.67Å; A233-E236 WeakPolarHBondContact CB-OE1 3.3Å; A233-E236 PolarHBondContact O-N 3.15Å; A233-K277 HydrophobicContact CB-CD 3.8Å; A233-K277 HydrophobicContact CB-CG 4.49Å
234M98.7Very high96.5Very high0 Ų018.7 Ų18.70%012%0.124CC..G310 helixtrans-62.1-38.5179.3-67.3-175.875.700112.2V232 E236 Y237 L275 N276 K278 F281 A307 I310 F331V232-M234 PolarHBondContact O-N 3.36Å; M234-E236 PolarHBondContact O-N 3.04Å; M234-E236 VanDerWaalsContact O-N 3.13Å; M234-Y237 WeakPolarHBondContact O-CD1 3.3Å; M234-L275 HydrophobicContact CG-CB 3.93Å; M234-L275 HydrophobicContact SD-CB 3.67Å; M234-N276 WeakPolarHBondContact CB-O 3.41Å; M234-N276 WeakPolarHBondContact CG-O 3.41Å; M234-N276 PolarHBondContact N-O 3.31Å; M234-K278 HydrophobicContact SD-CB 4.31Å; M234-F281 HydrophobicContact CB-CB 3.69Å; M234-F281 HydrophobicContact CB-CD1 4.45Å; M234-F281 HydrophobicContact CB-CD2 4.02Å; M234-F281 HydrophobicContact CB-CG 3.8Å; M234-F281 HydrophobicContact CE-CD1 3.63Å; M234-F281 HydrophobicContact CE-CE1 3.74Å; M234-F281 HydrophobicContact CE-CG 4.11Å; M234-F281 HydrophobicContact CE-CZ 4.3Å; M234-F281 WeakPolarHBondContact O-CD2 3.2Å; M234-A307 HydrophobicContact CE-CB 3.63Å; M234-I310 HydrophobicContact CE-CD1 4.06Å; M234-F331 HydrophobicContact CE-CD1 4.09Å; M234-F331 HydrophobicContact CE-CE1 3.81Å; M234-F331 HydrophobicContact SD-CD1 3.7Å; M234-F331 HydrophobicContact SD-CE1 3.98Å
235S97.9Very high96.6Very high0 Ų023.7 Ų23.70%013%0.131CC..G310 helixtrans-67.8-6.9-177.661.10000114.6A233 K277 K284A233-S235 VanDerWaalsContact C-N 3.28Å; A233-S235 PolarHBondContact O-N 3.47Å; S235-K277 WeakPolarHBondContact OG-CD 3.46Å; S235-K284 WeakPolarHBondContact O-CD 3.48Å; S235-K284 WeakPolarHBondContact O-CE 3.46Å; S235-K284 PolarHBondContact O-NZ 3.3Å
236E97.6Very high96.5Very high8 Ų832 Ų324%0.03717%0.169CC..G310 helixtrans-96.49.2-175.1-67.9179.5-15400113.6A233 M234 D238 M239 R249 K277A233-E236 HydrophobicContact CB-CB 4.14Å; A233-E236 HydrophobicContact CB-CG 3.67Å; A233-E236 WeakPolarHBondContact CB-OE1 3.3Å; A233-E236 PolarHBondContact O-N 3.15Å; M234-E236 PolarHBondContact O-N 3.04Å; M234-E236 VanDerWaalsContact O-N 3.13Å; E236-D238 PolarHBondContact O-N 2.73Å; E236-D238 VanDerWaalsContact O-N 3.15Å; E236-M239 HydrophobicContact CB-SD 4.41Å; E236-M239 HydrophobicContact CG-SD 4.04Å; E236-M239 PolarHBondContact O-N 3Å; E236-R249 HydrophobicContact CB-CB 3.99Å; E236-R249 VanDerWaalsContact CD-NH1 3.3Å; E236-R249 IonicContact OE1-NH1 2.81Å; E236-R249 WeakPolarHBondContact OE2-CD 3.45Å; E236-R249 IonicContact OE2-CZ 3.53Å; E236-R249 IonicContact OE2-NE 2.73Å; E236-R249 IonicContact OE2-NH1 2.68Å; E236-R249 PolarHBondContact OE2-NH1 3.38Å; E236-K277 IonicContact OE1-NZ 3.26Å; E236-K277 PolarHBondContact OE1-NZ 2.77Å
237Y97.9Very high96.7Very high0 Ų032.2 Ų32.20%017%0.169CC..THydrogen-bonded Turntrans-59.3-23.7179.372.6-85000114M234 N248 F281 K284 I285 R288 L290 C293M234-Y237 WeakPolarHBondContact O-CD1 3.3Å; Y237-N248 PolarHBondContact O-ND2 3.25Å; Y237-F281 AromaticContact CD1-CD2 3.79Å; Y237-F281 HydrophobicContact CD1-CD2 3.79Å; Y237-F281 AromaticContact CD1-CE2 3.79Å; Y237-F281 HydrophobicContact CD1-CE2 3.79Å; Y237-F281 AromaticContact CE1-CD2 3.74Å; Y237-F281 HydrophobicContact CE1-CD2 3.74Å; Y237-F281 AromaticContact CE1-CE2 3.8Å; Y237-F281 HydrophobicContact CE1-CE2 3.8Å; Y237-K284 HydrophobicContact CE1-CD 3.69Å; Y237-K284 HydrophobicContact CE1-CG 4.11Å; Y237-K284 PolarHBondContact OH-O 3.04Å; Y237-I285 HydrophobicContact CE2-CD1 4.37Å; Y237-I285 WeakPolarHBondContact OH-CA 3.19Å; Y237-R288 WeakPolarHBondContact CE2-O 3.37Å; Y237-R288 PolarHBondContact OH-O 3.4Å; Y237-L290 HydrophobicContact CD2-CD1 4Å; Y237-L290 HydrophobicContact CG-CD1 4.16Å; Y237-C293 WeakPolarHBondContact O-CB 3.37Å
238D96.9Very high96.9Very high8 Ų833.2 Ų33.24%0.04317%0.174CC..THydrogen-bonded Turntrans-106.217.7-176.370.5-35.1000113E236 K284 R288 I292E236-D238 PolarHBondContact O-N 2.73Å; E236-D238 VanDerWaalsContact O-N 3.15Å; D238-K284 WeakPolarHBondContact OD1-CD 3.15Å; D238-K284 IonicContact OD1-NZ 3.58Å; D238-K284 PolarHBondContact OD1-NZ 2.89Å; D238-K284 WeakPolarHBondContact OD2-CD 3.31Å; D238-K284 IonicContact OD2-NZ 2.95Å; D238-K284 PolarHBondContact OD2-NZ 3.24Å; D238-R288 VanDerWaalsContact CG-NH1 3.26Å; D238-R288 PolarHBondContact O-NH1 2.93Å; D238-R288 VanDerWaalsContact O-NH1 3.16Å; D238-R288 WeakPolarHBondContact OD2-CD 3.4Å; D238-R288 IonicContact OD2-CZ 2.71Å; D238-R288 IonicContact OD2-NE 3.27Å; D238-R288 IonicContact OD2-NH1 2.63Å; D238-R288 PolarHBondContact OD2-NH1 3.48Å; D238-I292 HydrophobicContact CB-CD1 4.24Å; D238-I292 HydrophobicContact CB-CG2 4.48Å
239M97.2Very high96.9Very high8 Ų833.9 Ų33.94%0.03918%0.176CC..  trans-123.9157.7-174.7-61-178.771.900112.2E236 N248 R249E236-M239 HydrophobicContact CB-SD 4.41Å; E236-M239 HydrophobicContact CG-SD 4.04Å; E236-M239 PolarHBondContact O-N 3Å; M239-N248 WeakPolarHBondContact O-CA 3.31Å; M239-N248 PolarHBondContact O-ND2 3.24Å; M239-R249 HydrophobicContact CB-CG 4.03Å; M239-R249 PolarHBondContact O-N 3.43Å
240V97Very high96.9Very high51 Ų5133.9 Ų33.931%0.30918%0.176SC..EExtended strand (participates in β ladder)trans-106.6158.3170.8-60.60000111.7Q154 E245 M247 R249Q154-V240 PolarHBondContact NE2-O 3.1Å; Q154-V240 VanDerWaalsContact NE2-O 3.12Å; V240-E245 WeakPolarHBondContact CG1-O 3.36Å; V240-M247 CarbonylContact C-O 3.56Å; V240-M247 VanDerWaalsContact CA-O 3.25Å; V240-M247 WeakPolarHBondContact CA-O 3.48Å; V240-R249 WeakPolarHBondContact O-CG 3.47Å; V240-R249 PolarHBondContact O-NE 2.92Å
241L96.2Very high96.9Very high9 Ų937 Ų375%0.04719%0.193CC..EExtended strand (participates in β ladder)trans-64144.9177.5-65174.5000110.5E243 D244 M247 R249 E252L241-E243 PolarHBondContact O-N 2.89Å; L241-D244 HydrophobicContact CB-CB 4.18Å; L241-D244 HydrophobicContact CD1-CB 4.26Å; L241-D244 PolarHBondContact N-O 3.14Å; L241-D244 CarbonylContact O-C 3.58Å; L241-D244 PolarHBondContact O-N 3.06Å; L241-M247 HydrophobicContact CD1-CB 3.83Å; L241-M247 HydrophobicContact CD1-CG 3.68Å; L241-M247 HydrophobicContact CG-CB 4.24Å; L241-M247 HydrophobicContact CG-CG 4.27Å; L241-M247 PolarHBondContact N-O 3.32Å; L241-R249 HydrophobicContact CD2-CB 4.4Å; L241-R249 HydrophobicContact CD2-CG 3.96Å; L241-R249 HydrophobicContact CG-CG 4.41Å; L241-E252 HydrophobicContact CD1-CB 3.98Å; L241-E252 HydrophobicContact CD1-CG 3.72Å; L241-E252 HydrophobicContact CD2-CB 4.24Å; L241-E252 HydrophobicContact CD2-CG 4.07Å; L241-E252 HydrophobicContact CG-CB 4.37Å; L241-E252 HydrophobicContact CG-CG 4.4Å
242A93.7Very high96.9Very high65 Ų6537.6 Ų37.654%0.53720%0.195SC..THydrogen-bonded Turntrans-67.3-27.2170.400000111.5Q154Q154-A242 HydrophobicContact CG-CB 4.35Å
243E94.2Very high96.8Very high88 Ų8837.9 Ų37.941%0.41120%0.197SC..THydrogen-bonded Turntrans-83.9-10.2177.2-54.8101130.100114.2Q211 R212 L241Q211-E243 WeakPolarHBondContact CA-OE1 3.36Å; Q211-E243 VanDerWaalsContact CB-OE1 3.22Å; Q211-E243 WeakPolarHBondContact CB-OE1 3.41Å; Q211-E243 WeakPolarHBondContact CG-OE1 3.39Å; R212-E243 PolarHBondContact N-OE1 2.87Å; L241-E243 PolarHBondContact O-N 2.89Å
244D94.7Very high96.8Very high42 Ų4238.8 Ų38.823%0.22520%0.202CC..EExtended strand (participates in β ladder)trans-163.798.9-171-176-11.7000110.4R212 L241 E246 M247R212-D244 IonicContact CZ-OD2 3.8Å; R212-D244 IonicContact NH1-OD2 3.74Å; R212-D244 PolarHBondContact NH1-OD2 3.12Å; R212-D244 IonicContact NH2-OD2 2.88Å; R212-D244 PolarHBondContact NH2-OD2 2.96Å; L241-D244 HydrophobicContact CB-CB 4.18Å; L241-D244 HydrophobicContact CD1-CB 4.26Å; L241-D244 PolarHBondContact N-O 3.14Å; L241-D244 CarbonylContact O-C 3.58Å; L241-D244 PolarHBondContact O-N 3.06Å; D244-E246 PolarHBondContact O-N 3.04Å; D244-E246 PolarHBondContact OD1-N 2.96Å; D244-M247 HydrophobicContact CB-CB 4.03Å; D244-M247 PolarHBondContact O-N 3.28Å; D244-M247 PolarHBondContact OD1-N 3.24Å; D244-M247 WeakPolarHBondContact OD2-CB 3.44Å
245E92.5Very high96.8Very high168 Ų16844.3 Ų44.379%0.78523%0.226SC*.EExtended strand (participates in β ladder)trans-70.5-7.5-173.9-64-176.117600113.9V240V240-E245 WeakPolarHBondContact CG1-O 3.36Å
246E94.8Very high96.8Very high187 Ų18745 Ų4587%0.87423%0.23SC*.EExtended strand (participates in β ladder)trans-97.9-16175.4-61.2-173.4160.500112.4D244D244-E246 PolarHBondContact O-N 3.04Å; D244-E246 PolarHBondContact OD1-N 2.96Å
247M97.1Very high96.9Very high37 Ų3744.6 Ų44.618%0.18223%0.228CC..EExtended strand (participates in β ladder)trans-94.8113.8-176-171.166.352.300111.8V240 L241 D244 R249 E252 K255V240-M247 CarbonylContact C-O 3.56Å; V240-M247 VanDerWaalsContact CA-O 3.25Å; V240-M247 WeakPolarHBondContact CA-O 3.48Å; L241-M247 HydrophobicContact CD1-CB 3.83Å; L241-M247 HydrophobicContact CD1-CG 3.68Å; L241-M247 HydrophobicContact CG-CB 4.24Å; L241-M247 HydrophobicContact CG-CG 4.27Å; L241-M247 PolarHBondContact N-O 3.32Å; D244-M247 HydrophobicContact CB-CB 4.03Å; D244-M247 PolarHBondContact O-N 3.28Å; D244-M247 PolarHBondContact OD1-N 3.24Å; D244-M247 WeakPolarHBondContact OD2-CB 3.44Å; M247-R249 PolarHBondContact O-N 2.7Å; M247-E252 HydrophobicContact CG-CB 3.95Å; M247-K255 PolarHBondContact SD-NZ 2.96Å
248N97.9Very high96.9Very high20 Ų2046.8 Ų46.811%0.10724%0.24CC..EExtended strand (participates in β ladder)trans-59.8133.3169.5-179.8-79.2000111.5Y237 M239 M250 L251 E252 C293Y237-N248 PolarHBondContact O-ND2 3.25Å; M239-N248 WeakPolarHBondContact O-CA 3.31Å; M239-N248 PolarHBondContact O-ND2 3.24Å; N248-M250 PolarHBondContact O-N 3.46Å; N248-M250 WeakPolarHBondContact OD1-CB 3.41Å; N248-M250 PolarHBondContact OD1-N 2.98Å; N248-L251 HydrophobicContact CB-CB 4.13Å; N248-L251 HydrophobicContact CB-CD1 3.98Å; N248-L251 HydrophobicContact CB-CG 3.97Å; N248-L251 PolarHBondContact O-N 3.33Å; N248-L251 PolarHBondContact OD1-N 3.24Å; N248-L251 VanDerWaalsContact OD1-N 3.1Å; N248-E252 PolarHBondContact O-N 3.13Å; N248-C293 PolarHBondContact OD1-SG 3.4Å
249R98Very high96.9Very high14 Ų1449.7 Ų49.75%0.05326%0.261CS..Hα-helixtrans-65-39.6-174.5-64.1-159.8176.1-167-1.2113.4E50 E236 M239 V240 L241 M247 E252 S253E50-R249 IonicContact OE2-CZ 3.67Å; E50-R249 IonicContact OE2-NH1 2.74Å; E50-R249 PolarHBondContact OE2-NH1 3.13Å; E50-R249 IonicContact OE2-NH2 2.65Å; E50-R249 PolarHBondContact OE2-NH2 3.11Å; E50-R249 VanDerWaalsContact OE2-NH2 3.07Å; E236-R249 HydrophobicContact CB-CB 3.99Å; E236-R249 VanDerWaalsContact CD-NH1 3.3Å; E236-R249 IonicContact OE1-NH1 2.81Å; E236-R249 WeakPolarHBondContact OE2-CD 3.45Å; E236-R249 IonicContact OE2-CZ 3.53Å; E236-R249 IonicContact OE2-NE 2.73Å; E236-R249 IonicContact OE2-NH1 2.68Å; E236-R249 PolarHBondContact OE2-NH1 3.38Å; M239-R249 HydrophobicContact CB-CG 4.03Å; M239-R249 PolarHBondContact O-N 3.43Å; V240-R249 WeakPolarHBondContact O-CG 3.47Å; V240-R249 PolarHBondContact O-NE 2.92Å; L241-R249 HydrophobicContact CD2-CB 4.4Å; L241-R249 HydrophobicContact CD2-CG 3.96Å; L241-R249 HydrophobicContact CG-CG 4.41Å; M247-R249 PolarHBondContact O-N 2.7Å; R249-E252 PolarHBondContact O-N 3.08Å; R249-S253 WeakPolarHBondContact O-CB 3.4Å; R249-S253 PolarHBondContact O-N 2.89Å
250M98.4Very high96.8Very high1 Ų149.6 Ų49.61%0.00526%0.26CS..Hα-helixtrans-68.1-42177.1178.869.678.200111V232 N248 E252 S253 T254 F294 I310 F314V232-M250 HydrophobicContact CG1-CE 4.22Å; V232-M250 HydrophobicContact CG1-SD 3.77Å; N248-M250 PolarHBondContact O-N 3.46Å; N248-M250 WeakPolarHBondContact OD1-CB 3.41Å; N248-M250 PolarHBondContact OD1-N 2.98Å; M250-E252 VanDerWaalsContact C-N 3.35Å; M250-E252 PolarHBondContact O-N 3.23Å; M250-S253 WeakPolarHBondContact O-CA 3.48Å; M250-S253 WeakPolarHBondContact O-CB 3.37Å; M250-S253 PolarHBondContact O-N 3.05Å; M250-S253 VanDerWaalsContact O-N 3.11Å; M250-T254 PolarHBondContact O-N 3.29Å; M250-T254 PolarHBondContact O-OG1 3.09Å; M250-F294 HydrophobicContact CG-CE2 4.07Å; M250-F294 HydrophobicContact CG-CZ 3.89Å; M250-I310 HydrophobicContact CE-CD1 4.09Å; M250-I310 HydrophobicContact CE-CG2 4.23Å; M250-I310 HydrophobicContact SD-CG2 4.46Å; M250-F314 HydrophobicContact SD-CE2 3.57Å; M250-F314 VanDerWaalsContact SD-CE2 3.57Å; M250-F314 HydrophobicContact SD-CZ 3.84Å
251L98.2Very high96.8Very high65 Ų6547.2 Ų47.234%0.3425%0.246SC..Hα-helixtrans-63.9-38175-63-175.9000112.6N248 S253 T254 K255 F294N248-L251 HydrophobicContact CB-CB 4.13Å; N248-L251 HydrophobicContact CB-CD1 3.98Å; N248-L251 HydrophobicContact CB-CG 3.97Å; N248-L251 PolarHBondContact O-N 3.33Å; N248-L251 PolarHBondContact OD1-N 3.24Å; N248-L251 VanDerWaalsContact OD1-N 3.1Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-T254 WeakPolarHBondContact O-CB 3.47Å; L251-T254 PolarHBondContact O-N 3.26Å; L251-K255 WeakPolarHBondContact O-CG 3.34Å; L251-K255 PolarHBondContact O-N 2.97Å; L251-F294 HydrophobicContact CD2-CE1 4.04Å
252E98.1Very high96.7Very high12 Ų1248.1 Ų48.16%0.05625%0.251CS..Hα-helixtrans-60.5-44.6169.9175.775.617600111.2R212 R215 L241 M247 N248 R249 M250 T254 K255 L256R212-E252 IonicContact CZ-OE1 3.24Å; R212-E252 IonicContact CZ-OE2 2.69Å; R212-E252 IonicContact NE-OE1 3.4Å; R212-E252 PolarHBondContact NE-OE1 3.34Å; R212-E252 VanDerWaalsContact NE-OE1 3.08Å; R212-E252 IonicContact NE-OE2 3.79Å; R212-E252 IonicContact NH2-OE1 3.56Å; R212-E252 IonicContact NH2-OE2 2.69Å; R212-E252 PolarHBondContact NH2-OE2 2.95Å; R215-E252 IonicContact CZ-OE1 2.61Å; R215-E252 VanDerWaalsContact CZ-OE1 3.24Å; R215-E252 IonicContact NH1-OE1 2.68Å; R215-E252 PolarHBondContact NH1-OE1 2.98Å; R215-E252 IonicContact NH2-OE1 3.72Å; R215-E252 PolarHBondContact NH2-OE1 3.43Å; L241-E252 HydrophobicContact CD1-CB 3.98Å; L241-E252 HydrophobicContact CD1-CG 3.72Å; L241-E252 HydrophobicContact CD2-CB 4.24Å; L241-E252 HydrophobicContact CD2-CG 4.07Å; L241-E252 HydrophobicContact CG-CB 4.37Å; L241-E252 HydrophobicContact CG-CG 4.4Å; M247-E252 HydrophobicContact CG-CB 3.95Å; N248-E252 PolarHBondContact O-N 3.13Å; R249-E252 PolarHBondContact O-N 3.08Å; M250-E252 VanDerWaalsContact C-N 3.35Å; M250-E252 PolarHBondContact O-N 3.23Å; E252-T254 VanDerWaalsContact C-N 3.33Å; E252-T254 PolarHBondContact O-N 2.9Å; E252-K255 PolarHBondContact O-N 3.38Å; E252-L256 WeakPolarHBondContact O-CB 2.95Å; E252-L256 PolarHBondContact O-N 3.05Å
253S98.5Very high96.8Very high6 Ų646.9 Ų46.94%0.04224%0.235CC..Hα-helixtrans-61.4-40.9178.1-170.20000112R249 M250 L251 L256 F257R249-S253 WeakPolarHBondContact O-CB 3.4Å; R249-S253 PolarHBondContact O-N 2.89Å; M250-S253 WeakPolarHBondContact O-CA 3.48Å; M250-S253 WeakPolarHBondContact O-CB 3.37Å; M250-S253 PolarHBondContact O-N 3.05Å; M250-S253 VanDerWaalsContact O-N 3.11Å; L251-S253 VanDerWaalsContact C-N 3.34Å; S253-L256 PolarHBondContact O-N 3.36Å; S253-F257 WeakPolarHBondContact O-CB 3.48Å; S253-F257 PolarHBondContact O-N 3.35Å
254T98.4Very high96.7Very high25 Ų2551.6 Ų51.615%0.15325%0.254CS..Hα-helixtrans-59.2-49.4173.3-61.70000111.5M250 L251 E252 L256 F257 D258 L317M250-T254 PolarHBondContact O-N 3.29Å; M250-T254 PolarHBondContact O-OG1 3.09Å; L251-T254 WeakPolarHBondContact O-CB 3.47Å; L251-T254 PolarHBondContact O-N 3.26Å; E252-T254 VanDerWaalsContact C-N 3.33Å; E252-T254 PolarHBondContact O-N 2.9Å; T254-L256 VanDerWaalsContact C-N 3.32Å; T254-L256 PolarHBondContact O-N 2.9Å; T254-F257 PolarHBondContact O-N 3.35Å; T254-D258 PolarHBondContact O-N 2.71Å; T254-L317 HydrophobicContact CG2-CD1 3.64Å; T254-L317 HydrophobicContact CG2-CD2 4.2Å; T254-L317 HydrophobicContact CG2-CG 4.44Å; T254-L317 WeakPolarHBondContact O-CD1 3.39Å
255K98.1Very high96.7Very high117 Ų11756.7 Ų56.751%0.50927%0.27SS..Hα-helixtrans-60.9-41.8176.7-70.8171.4-176.2172.50111.9M247 L251 E252 S259M247-K255 PolarHBondContact SD-NZ 2.96Å; L251-K255 WeakPolarHBondContact O-CG 3.34Å; L251-K255 PolarHBondContact O-N 2.97Å; E252-K255 PolarHBondContact O-N 3.38Å; K255-S259 PolarHBondContact O-N 3.13Å
256L97.9Very high96.7Very high13 Ų1348.7 Ų48.77%0.06823%0.233CC..Hα-helixtrans-64.8-42.6178.2-174.358.3000111.2A48 W218 F230 E252 S253 T254 S259 I260A48-L256 HydrophobicContact CB-CD2 4.35Å; W218-L256 HydrophobicContact CH2-CD1 3.86Å; W218-L256 HydrophobicContact CH2-CD2 3.86Å; W218-L256 HydrophobicContact CH2-CG 4.16Å; W218-L256 HydrophobicContact CZ3-CD1 3.68Å; W218-L256 HydrophobicContact CZ3-CD2 4.47Å; W218-L256 HydrophobicContact CZ3-CG 4.28Å; F230-L256 HydrophobicContact CE2-CD2 4.45Å; F230-L256 HydrophobicContact CE2-CG 4.02Å; F230-L256 HydrophobicContact CZ-CB 4.12Å; F230-L256 HydrophobicContact CZ-CD2 4.12Å; F230-L256 HydrophobicContact CZ-CG 3.86Å; E252-L256 WeakPolarHBondContact O-CB 2.95Å; E252-L256 PolarHBondContact O-N 3.05Å; S253-L256 PolarHBondContact O-N 3.36Å; T254-L256 VanDerWaalsContact C-N 3.32Å; T254-L256 PolarHBondContact O-N 2.9Å; L256-S259 PolarHBondContact O-N 2.83Å; L256-I260 WeakPolarHBondContact O-CG1 3.35Å; L256-I260 PolarHBondContact O-N 3.48Å; L256-I260 VanDerWaalsContact O-N 3.13Å
257F98.4Very high96.6Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-64.3-46176.8-172.3-111.4000112.1F230 S253 T254 S259 I260 C261 I271 L273 F314 L317 I327F230-F257 HydrophobicContact CB-CD2 3.96Å; F230-F257 HydrophobicContact CB-CE2 3.91Å; F230-F257 HydrophobicContact CD1-CB 4.33Å; F230-F257 AromaticContact CD1-CD2 3.45Å; F230-F257 HydrophobicContact CD1-CD2 3.45Å; F230-F257 VanDerWaalsContact CD1-CD2 3.45Å; F230-F257 HydrophobicContact CD1-CE2 4.14Å; F230-F257 HydrophobicContact CD1-CG 4.27Å; F230-F257 AromaticContact CD2-CD2 3.83Å; F230-F257 HydrophobicContact CD2-CD2 3.83Å; F230-F257 HydrophobicContact CE1-CB 3.77Å; F230-F257 AromaticContact CE1-CD2 3.79Å; F230-F257 HydrophobicContact CE1-CD2 3.79Å; F230-F257 HydrophobicContact CE1-CG 4.21Å; F230-F257 HydrophobicContact CE2-CB 4.35Å; F230-F257 HydrophobicContact CE2-CD2 4.13Å; F230-F257 AromaticContact CG-CD2 3.47Å; F230-F257 HydrophobicContact CG-CD2 3.47Å; F230-F257 VanDerWaalsContact CG-CD2 3.47Å; F230-F257 AromaticContact CG-CE2 3.95Å; F230-F257 HydrophobicContact CG-CE2 3.95Å; F230-F257 HydrophobicContact CZ-CB 3.78Å; F230-F257 HydrophobicContact CZ-CD2 4.11Å; F230-F257 HydrophobicContact CZ-CG 4.46Å; S253-F257 WeakPolarHBondContact O-CB 3.48Å; S253-F257 PolarHBondContact O-N 3.35Å; T254-F257 PolarHBondContact O-N 3.35Å; F257-S259 PolarHBondContact O-N 3.06Å; F257-I260 PolarHBondContact O-N 3.31Å; F257-C261 HydrophobicContact CD1-CB 4.43Å; F257-C261 HydrophobicContact CE1-CB 4.08Å; F257-C261 HydrophobicContact CE2-CB 4.28Å; F257-C261 HydrophobicContact CZ-CB 4.01Å; F257-C261 PolarHBondContact O-N 2.94Å; F257-C261 PolarHBondContact O-SG 3.41Å; F257-I271 HydrophobicContact CE2-CG2 3.99Å; F257-I271 HydrophobicContact CZ-CG2 4.2Å; F257-L273 HydrophobicContact CD2-CD1 4.37Å; F257-L273 HydrophobicContact CE2-CD1 4.03Å; F257-L273 HydrophobicContact CZ-CD1 4.28Å; F257-F314 HydrophobicContact CB-CD1 3.82Å; F257-F314 HydrophobicContact CB-CE1 3.83Å; F257-F314 HydrophobicContact CD1-CB 4.4Å; F257-F314 AromaticContact CD1-CD1 3.71Å; F257-F314 HydrophobicContact CD1-CD1 3.71Å; F257-F314 HydrophobicContact CE1-CB 4.4Å; F257-F314 HydrophobicContact CE1-CD1 4.38Å; F257-F314 WeakPolarHBondContact CE1-O 3.24Å; F257-F314 AromaticContact CG-CD1 3.76Å; F257-F314 HydrophobicContact CG-CD1 3.76Å; F257-F314 HydrophobicContact CG-CE1 4.26Å; F257-L317 HydrophobicContact CB-CD1 4.32Å; F257-L317 HydrophobicContact CD1-CB 4.2Å; F257-L317 HydrophobicContact CD1-CD1 3.81Å; F257-I327 HydrophobicContact CE1-CD1 3.63Å; F257-I327 HydrophobicContact CZ-CD1 3.52Å; F257-I327 HydrophobicContact CZ-CG1 4.25Å; F257-I327 HydrophobicContact CZ-CG2 4.33Å
258D98Very high96.2Very high46 Ų4647.4 Ų47.425%0.24624%0.235CC..Hα-helixtrans-54-41.7175.8-178.552.5000111.8T254 N262 L317 K319T254-D258 PolarHBondContact O-N 2.71Å; D258-N262 WeakPolarHBondContact O-CB 3.4Å; D258-N262 PolarHBondContact O-N 3.39Å; D258-N262 PolarHBondContact O-ND2 2.75Å; D258-N262 PolarHBondContact OD1-ND2 3.43Å; D258-L317 HydrophobicContact CB-CB 4.4Å; D258-L317 HydrophobicContact CB-CD1 4.31Å; D258-L317 HydrophobicContact CB-CD2 4.24Å; D258-K319 VanDerWaalsContact OD1-CE 3.27Å; D258-K319 WeakPolarHBondContact OD1-CE 3.2Å; D258-K319 IonicContact OD1-NZ 2.74Å; D258-K319 PolarHBondContact OD1-NZ 3.49Å; D258-K319 IonicContact OD2-NZ 2.75Å; D258-K319 PolarHBondContact OD2-NZ 2.86Å
259S96.9Very high95.9Very high70 Ų7047 Ų4749%0.4923%0.234SC..Hα-helixtrans-66.5-35.2177.3176.80000113.3K255 L256 F257 N263K255-S259 PolarHBondContact O-N 3.13Å; L256-S259 PolarHBondContact O-N 2.83Å; F257-S259 PolarHBondContact O-N 3.06Å; S259-N263 WeakPolarHBondContact O-CB 3.36Å; S259-N263 PolarHBondContact O-N 3.38Å
260I96.5Very high95.6Very high5 Ų547 Ų473%0.02624%0.236CC..Hα-helixtrans-81.7-51.3-178.7-67-55.8000111L46 W218 F222 I228 F230 L256 F257 N262 N263 F266L46-I260 HydrophobicContact CD1-CD1 3.85Å; L46-I260 HydrophobicContact CD1-CG1 4.1Å; L46-I260 HydrophobicContact CD1-CG2 3.77Å; W218-I260 HydrophobicContact CE3-CD1 4.16Å; W218-I260 HydrophobicContact CZ3-CD1 4.01Å; W218-I260 HydrophobicContact CZ3-CG1 4.28Å; F222-I260 HydrophobicContact CZ-CD1 4.21Å; I228-I260 HydrophobicContact CD1-CG2 4.07Å; I228-I260 HydrophobicContact CG2-CG2 4.41Å; F230-I260 HydrophobicContact CD2-CB 4.4Å; F230-I260 HydrophobicContact CD2-CG1 4.42Å; F230-I260 HydrophobicContact CD2-CG2 4.31Å; F230-I260 HydrophobicContact CE2-CB 4.33Å; F230-I260 HydrophobicContact CE2-CG1 4.05Å; L256-I260 WeakPolarHBondContact O-CG1 3.35Å; L256-I260 PolarHBondContact O-N 3.48Å; L256-I260 VanDerWaalsContact O-N 3.13Å; F257-I260 PolarHBondContact O-N 3.31Å; I260-N262 PolarHBondContact O-N 3.45Å; I260-N263 VanDerWaalsContact O-CB 3.28Å; I260-N263 WeakPolarHBondContact O-CB 3.21Å; I260-N263 PolarHBondContact O-N 2.95Å; I260-F266 HydrophobicContact CD1-CE2 4.26Å; I260-F266 HydrophobicContact CG2-CD2 4.15Å; I260-F266 HydrophobicContact CG2-CE2 4.15Å
261C95.8Very high95.5Very high1 Ų147 Ų471%0.00724%0.236CC..Hα-helixtrans-65.1-29.4-173.271.20000112.7F257 I271 R320F257-C261 HydrophobicContact CD1-CB 4.43Å; F257-C261 HydrophobicContact CE1-CB 4.08Å; F257-C261 HydrophobicContact CE2-CB 4.28Å; F257-C261 HydrophobicContact CZ-CB 4.01Å; F257-C261 PolarHBondContact O-N 2.94Å; F257-C261 PolarHBondContact O-SG 3.41Å; C261-I271 VanDerWaalsContact CA-CD1 3.47Å; C261-I271 HydrophobicContact CB-CD1 3.8Å; C261-R320 PolarHBondContact O-NH1 2.63Å
262N95.6Very high95.4Very high28 Ų2843.9 Ų43.915%0.1522%0.219CC..THydrogen-bonded Turntrans-96.61.7177.4-60.5-58.4000114D258 I260 L317 K319 R320D258-N262 WeakPolarHBondContact O-CB 3.4Å; D258-N262 PolarHBondContact O-N 3.39Å; D258-N262 PolarHBondContact O-ND2 2.75Å; D258-N262 PolarHBondContact OD1-ND2 3.43Å; I260-N262 PolarHBondContact O-N 3.45Å; N262-L317 PolarHBondContact ND2-O 3.34Å; N262-K319 HydrophobicContact CB-CD 4.49Å; N262-K319 WeakPolarHBondContact OD1-CB 3.4Å; N262-K319 PolarHBondContact OD1-N 3.01Å; N262-K319 VanDerWaalsContact OD1-N 3.07Å; N262-R320 PolarHBondContact O-NH2 3.12Å
263N94.3Very high95.4Very high40 Ų4043.3 Ų43.321%0.21422%0.217CC..  trans-61.5144.9-179.8-157.3-56.5000111.7S259 I260 W265 F266S259-N263 WeakPolarHBondContact O-CB 3.36Å; S259-N263 PolarHBondContact O-N 3.38Å; I260-N263 VanDerWaalsContact O-CB 3.28Å; I260-N263 WeakPolarHBondContact O-CB 3.21Å; I260-N263 PolarHBondContact O-N 2.95Å; N263-W265 VanDerWaalsContact C-N 3.32Å; N263-W265 PolarHBondContact OD1-N 3.01Å; N263-F266 HydrophobicContact CB-CD2 3.71Å; N263-F266 HydrophobicContact CB-CE2 4.34Å; N263-F266 HydrophobicContact CB-CG 4.48Å; N263-F266 PolarHBondContact O-N 2.95Å
264K93.6Very high95.4Very high187 Ų18743.1 Ų43.181%0.81322%0.215SC*.G310 helixtrans-70.5-26.1177.1-66.5-175.4179.5-1790113.2F266 V267K264-F266 PolarHBondContact O-N 3.16Å; K264-V267 WeakPolarHBondContact O-CG2 3.35Å
265W93.7Very high95.5Very high148 Ų14842 Ų4256%0.56121%0.208SC*.G310 helixtrans-65.9-21.1173.9-77.796.6000113.1I219 F222 N263I219-W265 HydrophobicContact CD1-CZ2 4.36Å; F222-W265 HydrophobicContact CB-CB 4.36Å; F222-W265 HydrophobicContact CB-CD2 4.16Å; F222-W265 HydrophobicContact CB-CE3 4.16Å; F222-W265 HydrophobicContact CB-CG 4.26Å; F222-W265 HydrophobicContact CD2-CB 3.86Å; F222-W265 AromaticContact CD2-CD1 3.92Å; F222-W265 HydrophobicContact CD2-CD2 4.42Å; F222-W265 AromaticContact CD2-CG 3.79Å; F222-W265 HydrophobicContact CD2-CG 3.79Å; N263-W265 VanDerWaalsContact C-N 3.32Å; N263-W265 PolarHBondContact OD1-N 3.01Å
266F93.7Very high95.5Very high0 Ų036.5 Ų36.50%018%0.184CC..G310 helixtrans-119.830.2-170.6-54.8-44.4000112.1L44 L46 F222 V225 I228 I260 N263 K264 T269 K325L44-F266 HydrophobicContact CD2-CZ 4.13Å; L46-F266 HydrophobicContact CD1-CE2 4.4Å; F222-F266 HydrophobicContact CB-CE1 4.15Å; F222-F266 HydrophobicContact CB-CZ 4.19Å; F222-F266 HydrophobicContact CD1-CE1 4.12Å; F222-F266 HydrophobicContact CD1-CE2 4.33Å; F222-F266 AromaticContact CD1-CZ 3.41Å; F222-F266 HydrophobicContact CD1-CZ 3.41Å; F222-F266 VanDerWaalsContact CD1-CZ 3.41Å; F222-F266 HydrophobicContact CD2-CE1 4.21Å; F222-F266 HydrophobicContact CD2-CE2 4.02Å; F222-F266 AromaticContact CD2-CZ 3.57Å; F222-F266 HydrophobicContact CD2-CZ 3.57Å; F222-F266 HydrophobicContact CE1-CE2 4.01Å; F222-F266 AromaticContact CE1-CZ 3.47Å; F222-F266 HydrophobicContact CE1-CZ 3.47Å; F222-F266 VanDerWaalsContact CE1-CZ 3.47Å; F222-F266 AromaticContact CE2-CE2 3.69Å; F222-F266 HydrophobicContact CE2-CE2 3.69Å; F222-F266 AromaticContact CE2-CZ 3.65Å; F222-F266 HydrophobicContact CE2-CZ 3.65Å; F222-F266 AromaticContact CG-CE1 3.91Å; F222-F266 HydrophobicContact CG-CE1 3.91Å; F222-F266 HydrophobicContact CG-CE2 4.33Å; F222-F266 AromaticContact CG-CZ 3.45Å; F222-F266 HydrophobicContact CG-CZ 3.45Å; F222-F266 VanDerWaalsContact CG-CZ 3.45Å; F222-F266 AromaticContact CZ-CE2 3.67Å; F222-F266 HydrophobicContact CZ-CE2 3.67Å; F222-F266 AromaticContact CZ-CZ 3.59Å; F222-F266 HydrophobicContact CZ-CZ 3.59Å; V225-F266 HydrophobicContact CB-CE1 4.47Å; V225-F266 HydrophobicContact CG2-CE1 4.31Å; I228-F266 HydrophobicContact CD1-CB 4.1Å; I228-F266 HydrophobicContact CD1-CD1 3.59Å; I228-F266 HydrophobicContact CD1-CD2 3.44Å; I228-F266 VanDerWaalsContact CD1-CD2 3.44Å; I228-F266 HydrophobicContact CD1-CE1 3.71Å; I228-F266 HydrophobicContact CD1-CE2 3.58Å; I228-F266 HydrophobicContact CD1-CG 3.44Å; I228-F266 VanDerWaalsContact CD1-CG 3.44Å; I228-F266 HydrophobicContact CD1-CZ 3.67Å; I228-F266 HydrophobicContact CG1-CE1 4.49Å; I260-F266 HydrophobicContact CD1-CE2 4.26Å; I260-F266 HydrophobicContact CG2-CD2 4.15Å; I260-F266 HydrophobicContact CG2-CE2 4.15Å; N263-F266 HydrophobicContact CB-CD2 3.71Å; N263-F266 HydrophobicContact CB-CE2 4.34Å; N263-F266 HydrophobicContact CB-CG 4.48Å; N263-F266 PolarHBondContact O-N 2.95Å; K264-F266 PolarHBondContact O-N 3.16Å; F266-T269 HydrophobicContact CD1-CG2 4.37Å; F266-K325 PolarHBondContact O-NZ 3.48Å
267V90.9Very high95.5Very high61 Ų6136.9 Ų36.937%0.3719%0.185SC..SBendtrans-60.1-51.3179.6174.50000110K264K264-V267 WeakPolarHBondContact O-CG2 3.35Å
268D88.5Confident95.5Very high136 Ų13639.7 Ų39.773%0.72720%0.198SC*.SBendtrans-96.58.7-177.1-50.5-52.4000113.3
269T92Very high95.5Very high13 Ų1340.3 Ų40.38%0.0820%0.201CC..  trans-90.6123.6179.8-54.80000110.6V225 I228 F266 K325V225-T269 HydrophobicContact CB-CG2 4.24Å; V225-T269 HydrophobicContact CG1-CG2 3.76Å; V225-T269 PolarHBondContact O-OG1 3.13Å; I228-T269 HydrophobicContact CD1-CG2 4.09Å; I228-T269 HydrophobicContact CG1-CG2 3.91Å; F266-T269 HydrophobicContact CD1-CG2 4.37Å; T269-K325 WeakPolarHBondContact O-CE 3.45Å; T269-K325 PolarHBondContact O-NZ 3.06Å
270S92.4Very high95.5Very high14 Ų1439 Ų3910%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-56.3133.7171.2-86.30000111.6A227 I228 D354A227-S270 CarbonylContact C-O 3.58Å; A227-S270 VanDerWaalsContact CA-O 3.29Å; A227-S270 WeakPolarHBondContact CA-O 3.44Å; I228-S270 PolarHBondContact N-O 2.84Å; S270-D354 PolarHBondContact OG-OD2 3.19Å
271I95.5Very high95.6Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-118.6124.6178.7-65.1-175.1000110.2I228 F257 C261 K325 I327 Y328I228-I271 HydrophobicContact CB-CG1 4.34Å; I228-I271 HydrophobicContact CD1-CG1 4.49Å; F257-I271 HydrophobicContact CE2-CG2 3.99Å; F257-I271 HydrophobicContact CZ-CG2 4.2Å; C261-I271 VanDerWaalsContact CA-CD1 3.47Å; C261-I271 HydrophobicContact CB-CD1 3.8Å; I271-K325 VanDerWaalsContact CD1-CE 3.42Å; I271-K325 VanDerWaalsContact CG1-CE 3.49Å; I271-I327 HydrophobicContact CG2-CG1 4.4Å; I271-Y328 PolarHBondContact O-N 3.21Å
272I97.2Very high95.7Very high0 Ų043.9 Ų43.90%021%0.211CC..EExtended strand (participates in β ladder)trans-109.3126172.7-56.294.8000108A227 I228 I229 F230 F274 Y328 V347A227-I272 HydrophobicContact CB-CD1 3.71Å; I228-I272 PolarHBondContact O-N 2.63Å; I229-I272 CarbonylContact C-O 3.57Å; I229-I272 WeakPolarHBondContact CA-O 3.36Å; I229-I272 HydrophobicContact CG1-CB 4.34Å; I229-I272 HydrophobicContact CG1-CD1 4.44Å; F230-I272 PolarHBondContact N-O 3.2Å; I272-F274 HydrophobicContact CG2-CD1 3.72Å; I272-F274 HydrophobicContact CG2-CE1 3.44Å; I272-F274 VanDerWaalsContact CG2-CE1 3.44Å; I272-Y328 CarbonylContact C-O 3.42Å; I272-Y328 VanDerWaalsContact CA-O 3.31Å; I272-Y328 WeakPolarHBondContact CA-O 3.44Å; I272-Y328 WeakPolarHBondContact CG2-O 3.44Å; I272-V347 HydrophobicContact CB-CG2 4.49Å; I272-V347 HydrophobicContact CD1-CG1 4.05Å; I272-V347 HydrophobicContact CG1-CG1 4.1Å; I272-V347 HydrophobicContact CG1-CG2 4.19Å; I272-V347 HydrophobicContact CG2-CG2 3.68Å
273L98.3Very high95.7Very high0 Ų047.7 Ų47.70%023%0.228CC..EExtended strand (participates in β ladder)trans-100114.2177.417764.5000109.6F230 V232 F257 L275 F314 I327 Y328 T329 H330F230-L273 HydrophobicContact CD1-CD1 4.15Å; V232-L273 HydrophobicContact CG2-CD1 3.67Å; F257-L273 HydrophobicContact CD2-CD1 4.37Å; F257-L273 HydrophobicContact CE2-CD1 4.03Å; F257-L273 HydrophobicContact CZ-CD1 4.28Å; L273-L275 HydrophobicContact CD1-CD2 4.25Å; L273-L275 HydrophobicContact CD2-CD2 4.01Å; L273-L275 HydrophobicContact CD2-CG 4.33Å; L273-L275 HydrophobicContact CG-CD2 4.01Å; L273-L275 HydrophobicContact CG-CG 4.23Å; L273-F314 HydrophobicContact CD1-CD1 4.19Å; L273-F314 HydrophobicContact CD2-CB 3.49Å; L273-F314 VanDerWaalsContact CD2-CB 3.49Å; L273-F314 HydrophobicContact CD2-CG 4.17Å; L273-I327 HydrophobicContact CB-CG2 3.57Å; L273-I327 HydrophobicContact CD2-CG2 4.34Å; L273-Y328 PolarHBondContact N-O 2.88Å; L273-T329 HydrophobicContact CB-CG2 4.35Å; L273-T329 HydrophobicContact CD2-CG2 3.96Å; L273-T329 HydrophobicContact CG-CG2 4.19Å; L273-T329 CarbonylContact O-C 3.59Å; L273-T329 WeakPolarHBondContact O-CA 3.39Å; L273-H330 PolarHBondContact O-N 3Å
274F98.7Very high95.8Very high2 Ų246.9 Ų46.91%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-95.4107.1171.6-79.711.2000109.7I56 I229 F230 V232 I272 N276 H330 T332 V343 V347I56-F274 HydrophobicContact CD1-CD2 3.58Å; I56-F274 HydrophobicContact CD1-CE2 3.9Å; I56-F274 HydrophobicContact CG1-CD2 4.5Å; I56-F274 HydrophobicContact CG1-CE2 4.49Å; I229-F274 HydrophobicContact CD1-CZ 4.35Å; I229-F274 HydrophobicContact CG2-CB 4.37Å; I229-F274 HydrophobicContact CG2-CD1 3.99Å; I229-F274 HydrophobicContact CG2-CD2 3.53Å; I229-F274 HydrophobicContact CG2-CE1 4.11Å; I229-F274 HydrophobicContact CG2-CE2 3.65Å; I229-F274 HydrophobicContact CG2-CG 3.69Å; I229-F274 HydrophobicContact CG2-CZ 3.93Å; F230-F274 PolarHBondContact O-N 3.38Å; V232-F274 PolarHBondContact N-O 3.43Å; I272-F274 HydrophobicContact CG2-CD1 3.72Å; I272-F274 HydrophobicContact CG2-CE1 3.44Å; I272-F274 VanDerWaalsContact CG2-CE1 3.44Å; F274-N276 PolarHBondContact O-N 3.03Å; F274-H330 WeakPolarHBondContact CA-O 3.46Å; F274-H330 HydrophobicContact CD1-CB 4.14Å; F274-H330 HydrophobicContact CE1-CB 4.26Å; F274-T332 HydrophobicContact CB-CG2 4.43Å; F274-T332 HydrophobicContact CD1-CG2 4.21Å; F274-T332 HydrophobicContact CD2-CG2 3.97Å; F274-T332 HydrophobicContact CE1-CG2 4.47Å; F274-T332 HydrophobicContact CE2-CG2 4.28Å; F274-T332 HydrophobicContact CG-CG2 3.96Å; F274-V343 HydrophobicContact CD1-CG1 4.29Å; F274-V343 HydrophobicContact CE1-CG1 3.41Å; F274-V343 VanDerWaalsContact CE1-CG1 3.41Å; F274-V343 HydrophobicContact CE2-CG1 4.35Å; F274-V343 HydrophobicContact CZ-CG1 3.47Å; F274-V343 VanDerWaalsContact CZ-CG1 3.47Å; F274-V347 HydrophobicContact CE1-CG2 3.9Å; F274-V347 HydrophobicContact CZ-CG2 4.1Å
275L98.8Very high96Very high0 Ų038.1 Ų38.10%018%0.184CC..EExtended strand (participates in β ladder)trans-83.186.9167.2-60.8-179.4000107.6V232 M234 L273 I310 Q311 F314 T329 H330 F331 T332V232-L275 HydrophobicContact CB-CD2 4.03Å; V232-L275 HydrophobicContact CG1-CD2 4.32Å; V232-L275 HydrophobicContact CG2-CD2 4.25Å; M234-L275 HydrophobicContact CG-CB 3.93Å; M234-L275 HydrophobicContact SD-CB 3.67Å; L273-L275 HydrophobicContact CD1-CD2 4.25Å; L273-L275 HydrophobicContact CD2-CD2 4.01Å; L273-L275 HydrophobicContact CD2-CG 4.33Å; L273-L275 HydrophobicContact CG-CD2 4.01Å; L273-L275 HydrophobicContact CG-CG 4.23Å; L275-I310 HydrophobicContact CD2-CG2 4.22Å; L275-Q311 HydrophobicContact CD1-CB 3.69Å; L275-Q311 HydrophobicContact CD1-CG 4.34Å; L275-F314 HydrophobicContact CD2-CD2 4.41Å; L275-T329 HydrophobicContact CD1-CG2 3.57Å; L275-T329 HydrophobicContact CG-CG2 3.85Å; L275-H330 PolarHBondContact N-O 2.92Å; L275-F331 HydrophobicContact CB-CD1 3.79Å; L275-F331 HydrophobicContact CB-CE1 4.02Å; L275-F331 HydrophobicContact CD1-CD1 4.04Å; L275-F331 HydrophobicContact CD1-CE1 3.42Å; L275-F331 VanDerWaalsContact CD1-CE1 3.42Å; L275-F331 HydrophobicContact CD1-CZ 3.77Å; L275-F331 HydrophobicContact CG-CE1 4.37Å; L275-F331 CarbonylContact O-C 3.55Å; L275-F331 WeakPolarHBondContact O-CA 3.5Å; L275-T332 PolarHBondContact O-N 3.32Å
276N98.7Very high96.1Very high3 Ų334.1 Ų34.12%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-92.6167.2-168.8-171.336000112.8S51 V232 M234 F274 K278 T332 A334S51-N276 PolarHBondContact O-ND2 3.44Å; V232-N276 WeakPolarHBondContact O-CA 3.48Å; V232-N276 WeakPolarHBondContact O-CB 3.4Å; V232-N276 PolarHBondContact O-N 3.42Å; M234-N276 WeakPolarHBondContact CB-O 3.41Å; M234-N276 WeakPolarHBondContact CG-O 3.41Å; M234-N276 PolarHBondContact N-O 3.31Å; F274-N276 PolarHBondContact O-N 3.03Å; N276-K278 VanDerWaalsContact C-N 3.26Å; N276-K278 PolarHBondContact O-N 3.01Å; N276-T332 CarbonylContact C-O 3.59Å; N276-T332 VanDerWaalsContact CA-O 3.29Å; N276-T332 WeakPolarHBondContact CA-O 3.49Å; N276-T332 WeakPolarHBondContact CA-OG1 3.22Å; N276-T332 VanDerWaalsContact CB-OG1 3.3Å; N276-T332 WeakPolarHBondContact CB-OG1 3.48Å; N276-T332 PolarHBondContact OD1-O 3.21Å; N276-T332 PolarHBondContact OD1-OG1 3.34Å; N276-A334 PolarHBondContact OD1-N 3.21Å
277K98.4Very high96.1Very high20 Ų2039.5 Ų39.59%0.08721%0.21CC..  trans60.237.2-175.6-50.7-178.1-174.6177.20111.7E50 D157 A233 S235 E236 D279 L280 F281 T332E50-K277 WeakPolarHBondContact O-CE 3.3Å; E50-K277 PolarHBondContact O-NZ 3.02Å; D157-K277 WeakPolarHBondContact OD2-CD 3.36Å; D157-K277 VanDerWaalsContact OD2-CE 3.27Å; D157-K277 WeakPolarHBondContact OD2-CE 3.42Å; D157-K277 IonicContact OD2-NZ 2.94Å; D157-K277 PolarHBondContact OD2-NZ 2.92Å; A233-K277 HydrophobicContact CB-CD 3.8Å; A233-K277 HydrophobicContact CB-CG 4.49Å; S235-K277 WeakPolarHBondContact OG-CD 3.46Å; E236-K277 IonicContact OE1-NZ 3.26Å; E236-K277 PolarHBondContact OE1-NZ 2.77Å; K277-D279 WeakPolarHBondContact CA-OD1 3.35Å; K277-D279 PolarHBondContact O-N 3.46Å; K277-L280 HydrophobicContact CB-CB 4.38Å; K277-L280 HydrophobicContact CB-CD1 4.29Å; K277-L280 HydrophobicContact CD-CD1 4.27Å; K277-L280 PolarHBondContact O-N 2.87Å; K277-F281 WeakPolarHBondContact O-CB 3.45Å; K277-F281 PolarHBondContact O-N 3.18Å; K277-T332 PolarHBondContact N-O 3.36Å
278K98.3Very high96.3Very high60 Ų6039.5 Ų39.526%0.26120%0.203SC..Hα-helixtrans-58.9-33.4-179.772.6175.3-172.2162.50112.2M234 N276 F281 E282 Y303 F331 T332 C333M234-K278 HydrophobicContact SD-CB 4.31Å; N276-K278 VanDerWaalsContact C-N 3.26Å; N276-K278 PolarHBondContact O-N 3.01Å; K278-F281 PolarHBondContact O-N 3.34Å; K278-E282 VanDerWaalsContact O-CB 3.31Å; K278-E282 WeakPolarHBondContact O-CB 3.25Å; K278-E282 PolarHBondContact O-N 3.1Å; K278-Y303 HydrophobicContact CB-CE2 4.09Å; K278-F331 HydrophobicContact CD-CB 4.01Å; K278-T332 WeakPolarHBondContact CG-O 3.29Å; K278-T332 PolarHBondContact N-O 3.08Å; K278-T332 VanDerWaalsContact N-O 3.17Å; K278-C333 HydrophobicContact CG-CB 4.39Å
279D97.6Very high96.7Very high58 Ų5835.4 Ų35.431%0.3118%0.184SC..Hα-helixtrans-63.5-48.8177.455-52.9000111.6K277 F281 E282 E283 C333K277-D279 WeakPolarHBondContact CA-OD1 3.35Å; K277-D279 PolarHBondContact O-N 3.46Å; D279-F281 VanDerWaalsContact C-N 3.32Å; D279-F281 PolarHBondContact O-N 2.94Å; D279-E282 PolarHBondContact O-N 2.89Å; D279-E283 PolarHBondContact O-N 3.39Å; D279-E283 VanDerWaalsContact O-N 3.17Å; D279-C333 PolarHBondContact OD1-SG 3Å
280L97.7Very high97Very high44 Ų4434.8 Ų34.823%0.2318%0.18CC..Hα-helixtrans-69.6-33.6177.1-58.8-178.7000111.7D157 K277 K284D157-L280 HydrophobicContact CB-CD1 3.57Å; K277-L280 HydrophobicContact CB-CB 4.38Å; K277-L280 HydrophobicContact CB-CD1 4.29Å; K277-L280 HydrophobicContact CD-CD1 4.27Å; K277-L280 PolarHBondContact O-N 2.87Å; L280-K284 WeakPolarHBondContact O-CB 3.49Å; L280-K284 PolarHBondContact O-N 3.18Å; L280-K284 VanDerWaalsContact O-N 3.12Å
281F98.4Very high97.3Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-65.4-46.6174.7176-104.4000111.6M234 Y237 K277 K278 D279 E283 K284 I285 Y303 A306 A307 I310M234-F281 HydrophobicContact CB-CB 3.69Å; M234-F281 HydrophobicContact CB-CD1 4.45Å; M234-F281 HydrophobicContact CB-CD2 4.02Å; M234-F281 HydrophobicContact CB-CG 3.8Å; M234-F281 HydrophobicContact CE-CD1 3.63Å; M234-F281 HydrophobicContact CE-CE1 3.74Å; M234-F281 HydrophobicContact CE-CG 4.11Å; M234-F281 HydrophobicContact CE-CZ 4.3Å; M234-F281 WeakPolarHBondContact O-CD2 3.2Å; Y237-F281 AromaticContact CD1-CD2 3.79Å; Y237-F281 HydrophobicContact CD1-CD2 3.79Å; Y237-F281 AromaticContact CD1-CE2 3.79Å; Y237-F281 HydrophobicContact CD1-CE2 3.79Å; Y237-F281 AromaticContact CE1-CD2 3.74Å; Y237-F281 HydrophobicContact CE1-CD2 3.74Å; Y237-F281 AromaticContact CE1-CE2 3.8Å; Y237-F281 HydrophobicContact CE1-CE2 3.8Å; K277-F281 WeakPolarHBondContact O-CB 3.45Å; K277-F281 PolarHBondContact O-N 3.18Å; K278-F281 PolarHBondContact O-N 3.34Å; D279-F281 VanDerWaalsContact C-N 3.32Å; D279-F281 PolarHBondContact O-N 2.94Å; F281-E283 VanDerWaalsContact C-N 3.34Å; F281-E283 PolarHBondContact O-N 2.9Å; F281-K284 PolarHBondContact O-N 3.02Å; F281-K284 VanDerWaalsContact O-N 3.1Å; F281-I285 HydrophobicContact CE1-CB 4.42Å; F281-I285 HydrophobicContact CE2-CB 4.25Å; F281-I285 HydrophobicContact CE2-CD1 4.09Å; F281-I285 HydrophobicContact CE2-CG1 4.34Å; F281-I285 HydrophobicContact CZ-CB 4.15Å; F281-I285 HydrophobicContact CZ-CD1 4.05Å; F281-I285 HydrophobicContact CZ-CG1 4Å; F281-I285 WeakPolarHBondContact O-CB 3.29Å; F281-I285 WeakPolarHBondContact O-CG2 3.2Å; F281-I285 PolarHBondContact O-N 3.2Å; F281-Y303 AromaticContact CD1-CD2 3.72Å; F281-Y303 HydrophobicContact CD1-CD2 3.72Å; F281-Y303 AromaticContact CD1-CE2 3.97Å; F281-Y303 HydrophobicContact CD1-CE2 3.97Å; F281-Y303 HydrophobicContact CE1-CD2 4.08Å; F281-A306 HydrophobicContact CE1-CB 4.16Å; F281-A306 HydrophobicContact CZ-CB 3.66Å; F281-A307 HydrophobicContact CE1-CB 4.1Å; F281-I310 HydrophobicContact CD2-CD1 4.44Å; F281-I310 HydrophobicContact CE1-CD1 4.47Å; F281-I310 HydrophobicContact CE2-CD1 3.64Å; F281-I310 HydrophobicContact CZ-CD1 3.65Å
282E98Very high97.3Very high107 Ų10740.2 Ų40.250%0.521%0.209SC..Hα-helixtrans-57.3-43.9177.1-177.8169.5-155.900112.1K278 D279 K284 Y303K278-E282 VanDerWaalsContact O-CB 3.31Å; K278-E282 WeakPolarHBondContact O-CB 3.25Å; K278-E282 PolarHBondContact O-N 3.1Å; D279-E282 PolarHBondContact O-N 2.89Å; E282-K284 VanDerWaalsContact C-N 3.33Å; E282-K284 PolarHBondContact O-N 3.03Å; E282-Y303 HydrophobicContact CB-CD2 3.67Å; E282-Y303 HydrophobicContact CB-CE2 4.31Å; E282-Y303 HydrophobicContact CB-CG 4.21Å; E282-Y303 HydrophobicContact CG-CD2 4.13Å; E282-Y303 HydrophobicContact CG-CG 4.16Å
283E95.2Very high97.4Very high109 Ų10940.4 Ų40.451%0.50921%0.211SC..Hα-helixtrans-67.5-33.4176.1-163.5-159130.800112.6D279 F281 R287D279-E283 PolarHBondContact O-N 3.39Å; D279-E283 VanDerWaalsContact O-N 3.17Å; F281-E283 VanDerWaalsContact C-N 3.34Å; F281-E283 PolarHBondContact O-N 2.9Å; E283-R287 VanDerWaalsContact CD-NH2 3.28Å; E283-R287 PolarHBondContact O-NE 3.11Å; E283-R287 PolarHBondContact O-NH2 3.44Å; E283-R287 VanDerWaalsContact O-NH2 3.16Å; E283-R287 IonicContact OE1-CZ 3.19Å; E283-R287 IonicContact OE1-NH1 3.27Å; E283-R287 PolarHBondContact OE1-NH1 3.49Å; E283-R287 IonicContact OE1-NH2 3.11Å; E283-R287 PolarHBondContact OE1-NH2 3.3Å
284K96.5Very high97.3Very high22 Ų2240.9 Ų40.910%0.09621%0.213CC..Hα-helixtrans-86.4-37.2-171.9-172.5-174-86.3-164.60112.9S235 Y237 D238 L280 F281 E282 G286 R287 R288S235-K284 WeakPolarHBondContact O-CD 3.48Å; S235-K284 WeakPolarHBondContact O-CE 3.46Å; S235-K284 PolarHBondContact O-NZ 3.3Å; Y237-K284 HydrophobicContact CE1-CD 3.69Å; Y237-K284 HydrophobicContact CE1-CG 4.11Å; Y237-K284 PolarHBondContact OH-O 3.04Å; D238-K284 WeakPolarHBondContact OD1-CD 3.15Å; D238-K284 IonicContact OD1-NZ 3.58Å; D238-K284 PolarHBondContact OD1-NZ 2.89Å; D238-K284 WeakPolarHBondContact OD2-CD 3.31Å; D238-K284 IonicContact OD2-NZ 2.95Å; D238-K284 PolarHBondContact OD2-NZ 3.24Å; L280-K284 WeakPolarHBondContact O-CB 3.49Å; L280-K284 PolarHBondContact O-N 3.18Å; L280-K284 VanDerWaalsContact O-N 3.12Å; F281-K284 PolarHBondContact O-N 3.02Å; F281-K284 VanDerWaalsContact O-N 3.1Å; E282-K284 VanDerWaalsContact C-N 3.33Å; E282-K284 PolarHBondContact O-N 3.03Å; K284-G286 VanDerWaalsContact C-N 3.29Å; K284-G286 PolarHBondContact O-N 3.12Å; K284-R287 PolarHBondContact O-N 3.38Å; K284-R288 PolarHBondContact O-N 2.76Å
285I97.7Very high97.3Very high3 Ų345.6 Ų45.62%0.01524%0.244CC..Hα-helixtrans-61.6-35.1-172-169.259.4000112.9Y237 F281 R287 L290 N301 A306Y237-I285 HydrophobicContact CE2-CD1 4.37Å; Y237-I285 WeakPolarHBondContact OH-CA 3.19Å; F281-I285 HydrophobicContact CE1-CB 4.42Å; F281-I285 HydrophobicContact CE2-CB 4.25Å; F281-I285 HydrophobicContact CE2-CD1 4.09Å; F281-I285 HydrophobicContact CE2-CG1 4.34Å; F281-I285 HydrophobicContact CZ-CB 4.15Å; F281-I285 HydrophobicContact CZ-CD1 4.05Å; F281-I285 HydrophobicContact CZ-CG1 4Å; F281-I285 WeakPolarHBondContact O-CB 3.29Å; F281-I285 WeakPolarHBondContact O-CG2 3.2Å; F281-I285 PolarHBondContact O-N 3.2Å; I285-R287 PolarHBondContact O-N 3.49Å; I285-L290 HydrophobicContact CD1-CB 3.95Å; I285-N301 HydrophobicContact CD1-CB 4.37Å; I285-N301 HydrophobicContact CG1-CB 4.19Å; I285-A306 HydrophobicContact CD1-CB 3.94Å; I285-A306 HydrophobicContact CG1-CB 3.78Å
286G94.9Very high97.2Very high65 Ų6550.5 Ų50.567%0.6727%0.267SS*.THydrogen-bonded Turntrans-66.8-14.7175.100000114.5K284K284-G286 VanDerWaalsContact C-N 3.29Å; K284-G286 PolarHBondContact O-N 3.12Å
287R94Very high97.2Very high112 Ų11251.1 Ų51.142%0.42327%0.269SS..THydrogen-bonded Turntrans-107.6-32.7-177.4-63.1179.6-74.5179-2.9112.9M148 E283 K284 I285M148-R287 VanDerWaalsContact CE-NH1 3.33Å; M148-R287 PolarHBondContact SD-NH1 2.94Å; E283-R287 VanDerWaalsContact CD-NH2 3.28Å; E283-R287 PolarHBondContact O-NE 3.11Å; E283-R287 PolarHBondContact O-NH2 3.44Å; E283-R287 VanDerWaalsContact O-NH2 3.16Å; E283-R287 IonicContact OE1-CZ 3.19Å; E283-R287 IonicContact OE1-NH1 3.27Å; E283-R287 PolarHBondContact OE1-NH1 3.49Å; E283-R287 IonicContact OE1-NH2 3.11Å; E283-R287 PolarHBondContact OE1-NH2 3.3Å; K284-R287 PolarHBondContact O-N 3.38Å; I285-R287 PolarHBondContact O-N 3.49Å
288R95.3Very high97.1Very high61 Ų6157 Ų5723%0.2331%0.307CS..SBendtrans-129.3122.9-177.8-60.4-167.277.3-164.55.6110.5Y237 D238 K284 I292Y237-R288 WeakPolarHBondContact CE2-O 3.37Å; Y237-R288 PolarHBondContact OH-O 3.4Å; D238-R288 VanDerWaalsContact CG-NH1 3.26Å; D238-R288 PolarHBondContact O-NH1 2.93Å; D238-R288 VanDerWaalsContact O-NH1 3.16Å; D238-R288 WeakPolarHBondContact OD2-CD 3.4Å; D238-R288 IonicContact OD2-CZ 2.71Å; D238-R288 IonicContact OD2-NE 3.27Å; D238-R288 IonicContact OD2-NH1 2.63Å; D238-R288 PolarHBondContact OD2-NH1 3.48Å; K284-R288 PolarHBondContact O-N 2.76Å; R288-I292 HydrophobicContact CB-CD1 4.09Å
289P97Very high97Very high50 Ų5055.4 Ų55.433%0.32531%0.307SS..  trans-70146.8-171.230-36.5000112.2T291 I292 N301P289-T291 PolarHBondContact O-N 3.42Å; P289-T291 VanDerWaalsContact O-N 3.13Å; P289-I292 HydrophobicContact CG-CD1 4.42Å; P289-I292 HydrophobicContact CG-CG1 4.3Å; P289-I292 WeakPolarHBondContact O-CG1 3.41Å; P289-I292 PolarHBondContact O-N 3.49Å; P289-N301 WeakPolarHBondContact CA-OD1 3.13Å; P289-N301 WeakPolarHBondContact CB-ND2 3.14Å
290L98.3Very high97Very high0 Ų054.6 Ų54.60%031%0.306CS..G310 helixtrans-61.8-22.4177.4-171.960.5000112.6Y237 I285 I292 C293 F294 Y297 N301 A306 Y309 I310Y237-L290 HydrophobicContact CD2-CD1 4Å; Y237-L290 HydrophobicContact CG-CD1 4.16Å; I285-L290 HydrophobicContact CD1-CB 3.95Å; L290-I292 PolarHBondContact O-N 3.42Å; L290-C293 PolarHBondContact O-N 2.85Å; L290-F294 HydrophobicContact CD1-CD2 3.8Å; L290-F294 HydrophobicContact CD1-CE2 4.2Å; L290-F294 HydrophobicContact CD2-CD2 4.22Å; L290-F294 HydrophobicContact CG-CD2 3.85Å; L290-F294 PolarHBondContact O-N 3Å; L290-Y297 HydrophobicContact CB-CD1 3.74Å; L290-Y297 HydrophobicContact CB-CE1 4.01Å; L290-Y297 HydrophobicContact CB-CG 4.31Å; L290-Y297 HydrophobicContact CD2-CD1 3.95Å; L290-Y297 HydrophobicContact CD2-CD2 3.91Å; L290-Y297 HydrophobicContact CD2-CE1 4.05Å; L290-Y297 HydrophobicContact CD2-CE2 4.03Å; L290-Y297 HydrophobicContact CD2-CG 3.86Å; L290-Y297 HydrophobicContact CG-CD1 4.26Å; L290-Y297 HydrophobicContact CG-CG 4.35Å; L290-N301 PolarHBondContact N-OD1 3.17Å; L290-A306 HydrophobicContact CD2-CB 4.01Å; L290-Y309 HydrophobicContact CD2-CD1 3.8Å; L290-Y309 HydrophobicContact CD2-CE1 4.49Å; L290-Y309 HydrophobicContact CD2-CG 4.39Å; L290-I310 HydrophobicContact CD1-CD1 4.08Å; L290-I310 HydrophobicContact CD1-CG1 4.29Å; L290-I310 HydrophobicContact CD2-CG1 4.48Å
291T98.1Very high97Very high56 Ų5655.5 Ų55.534%0.34431%0.311SS..G310 helixtrans-61.3-13.9178.753.50000114.6P289 C293 F294 P295 Y297P289-T291 PolarHBondContact O-N 3.42Å; P289-T291 VanDerWaalsContact O-N 3.13Å; T291-C293 VanDerWaalsContact C-N 3.28Å; T291-C293 PolarHBondContact O-N 3.39Å; T291-F294 WeakPolarHBondContact CA-O 3.13Å; T291-P295 WeakPolarHBondContact O-CA 3.39Å; T291-Y297 WeakPolarHBondContact CG2-O 3.46Å
292I96.7Very high97Very high72 Ų7258.2 Ų58.237%0.36933%0.328SS..G310 helixtrans-59.7-40.9168.5-64.8169.4000110.9D238 R288 P289 L290D238-I292 HydrophobicContact CB-CD1 4.24Å; D238-I292 HydrophobicContact CB-CG2 4.48Å; R288-I292 HydrophobicContact CB-CD1 4.09Å; P289-I292 HydrophobicContact CG-CD1 4.42Å; P289-I292 HydrophobicContact CG-CG1 4.3Å; P289-I292 WeakPolarHBondContact O-CG1 3.41Å; P289-I292 PolarHBondContact O-N 3.49Å; L290-I292 PolarHBondContact O-N 3.42Å
293C97.8Very high97Very high5 Ų555.1 Ų55.13%0.03431%0.312CS..THydrogen-bonded Turntrans-93.3-39.5178.3-174.90000112.4Y237 N248 L290 T291Y237-C293 WeakPolarHBondContact O-CB 3.37Å; N248-C293 PolarHBondContact OD1-SG 3.4Å; L290-C293 PolarHBondContact O-N 2.85Å; T291-C293 VanDerWaalsContact C-N 3.28Å; T291-C293 PolarHBondContact O-N 3.39Å
294F97.9Very high97.1Very high9 Ų955.7 Ų55.74%0.03932%0.315CS..  trans-125.779.9-173.6-58.6-70.3000109.9M250 L251 L290 T291 E296 Y297 Y309 I310 K313M250-F294 HydrophobicContact CG-CE2 4.07Å; M250-F294 HydrophobicContact CG-CZ 3.89Å; L251-F294 HydrophobicContact CD2-CE1 4.04Å; L290-F294 HydrophobicContact CD1-CD2 3.8Å; L290-F294 HydrophobicContact CD1-CE2 4.2Å; L290-F294 HydrophobicContact CD2-CD2 4.22Å; L290-F294 HydrophobicContact CG-CD2 3.85Å; L290-F294 PolarHBondContact O-N 3Å; T291-F294 WeakPolarHBondContact CA-O 3.13Å; F294-E296 WeakPolarHBondContact CA-OE2 3.46Å; F294-E296 PolarHBondContact O-N 3.26Å; F294-Y297 WeakPolarHBondContact O-CB 3.31Å; F294-Y297 PolarHBondContact O-N 2.86Å; F294-Y309 HydrophobicContact CB-CE1 3.81Å; F294-Y309 HydrophobicContact CD1-CE1 4.24Å; F294-Y309 HydrophobicContact CD2-CD1 4.34Å; F294-Y309 HydrophobicContact CD2-CE1 4Å; F294-Y309 AromaticContact CG-CE1 3.76Å; F294-Y309 HydrophobicContact CG-CE1 3.76Å; F294-I310 HydrophobicContact CE2-CG1 4.22Å; F294-K313 HydrophobicContact CE1-CD 4.47Å; F294-K313 HydrophobicContact CE1-CG 4.22Å; F294-K313 HydrophobicContact CZ-CG 4.44Å
295P97.7Very high97.2Very high102 Ų10259.1 Ų59.166%0.66233%0.331SS*.THydrogen-bonded Turntrans-54.9-24.2-175.9-26.935.5000114.5T291 Y297T291-P295 WeakPolarHBondContact O-CA 3.39Å; P295-Y297 VanDerWaalsContact C-N 3.32Å
296E97.1Very high97.3Very high103 Ų10359 Ų5948%0.48133%0.33SS..THydrogen-bonded Turntrans-81.3-4.3177.377.3-79-163.800114.5F294 T298 Y309 K313F294-E296 WeakPolarHBondContact CA-OE2 3.46Å; F294-E296 PolarHBondContact O-N 3.26Å; E296-T298 PolarHBondContact O-N 3.15Å; E296-Y309 WeakPolarHBondContact CG-OH 3.35Å; E296-Y309 PolarHBondContact OE1-OH 2.94Å; E296-K313 WeakPolarHBondContact OE1-CE 3.48Å; E296-K313 IonicContact OE1-NZ 2.74Å; E296-K313 PolarHBondContact OE1-NZ 2.61Å
297Y98.1Very high97.4Very high16 Ų1656 Ų566%0.06330%0.3CS..  trans-68.2122.6177.6179.5-111.7000111.3L290 T291 F294 P295 G299 S300 E305 A306 Y309L290-Y297 HydrophobicContact CB-CD1 3.74Å; L290-Y297 HydrophobicContact CB-CE1 4.01Å; L290-Y297 HydrophobicContact CB-CG 4.31Å; L290-Y297 HydrophobicContact CD2-CD1 3.95Å; L290-Y297 HydrophobicContact CD2-CD2 3.91Å; L290-Y297 HydrophobicContact CD2-CE1 4.05Å; L290-Y297 HydrophobicContact CD2-CE2 4.03Å; L290-Y297 HydrophobicContact CD2-CG 3.86Å; L290-Y297 HydrophobicContact CG-CD1 4.26Å; L290-Y297 HydrophobicContact CG-CG 4.35Å; T291-Y297 WeakPolarHBondContact CG2-O 3.46Å; F294-Y297 WeakPolarHBondContact O-CB 3.31Å; F294-Y297 PolarHBondContact O-N 2.86Å; P295-Y297 VanDerWaalsContact C-N 3.32Å; Y297-G299 VanDerWaalsContact CE1-C 3.45Å; Y297-G299 WeakPolarHBondContact CE1-O 3.46Å; Y297-G299 VanDerWaalsContact CZ-C 3.5Å; Y297-G299 VanDerWaalsContact CZ-CA 3.41Å; Y297-G299 WeakPolarHBondContact OH-CA 3.34Å; Y297-S300 WeakPolarHBondContact CE1-O 3.35Å; Y297-S300 PolarHBondContact OH-O 3.15Å; Y297-E305 WeakPolarHBondContact OH-CB 3.48Å; Y297-A306 PolarHBondContact OH-N 3.44Å; Y297-Y309 AromaticContact CD2-CD1 3.78Å; Y297-Y309 HydrophobicContact CD2-CD1 3.78Å; Y297-Y309 AromaticContact CD2-CD2 3.5Å; Y297-Y309 HydrophobicContact CD2-CD2 3.5Å; Y297-Y309 HydrophobicContact CD2-CE1 4.02Å; Y297-Y309 AromaticContact CD2-CE2 3.74Å; Y297-Y309 HydrophobicContact CD2-CE2 3.74Å; Y297-Y309 AromaticContact CD2-CG 3.49Å; Y297-Y309 HydrophobicContact CD2-CG 3.49Å; Y297-Y309 VanDerWaalsContact CD2-CG 3.49Å; Y297-Y309 AromaticContact CD2-CZ 3.97Å; Y297-Y309 HydrophobicContact CE2-CD1 4.28Å; Y297-Y309 AromaticContact CE2-CD2 3.83Å; Y297-Y309 HydrophobicContact CE2-CD2 3.83Å; Y297-Y309 HydrophobicContact CE2-CE2 4.49Å; Y297-Y309 AromaticContact CE2-CG 3.67Å; Y297-Y309 HydrophobicContact CE2-CG 3.67Å
298T97.2Very high97.7Very high143 Ų14352.8 Ų52.888%0.87730%0.296SS*.  trans-110.4-1.9-179.160.60000113.8E296E296-T298 PolarHBondContact O-N 3.15Å
299G96.5Very high97.8Very high26 Ų2652 Ų5227%0.26829%0.294SS..SBendtrans-76.9175.7-179.400000112.8Y297 E305Y297-G299 VanDerWaalsContact CE1-C 3.45Å; Y297-G299 WeakPolarHBondContact CE1-O 3.46Å; Y297-G299 VanDerWaalsContact CZ-C 3.5Å; Y297-G299 VanDerWaalsContact CZ-CA 3.41Å; Y297-G299 WeakPolarHBondContact OH-CA 3.34Å; G299-E305 WeakPolarHBondContact CA-OE2 3.4Å
300S97.1Very high97.9Very high42 Ų4249.7 Ų49.729%0.29428%0.279SS..  trans-72.7153.2174.970.90000111.4Y297 T302 E305Y297-S300 WeakPolarHBondContact CE1-O 3.35Å; Y297-S300 PolarHBondContact OH-O 3.15Å; S300-T302 PolarHBondContact O-N 3.12Å; S300-T302 WeakPolarHBondContact OG-CG2 3.39Å; S300-T302 PolarHBondContact OG-OG1 2.84Å; S300-E305 PolarHBondContact N-OE2 3.45Å; S300-E305 PolarHBondContact OG-OE1 3.1Å; S300-E305 PolarHBondContact OG-OE2 3.19Å
301N97.4Very high97.9Very high63 Ų6352 Ų5234%0.33729%0.289SS..SBendtrans-83.744.1173.2-65.6-58.1000111.5I285 P289 L290I285-N301 HydrophobicContact CD1-CB 4.37Å; I285-N301 HydrophobicContact CG1-CB 4.19Å; P289-N301 WeakPolarHBondContact CA-OD1 3.13Å; P289-N301 WeakPolarHBondContact CB-ND2 3.14Å; L290-N301 PolarHBondContact N-OD1 3.17Å
302T97.9Very high97.9Very high57 Ų5754.5 Ų54.535%0.3530%0.3SS..SBendtrans-88.6157.4169.356.80000109.4S300 E304 A306S300-T302 PolarHBondContact O-N 3.12Å; S300-T302 WeakPolarHBondContact OG-CG2 3.39Å; S300-T302 PolarHBondContact OG-OG1 2.84Å; T302-E304 VanDerWaalsContact C-N 3.31Å; T302-E304 PolarHBondContact O-N 2.97Å; T302-A306 WeakPolarHBondContact O-CB 3.22Å; T302-A306 PolarHBondContact O-N 3.12Å
303Y98.3Very high97.9Very high41 Ų4154.2 Ų54.216%0.16130%0.296CS..Hα-helixtrans-57.7-47.4177.1169.6-100000110.9K278 F281 E282 A307K278-Y303 HydrophobicContact CB-CE2 4.09Å; F281-Y303 AromaticContact CD1-CD2 3.72Å; F281-Y303 HydrophobicContact CD1-CD2 3.72Å; F281-Y303 AromaticContact CD1-CE2 3.97Å; F281-Y303 HydrophobicContact CD1-CE2 3.97Å; F281-Y303 HydrophobicContact CE1-CD2 4.08Å; E282-Y303 HydrophobicContact CB-CD2 3.67Å; E282-Y303 HydrophobicContact CB-CE2 4.31Å; E282-Y303 HydrophobicContact CB-CG 4.21Å; E282-Y303 HydrophobicContact CG-CD2 4.13Å; E282-Y303 HydrophobicContact CG-CG 4.16Å; Y303-A307 HydrophobicContact CD2-CB 4.44Å; Y303-A307 HydrophobicContact CE2-CB 4.21Å; Y303-A307 WeakPolarHBondContact O-CA 3.32Å; Y303-A307 WeakPolarHBondContact O-CB 3.35Å; Y303-A307 PolarHBondContact O-N 3.39Å
304E98.2Very high97.9Very high122 Ų12254 Ų5457%0.5730%0.295SS*.Hα-helixtrans-62.7-52.8-172.3-64.571.7-158.800112.3T302 A308T302-E304 VanDerWaalsContact C-N 3.31Å; T302-E304 PolarHBondContact O-N 2.97Å; E304-A308 VanDerWaalsContact O-CB 3.24Å; E304-A308 WeakPolarHBondContact O-CB 3.49Å; E304-A308 PolarHBondContact O-N 2.96Å
305E98.2Very high97.9Very high94 Ų9456.1 Ų56.144%0.43931%0.305SS..Hα-helixtrans-68.8-43.2-178.3-73.5-174.3-130.900111.8Y297 G299 S300 A308 Y309Y297-E305 WeakPolarHBondContact OH-CB 3.48Å; G299-E305 WeakPolarHBondContact CA-OE2 3.4Å; S300-E305 PolarHBondContact N-OE2 3.45Å; S300-E305 PolarHBondContact OG-OE1 3.1Å; S300-E305 PolarHBondContact OG-OE2 3.19Å; E305-A308 PolarHBondContact O-N 3.47Å; E305-Y309 WeakPolarHBondContact O-CB 3.49Å; E305-Y309 PolarHBondContact O-N 3.14Å
306A98.6Very high97.8Very high0 Ų054.9 Ų54.90%030%0.303CS..Hα-helixtrans-70.4-39.7-177.200000111.6F281 I285 L290 Y297 T302 Y309 I310F281-A306 HydrophobicContact CE1-CB 4.16Å; F281-A306 HydrophobicContact CZ-CB 3.66Å; I285-A306 HydrophobicContact CD1-CB 3.94Å; I285-A306 HydrophobicContact CG1-CB 3.78Å; L290-A306 HydrophobicContact CD2-CB 4.01Å; Y297-A306 PolarHBondContact OH-N 3.44Å; T302-A306 WeakPolarHBondContact O-CB 3.22Å; T302-A306 PolarHBondContact O-N 3.12Å; A306-Y309 PolarHBondContact O-N 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.12Å
307A98.6Very high97.8Very high3 Ų351.6 Ų51.63%0.02529%0.289CS..Hα-helixtrans-64.6-44.7175.100000111.8M234 F281 Y303 Y309 I310 Q311 F331M234-A307 HydrophobicContact CE-CB 3.63Å; F281-A307 HydrophobicContact CE1-CB 4.1Å; Y303-A307 HydrophobicContact CD2-CB 4.44Å; Y303-A307 HydrophobicContact CE2-CB 4.21Å; Y303-A307 WeakPolarHBondContact O-CA 3.32Å; Y303-A307 WeakPolarHBondContact O-CB 3.35Å; Y303-A307 PolarHBondContact O-N 3.39Å; A307-Y309 VanDerWaalsContact C-N 3.3Å; A307-Y309 PolarHBondContact O-N 3.36Å; A307-I310 PolarHBondContact O-N 3.47Å; A307-Q311 PolarHBondContact O-N 3.49Å; A307-F331 HydrophobicContact CB-CD1 4.46Å; A307-F331 HydrophobicContact CB-CE1 3.68Å; A307-F331 HydrophobicContact CB-CZ 4.08Å
308A98.4Very high97.7Very high43 Ų4351.1 Ų51.136%0.35529%0.287SS..Hα-helixtrans-61.5-40175.600000111.6E304 E305 Q311 L312E304-A308 VanDerWaalsContact O-CB 3.24Å; E304-A308 WeakPolarHBondContact O-CB 3.49Å; E304-A308 PolarHBondContact O-N 2.96Å; E305-A308 PolarHBondContact O-N 3.47Å; A308-Q311 WeakPolarHBondContact O-CB 3.35Å; A308-Q311 PolarHBondContact O-N 2.91Å; A308-L312 WeakPolarHBondContact O-CG 3.39Å; A308-L312 PolarHBondContact O-N 2.65Å
309Y98.6Very high97.5Very high46 Ų4650.9 Ų50.918%0.1827%0.274CS..Hα-helixtrans-63.3-45.6175.8-174.6-92000112.6L290 F294 E296 Y297 E305 A306 A307 Q311 L312 K313L290-Y309 HydrophobicContact CD2-CD1 3.8Å; L290-Y309 HydrophobicContact CD2-CE1 4.49Å; L290-Y309 HydrophobicContact CD2-CG 4.39Å; F294-Y309 HydrophobicContact CB-CE1 3.81Å; F294-Y309 HydrophobicContact CD1-CE1 4.24Å; F294-Y309 HydrophobicContact CD2-CD1 4.34Å; F294-Y309 HydrophobicContact CD2-CE1 4Å; F294-Y309 AromaticContact CG-CE1 3.76Å; F294-Y309 HydrophobicContact CG-CE1 3.76Å; E296-Y309 WeakPolarHBondContact CG-OH 3.35Å; E296-Y309 PolarHBondContact OE1-OH 2.94Å; Y297-Y309 AromaticContact CD2-CD1 3.78Å; Y297-Y309 HydrophobicContact CD2-CD1 3.78Å; Y297-Y309 AromaticContact CD2-CD2 3.5Å; Y297-Y309 HydrophobicContact CD2-CD2 3.5Å; Y297-Y309 HydrophobicContact CD2-CE1 4.02Å; Y297-Y309 AromaticContact CD2-CE2 3.74Å; Y297-Y309 HydrophobicContact CD2-CE2 3.74Å; Y297-Y309 AromaticContact CD2-CG 3.49Å; Y297-Y309 HydrophobicContact CD2-CG 3.49Å; Y297-Y309 VanDerWaalsContact CD2-CG 3.49Å; Y297-Y309 AromaticContact CD2-CZ 3.97Å; Y297-Y309 HydrophobicContact CE2-CD1 4.28Å; Y297-Y309 AromaticContact CE2-CD2 3.83Å; Y297-Y309 HydrophobicContact CE2-CD2 3.83Å; Y297-Y309 HydrophobicContact CE2-CE2 4.49Å; Y297-Y309 AromaticContact CE2-CG 3.67Å; Y297-Y309 HydrophobicContact CE2-CG 3.67Å; E305-Y309 WeakPolarHBondContact O-CB 3.49Å; E305-Y309 PolarHBondContact O-N 3.14Å; A306-Y309 PolarHBondContact O-N 3.28Å; A307-Y309 VanDerWaalsContact C-N 3.3Å; A307-Y309 PolarHBondContact O-N 3.36Å; Y309-Q311 VanDerWaalsContact C-N 3.33Å; Y309-Q311 PolarHBondContact O-N 3.06Å; Y309-L312 PolarHBondContact O-N 2.63Å; Y309-K313 HydrophobicContact CD1-CG 4.05Å; Y309-K313 HydrophobicContact CE1-CD 4.24Å; Y309-K313 HydrophobicContact CE1-CG 3.74Å; Y309-K313 WeakPolarHBondContact O-CG 3.33Å; Y309-K313 PolarHBondContact O-N 3.31Å; Y309-K313 WeakPolarHBondContact OH-CE 3.34Å; Y309-K313 PolarHBondContact OH-NZ 3.03Å
310I98.7Very high97.1Very high0 Ų051.8 Ų51.80%027%0.269CS..Hα-helixtrans-58.9-46.9175.2-69.6169.2000110M234 M250 L275 F281 L290 F294 A306 A307 L312 K313 F314M234-I310 HydrophobicContact CE-CD1 4.06Å; M250-I310 HydrophobicContact CE-CD1 4.09Å; M250-I310 HydrophobicContact CE-CG2 4.23Å; M250-I310 HydrophobicContact SD-CG2 4.46Å; L275-I310 HydrophobicContact CD2-CG2 4.22Å; F281-I310 HydrophobicContact CD2-CD1 4.44Å; F281-I310 HydrophobicContact CE1-CD1 4.47Å; F281-I310 HydrophobicContact CE2-CD1 3.64Å; F281-I310 HydrophobicContact CZ-CD1 3.65Å; L290-I310 HydrophobicContact CD1-CD1 4.08Å; L290-I310 HydrophobicContact CD1-CG1 4.29Å; L290-I310 HydrophobicContact CD2-CG1 4.48Å; F294-I310 HydrophobicContact CE2-CG1 4.22Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.12Å; A307-I310 PolarHBondContact O-N 3.47Å; I310-L312 PolarHBondContact O-N 3.41Å; I310-K313 WeakPolarHBondContact O-CB 3.37Å; I310-K313 PolarHBondContact O-N 3.39Å; I310-F314 HydrophobicContact CG2-CD2 4.03Å; I310-F314 HydrophobicContact CG2-CE2 4.07Å; I310-F314 WeakPolarHBondContact O-CD2 3.35Å; I310-F314 PolarHBondContact O-N 3.12Å; I310-F314 VanDerWaalsContact O-N 3.13Å
311Q98.5Very high96.2Very high48 Ų4854.7 Ų54.722%0.22428%0.281CS..Hα-helixtrans-53.9-52.7176.3171.51723.400111.7L275 A307 A308 Y309 K313 F314 E315 T329 F331L275-Q311 HydrophobicContact CD1-CB 3.69Å; L275-Q311 HydrophobicContact CD1-CG 4.34Å; A307-Q311 PolarHBondContact O-N 3.49Å; A308-Q311 WeakPolarHBondContact O-CB 3.35Å; A308-Q311 PolarHBondContact O-N 2.91Å; Y309-Q311 VanDerWaalsContact C-N 3.33Å; Y309-Q311 PolarHBondContact O-N 3.06Å; Q311-K313 VanDerWaalsContact C-N 3.27Å; Q311-K313 PolarHBondContact O-N 2.83Å; Q311-F314 PolarHBondContact O-N 3.49Å; Q311-F314 VanDerWaalsContact O-N 3.12Å; Q311-E315 HydrophobicContact CG-CG 4.29Å; Q311-E315 VanDerWaalsContact CG-OE1 3.29Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.48Å; Q311-E315 PolarHBondContact NE2-OE1 2.77Å; Q311-E315 WeakPolarHBondContact O-CG 3.49Å; Q311-E315 PolarHBondContact O-N 2.73Å; Q311-T329 HydrophobicContact CG-CG2 3.97Å; Q311-F331 HydrophobicContact CB-CZ 4.11Å; Q311-F331 VanDerWaalsContact OE1-CE2 3.28Å; Q311-F331 VanDerWaalsContact OE1-CZ 3.32Å
312L97.4Very high95.3Very high110 Ų11057.1 Ų57.158%0.57630%0.299SS*.Hα-helixtrans-58.6-39179.2-71.8172.7000112.2A308 Y309 I310 F314 A316A308-L312 WeakPolarHBondContact O-CG 3.39Å; A308-L312 PolarHBondContact O-N 2.65Å; Y309-L312 PolarHBondContact O-N 2.63Å; I310-L312 PolarHBondContact O-N 3.41Å; L312-F314 PolarHBondContact O-N 3.3Å; L312-A316 WeakPolarHBondContact O-CB 3.13Å; L312-A316 PolarHBondContact O-N 3.27Å
313K98Very high94Very high65 Ų6558.1 Ų58.128%0.28332%0.321SS..Hα-helixtrans-61.6-41.7176.9-75.3-68.3-171.9172.50112.5F294 E296 Y309 I310 Q311 L317F294-K313 HydrophobicContact CE1-CD 4.47Å; F294-K313 HydrophobicContact CE1-CG 4.22Å; F294-K313 HydrophobicContact CZ-CG 4.44Å; E296-K313 WeakPolarHBondContact OE1-CE 3.48Å; E296-K313 IonicContact OE1-NZ 2.74Å; E296-K313 PolarHBondContact OE1-NZ 2.61Å; Y309-K313 HydrophobicContact CD1-CG 4.05Å; Y309-K313 HydrophobicContact CE1-CD 4.24Å; Y309-K313 HydrophobicContact CE1-CG 3.74Å; Y309-K313 WeakPolarHBondContact O-CG 3.33Å; Y309-K313 PolarHBondContact O-N 3.31Å; Y309-K313 WeakPolarHBondContact OH-CE 3.34Å; Y309-K313 PolarHBondContact OH-NZ 3.03Å; I310-K313 WeakPolarHBondContact O-CB 3.37Å; I310-K313 PolarHBondContact O-N 3.39Å; Q311-K313 VanDerWaalsContact C-N 3.27Å; Q311-K313 PolarHBondContact O-N 2.83Å; K313-L317 WeakPolarHBondContact O-CG 3.29Å
314F98.3Very high92.9Very high0 Ų063.4 Ų63.40%035%0.346CS..Hα-helixtrans-73.4-44.9177.8-84.1-92.9000112.1V232 M250 F257 L273 L275 I310 Q311 L312 A316 L317V232-F314 HydrophobicContact CB-CZ 4.31Å; V232-F314 HydrophobicContact CG1-CE1 4.28Å; V232-F314 HydrophobicContact CG1-CE2 3.86Å; V232-F314 HydrophobicContact CG1-CZ 3.6Å; V232-F314 HydrophobicContact CG2-CD1 3.97Å; V232-F314 HydrophobicContact CG2-CE1 3.47Å; V232-F314 VanDerWaalsContact CG2-CE1 3.47Å; V232-F314 HydrophobicContact CG2-CE2 4.33Å; V232-F314 HydrophobicContact CG2-CZ 3.69Å; M250-F314 HydrophobicContact SD-CE2 3.57Å; M250-F314 VanDerWaalsContact SD-CE2 3.57Å; M250-F314 HydrophobicContact SD-CZ 3.84Å; F257-F314 HydrophobicContact CB-CD1 3.82Å; F257-F314 HydrophobicContact CB-CE1 3.83Å; F257-F314 HydrophobicContact CD1-CB 4.4Å; F257-F314 AromaticContact CD1-CD1 3.71Å; F257-F314 HydrophobicContact CD1-CD1 3.71Å; F257-F314 HydrophobicContact CE1-CB 4.4Å; F257-F314 HydrophobicContact CE1-CD1 4.38Å; F257-F314 WeakPolarHBondContact CE1-O 3.24Å; F257-F314 AromaticContact CG-CD1 3.76Å; F257-F314 HydrophobicContact CG-CD1 3.76Å; F257-F314 HydrophobicContact CG-CE1 4.26Å; L273-F314 HydrophobicContact CD1-CD1 4.19Å; L273-F314 HydrophobicContact CD2-CB 3.49Å; L273-F314 VanDerWaalsContact CD2-CB 3.49Å; L273-F314 HydrophobicContact CD2-CG 4.17Å; L275-F314 HydrophobicContact CD2-CD2 4.41Å; I310-F314 HydrophobicContact CG2-CD2 4.03Å; I310-F314 HydrophobicContact CG2-CE2 4.07Å; I310-F314 WeakPolarHBondContact O-CD2 3.35Å; I310-F314 PolarHBondContact O-N 3.12Å; I310-F314 VanDerWaalsContact O-N 3.13Å; Q311-F314 PolarHBondContact O-N 3.49Å; Q311-F314 VanDerWaalsContact O-N 3.12Å; L312-F314 PolarHBondContact O-N 3.3Å; F314-A316 VanDerWaalsContact C-N 3.28Å; F314-A316 PolarHBondContact O-N 3.13Å; F314-L317 HydrophobicContact CD1-CD1 4.5Å; F314-L317 WeakPolarHBondContact O-CB 3.3Å; F314-L317 PolarHBondContact O-N 2.82Å; F314-L317 VanDerWaalsContact O-N 3.09Å
315E96.6Very high92.3Very high55 Ų5558.3 Ų58.326%0.25732%0.323SS..Hα-helixtrans-62.3-36.2179.8-72.1174.9175.400112.1Q311 L317 N318 T329Q311-E315 HydrophobicContact CG-CG 4.29Å; Q311-E315 VanDerWaalsContact CG-OE1 3.29Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.48Å; Q311-E315 PolarHBondContact NE2-OE1 2.77Å; Q311-E315 WeakPolarHBondContact O-CG 3.49Å; Q311-E315 PolarHBondContact O-N 2.73Å; E315-L317 PolarHBondContact O-N 3.41Å; E315-N318 WeakPolarHBondContact O-CB 3.23Å; E315-N318 PolarHBondContact O-N 2.97Å; E315-N318 VanDerWaalsContact O-N 3.14Å; E315-T329 WeakPolarHBondContact OE1-CB 3.48Å; E315-T329 PolarHBondContact OE1-OG1 2.83Å
316A95.9Very high91.8Very high75 Ų7559.6 Ų59.662%0.6233%0.328SS*.THydrogen-bonded Turntrans-64.4-16.3176.300000114.2L312 F314 N318L312-A316 WeakPolarHBondContact O-CB 3.13Å; L312-A316 PolarHBondContact O-N 3.27Å; F314-A316 VanDerWaalsContact C-N 3.28Å; F314-A316 PolarHBondContact O-N 3.13Å; A316-N318 VanDerWaalsContact C-N 3.26Å; A316-N318 PolarHBondContact O-N 3.38Å
317L97Very high91.5Very high35 Ų3560.5 Ų60.518%0.18333%0.333CS..THydrogen-bonded Turntrans-75.3-16.2176.1-61.8170.4000112.8T254 F257 D258 N262 K313 F314 E315 K319T254-L317 HydrophobicContact CG2-CD1 3.64Å; T254-L317 HydrophobicContact CG2-CD2 4.2Å; T254-L317 HydrophobicContact CG2-CG 4.44Å; T254-L317 WeakPolarHBondContact O-CD1 3.39Å; F257-L317 HydrophobicContact CB-CD1 4.32Å; F257-L317 HydrophobicContact CD1-CB 4.2Å; F257-L317 HydrophobicContact CD1-CD1 3.81Å; D258-L317 HydrophobicContact CB-CB 4.4Å; D258-L317 HydrophobicContact CB-CD1 4.31Å; D258-L317 HydrophobicContact CB-CD2 4.24Å; N262-L317 PolarHBondContact ND2-O 3.34Å; K313-L317 WeakPolarHBondContact O-CG 3.29Å; F314-L317 HydrophobicContact CD1-CD1 4.5Å; F314-L317 WeakPolarHBondContact O-CB 3.3Å; F314-L317 PolarHBondContact O-N 2.82Å; F314-L317 VanDerWaalsContact O-N 3.09Å; E315-L317 PolarHBondContact O-N 3.41Å; L317-K319 PolarHBondContact O-N 2.75Å; L317-K319 VanDerWaalsContact O-N 3.15Å
318N95.7Very high91.3Very high6 Ų662.6 Ų62.63%0.03234%0.341CS..  trans-74.1104.3177179.815.4000111.3E315 A316 R320 N321 K325 I327E315-N318 WeakPolarHBondContact O-CB 3.23Å; E315-N318 PolarHBondContact O-N 2.97Å; E315-N318 VanDerWaalsContact O-N 3.14Å; A316-N318 VanDerWaalsContact C-N 3.26Å; A316-N318 PolarHBondContact O-N 3.38Å; N318-R320 PolarHBondContact O-N 3.4Å; N318-R320 PolarHBondContact OD1-N 3.41Å; N318-N321 HydrophobicContact CB-CB 4.5Å; N318-N321 WeakPolarHBondContact O-CB 3.43Å; N318-N321 PolarHBondContact O-N 3.04Å; N318-K325 PolarHBondContact ND2-O 3.41Å; N318-I327 HydrophobicContact CB-CD1 3.51Å; N318-I327 HydrophobicContact CB-CG1 4.33Å
319K93.6Very high91.3Very high137 Ų13761.8 Ų61.860%0.59633%0.331SS*.THydrogen-bonded Turntrans-75.4-3.9-179.3-61.4164.5-169.6152.10112.8D258 N262 L317D258-K319 VanDerWaalsContact OD1-CE 3.27Å; D258-K319 WeakPolarHBondContact OD1-CE 3.2Å; D258-K319 IonicContact OD1-NZ 2.74Å; D258-K319 PolarHBondContact OD1-NZ 3.49Å; D258-K319 IonicContact OD2-NZ 2.75Å; D258-K319 PolarHBondContact OD2-NZ 2.86Å; N262-K319 HydrophobicContact CB-CD 4.49Å; N262-K319 WeakPolarHBondContact OD1-CB 3.4Å; N262-K319 PolarHBondContact OD1-N 3.01Å; N262-K319 VanDerWaalsContact OD1-N 3.07Å; L317-K319 PolarHBondContact O-N 2.75Å; L317-K319 VanDerWaalsContact O-N 3.15Å
320R88.4Confident91.3Very high45 Ų4561.3 Ų61.317%0.1733%0.331CS..THydrogen-bonded Turntrans-111.121.5179.9-59.6-178.6-171.3115.33.2112.2C261 N262 N318 T322 Q324 K325C261-R320 PolarHBondContact O-NH1 2.63Å; N262-R320 PolarHBondContact O-NH2 3.12Å; N318-R320 PolarHBondContact O-N 3.4Å; N318-R320 PolarHBondContact OD1-N 3.41Å; R320-T322 PolarHBondContact O-N 2.71Å; R320-T322 VanDerWaalsContact O-N 3.15Å; R320-Q324 HydrophobicContact CB-CB 4.16Å; R320-Q324 PolarHBondContact O-N 2.85Å; R320-K325 HydrophobicContact CB-CB 3.85Å; R320-K325 PolarHBondContact O-N 3.34Å
321N78.3Confident91.3Very high103 Ų10363.9 Ų63.955%0.55134%0.342SS*.THydrogen-bonded Turntrans-69.4-3.1-177.767.1-8.7000114.9N318 G323N318-N321 HydrophobicContact CB-CB 4.5Å; N318-N321 WeakPolarHBondContact O-CB 3.43Å; N318-N321 PolarHBondContact O-N 3.04Å; N321-G323 PolarHBondContact O-N 3.47Å
322T77Confident91.3Very high115 Ų11561.6 Ų61.671%0.70633%0.331SS*.THydrogen-bonded Turntrans-77.336.4176.250.60000113.5R320R320-T322 PolarHBondContact O-N 2.71Å; R320-T322 VanDerWaalsContact O-N 3.15Å
323G72Confident91.3Very high78 Ų7856.8 Ų56.880%0.80431%0.307SS*.THydrogen-bonded Turntrans87.6-1.9179.300000115.4N321N321-G323 PolarHBondContact O-N 3.47Å
324Q75.7Confident91.3Very high151 Ų15153.9 Ų53.971%0.70630%0.295SS*.THydrogen-bonded Turntrans-81.1-34.7176.3-69-179.3-1800112.4R320R320-Q324 HydrophobicContact CB-CB 4.16Å; R320-Q324 PolarHBondContact O-N 2.85Å
325K84Confident91.2Very high16 Ų1655.3 Ų55.37%0.0730%0.304CS..  trans-147.3122.4-177.8-171166.6-170.5165.10111.3F266 T269 I271 N318 R320F266-K325 PolarHBondContact O-NZ 3.48Å; T269-K325 WeakPolarHBondContact O-CE 3.45Å; T269-K325 PolarHBondContact O-NZ 3.06Å; I271-K325 VanDerWaalsContact CD1-CE 3.42Å; I271-K325 VanDerWaalsContact CG1-CE 3.49Å; N318-K325 PolarHBondContact ND2-O 3.41Å; R320-K325 HydrophobicContact CB-CB 3.85Å; R320-K325 PolarHBondContact O-N 3.34Å
326E87.7Confident91.3Very high120 Ų12056 Ų5656%0.56131%0.309SS*.  trans-96.6141.3173.9-169.7170.7-15900109.7Y328E326-Y328 HydrophobicContact CB-CE2 4.36Å; E326-Y328 VanDerWaalsContact CD-CE1 3.5Å; E326-Y328 HydrophobicContact CG-CD1 4.46Å; E326-Y328 HydrophobicContact CG-CE1 3.96Å; E326-Y328 VanDerWaalsContact OE2-CE1 3.31Å; E326-Y328 WeakPolarHBondContact OE2-CE1 3.21Å; E326-Y328 VanDerWaalsContact OE2-CZ 3.26Å; E326-Y328 PolarHBondContact OE2-OH 3.32Å
327I93.9Very high91.4Very high19 Ų1953.9 Ų53.910%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-102.8123.9168.5-68.7167.3000107.1F257 I271 L273 N318F257-I327 HydrophobicContact CE1-CD1 3.63Å; F257-I327 HydrophobicContact CZ-CD1 3.52Å; F257-I327 HydrophobicContact CZ-CG1 4.25Å; F257-I327 HydrophobicContact CZ-CG2 4.33Å; I271-I327 HydrophobicContact CG2-CG1 4.4Å; L273-I327 HydrophobicContact CB-CG2 3.57Å; L273-I327 HydrophobicContact CD2-CG2 4.34Å; N318-I327 HydrophobicContact CB-CD1 3.51Å; N318-I327 HydrophobicContact CB-CG1 4.33Å
328Y94.5Very high91.4Very high47 Ų4757.6 Ų57.618%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-91.8107176-60.3-77.1000110I271 I272 L273 E326 I350I271-Y328 PolarHBondContact O-N 3.21Å; I272-Y328 CarbonylContact C-O 3.42Å; I272-Y328 VanDerWaalsContact CA-O 3.31Å; I272-Y328 WeakPolarHBondContact CA-O 3.44Å; I272-Y328 WeakPolarHBondContact CG2-O 3.44Å; L273-Y328 PolarHBondContact N-O 2.88Å; E326-Y328 HydrophobicContact CB-CE2 4.36Å; E326-Y328 VanDerWaalsContact CD-CE1 3.5Å; E326-Y328 HydrophobicContact CG-CD1 4.46Å; E326-Y328 HydrophobicContact CG-CE1 3.96Å; E326-Y328 VanDerWaalsContact OE2-CE1 3.31Å; E326-Y328 WeakPolarHBondContact OE2-CE1 3.21Å; E326-Y328 VanDerWaalsContact OE2-CZ 3.26Å; E326-Y328 PolarHBondContact OE2-OH 3.32Å; Y328-I350 HydrophobicContact CD1-CD1 3.59Å; Y328-I350 HydrophobicContact CD1-CG1 4.05Å; Y328-I350 HydrophobicContact CD1-CG2 4.42Å; Y328-I350 HydrophobicContact CD2-CD1 4.14Å; Y328-I350 HydrophobicContact CD2-CG2 3.56Å; Y328-I350 HydrophobicContact CE1-CD1 4.28Å; Y328-I350 HydrophobicContact CE1-CG1 4.24Å; Y328-I350 HydrophobicContact CE1-CG2 4.31Å; Y328-I350 HydrophobicContact CE2-CG2 3.38Å; Y328-I350 HydrophobicContact CG-CD1 3.52Å; Y328-I350 HydrophobicContact CG-CG1 4.22Å; Y328-I350 HydrophobicContact CG-CG2 4.08Å
329T97.5Very high91.5Very high26 Ų2658.3 Ų58.316%0.1631%0.313CS..EExtended strand (participates in β ladder)trans-96.8132.5-174.9-54.50000112.2L273 L275 Q311 E315L273-T329 HydrophobicContact CB-CG2 4.35Å; L273-T329 HydrophobicContact CD2-CG2 3.96Å; L273-T329 HydrophobicContact CG-CG2 4.19Å; L273-T329 CarbonylContact O-C 3.59Å; L273-T329 WeakPolarHBondContact O-CA 3.39Å; L275-T329 HydrophobicContact CD1-CG2 3.57Å; L275-T329 HydrophobicContact CG-CG2 3.85Å; Q311-T329 HydrophobicContact CG-CG2 3.97Å; E315-T329 WeakPolarHBondContact OE1-CB 3.48Å; E315-T329 PolarHBondContact OE1-OG1 2.83Å
330H98.1Very high91.7Very high37 Ų3751.9 Ų51.917%0.17129%0.285CS..EExtended strand (participates in β ladder)trans-132.7132.2174.7-64.9-84.9000111.7L273 F274 L275 T332 V343L273-H330 PolarHBondContact O-N 3Å; F274-H330 WeakPolarHBondContact CA-O 3.46Å; F274-H330 HydrophobicContact CD1-CB 4.14Å; F274-H330 HydrophobicContact CE1-CB 4.26Å; L275-H330 PolarHBondContact N-O 2.92Å; H330-T332 HydrophobicContact CB-CG2 4.3Å; H330-V343 HydrophobicContact CB-CG1 3.63Å; H330-V343 HydrophobicContact CB-CG2 4.22Å
331F98.4Very high92Very high53 Ų5354.9 Ų54.923%0.23230%0.296CS..EExtended strand (participates in β ladder)trans-79.6121.9168-64.3-81.4000110M234 L275 K278 A307 Q311M234-F331 HydrophobicContact CE-CD1 4.09Å; M234-F331 HydrophobicContact CE-CE1 3.81Å; M234-F331 HydrophobicContact SD-CD1 3.7Å; M234-F331 HydrophobicContact SD-CE1 3.98Å; L275-F331 HydrophobicContact CB-CD1 3.79Å; L275-F331 HydrophobicContact CB-CE1 4.02Å; L275-F331 HydrophobicContact CD1-CD1 4.04Å; L275-F331 HydrophobicContact CD1-CE1 3.42Å; L275-F331 VanDerWaalsContact CD1-CE1 3.42Å; L275-F331 HydrophobicContact CD1-CZ 3.77Å; L275-F331 HydrophobicContact CG-CE1 4.37Å; L275-F331 CarbonylContact O-C 3.55Å; L275-F331 WeakPolarHBondContact O-CA 3.5Å; K278-F331 HydrophobicContact CD-CB 4.01Å; A307-F331 HydrophobicContact CB-CD1 4.46Å; A307-F331 HydrophobicContact CB-CE1 3.68Å; A307-F331 HydrophobicContact CB-CZ 4.08Å; Q311-F331 HydrophobicContact CB-CZ 4.11Å; Q311-F331 VanDerWaalsContact OE1-CE2 3.28Å; Q311-F331 VanDerWaalsContact OE1-CZ 3.32Å
332T98.5Very high92.9Very high0 Ų057.1 Ų57.10%030%0.301CS..  trans-125.7150.3-171.149.60000113F274 L275 N276 K277 K278 H330 N339 I340 V343F274-T332 HydrophobicContact CB-CG2 4.43Å; F274-T332 HydrophobicContact CD1-CG2 4.21Å; F274-T332 HydrophobicContact CD2-CG2 3.97Å; F274-T332 HydrophobicContact CE1-CG2 4.47Å; F274-T332 HydrophobicContact CE2-CG2 4.28Å; F274-T332 HydrophobicContact CG-CG2 3.96Å; L275-T332 PolarHBondContact O-N 3.32Å; N276-T332 CarbonylContact C-O 3.59Å; N276-T332 VanDerWaalsContact CA-O 3.29Å; N276-T332 WeakPolarHBondContact CA-O 3.49Å; N276-T332 WeakPolarHBondContact CA-OG1 3.22Å; N276-T332 VanDerWaalsContact CB-OG1 3.3Å; N276-T332 WeakPolarHBondContact CB-OG1 3.48Å; N276-T332 PolarHBondContact OD1-O 3.21Å; N276-T332 PolarHBondContact OD1-OG1 3.34Å; K277-T332 PolarHBondContact N-O 3.36Å; K278-T332 WeakPolarHBondContact CG-O 3.29Å; K278-T332 PolarHBondContact N-O 3.08Å; K278-T332 VanDerWaalsContact N-O 3.17Å; H330-T332 HydrophobicContact CB-CG2 4.3Å; T332-N339 WeakPolarHBondContact CA-OD1 3.47Å; T332-I340 HydrophobicContact CG2-CD1 4.2Å; T332-V343 HydrophobicContact CG2-CB 4.24Å; T332-V343 HydrophobicContact CG2-CG1 3.87Å; T332-V343 HydrophobicContact CG2-CG2 4.01Å
333C98.2Very high93.8Very high9 Ų951.9 Ų51.96%0.06127%0.269CS..  trans-123.7100.1161.2176.60000106.5K278 D279 T335 D336 N339K278-C333 HydrophobicContact CG-CB 4.39Å; D279-C333 PolarHBondContact OD1-SG 3Å; C333-T335 PolarHBondContact O-N 2.68Å; C333-T335 VanDerWaalsContact O-N 3.07Å; C333-T335 PolarHBondContact SG-OG1 3.36Å; C333-D336 HydrophobicContact CB-CB 3.97Å; C333-D336 PolarHBondContact O-N 2.64Å; C333-N339 PolarHBondContact N-OD1 2.79Å
334A97.7Very high94.8Very high5 Ų548.3 Ų48.34%0.04123%0.231CC..THydrogen-bonded Turntrans-60.6-21.4-174.800000114.1T55 I56 Q59 N276T55-A334 HydrophobicContact CG2-CB 3.67Å; T55-A334 WeakPolarHBondContact CG2-O 3.35Å; I56-A334 HydrophobicContact CG1-CB 4.2Å; Q59-A334 VanDerWaalsContact CG-O 3.26Å; Q59-A334 WeakPolarHBondContact CG-O 3.49Å; Q59-A334 PolarHBondContact NE2-O 2.73Å; N276-A334 PolarHBondContact OD1-N 3.21Å
335T97.2Very high95.8Very high30 Ų3043.5 Ų43.518%0.18421%0.21CC..THydrogen-bonded Turntrans-84.9-10174.649.90000113.7T55 L182 R183 C333T55-T335 HydrophobicContact CG2-CG2 4.24Å; L182-T335 HydrophobicContact CB-CG2 4.3Å; R183-T335 HydrophobicContact CG-CG2 3.84Å; C333-T335 PolarHBondContact O-N 2.68Å; C333-T335 VanDerWaalsContact O-N 3.07Å; C333-T335 PolarHBondContact SG-OG1 3.36Å
336D97.8Very high96.2Very high68 Ų6844 Ų4436%0.36422%0.218SC..  trans-93.3105.5173.3177.7-9.6000109.8C333 N338 N339 I340C333-D336 HydrophobicContact CB-CB 3.97Å; C333-D336 PolarHBondContact O-N 2.64Å; D336-N338 VanDerWaalsContact C-N 3.26Å; D336-N338 PolarHBondContact O-N 2.96Å; D336-N338 WeakPolarHBondContact OD1-CB 3.45Å; D336-N338 PolarHBondContact OD1-N 3.25Å; D336-N339 HydrophobicContact CB-CB 3.84Å; D336-N339 PolarHBondContact O-N 3.29Å; D336-N339 PolarHBondContact OD1-N 3.23Å; D336-N339 VanDerWaalsContact OD1-N 3.09Å; D336-I340 PolarHBondContact O-N 3.45Å
337T97.4Very high96.4Very high32 Ų3238.3 Ų38.320%0.19619%0.191CC..Hα-helixtrans-60.6-33-178.9-51.40000112.9Q59 I62 I63 R341Q59-T337 PolarHBondContact NE2-OG1 3.48Å; Q59-T337 PolarHBondContact OE1-OG1 2.84Å; I62-T337 HydrophobicContact CG2-CG2 4.03Å; I63-T337 HydrophobicContact CD1-CG2 4.21Å; I63-T337 HydrophobicContact CG1-CG2 3.78Å; T337-R341 VanDerWaalsContact O-CB 3.27Å; T337-R341 WeakPolarHBondContact O-CB 3.44Å; T337-R341 PolarHBondContact O-N 3.17Å
338N97.1Very high96.4Very high112 Ų11237.4 Ų37.460%0.59919%0.186SC*.Hα-helixtrans-74.6-41.8179.2-70.4-32.7000111D336 R341 F342D336-N338 VanDerWaalsContact C-N 3.26Å; D336-N338 PolarHBondContact O-N 2.96Å; D336-N338 WeakPolarHBondContact OD1-CB 3.45Å; D336-N338 PolarHBondContact OD1-N 3.25Å; N338-R341 PolarHBondContact O-N 3.46Å; N338-R341 PolarHBondContact OD1-NH1 3.27Å; N338-F342 PolarHBondContact O-N 3.16Å
339N97.7Very high96.3Very high21 Ų2139 Ų3911%0.11220%0.198CC..Hα-helixtrans-59.3-47.3173.7176.7-105.9000111.4T332 C333 D336 F342 V343T332-N339 WeakPolarHBondContact CA-OD1 3.47Å; C333-N339 PolarHBondContact N-OD1 2.79Å; D336-N339 HydrophobicContact CB-CB 3.84Å; D336-N339 PolarHBondContact O-N 3.29Å; D336-N339 PolarHBondContact OD1-N 3.23Å; D336-N339 VanDerWaalsContact OD1-N 3.09Å; N339-F342 PolarHBondContact O-N 2.97Å; N339-V343 WeakPolarHBondContact O-CB 3.49Å; N339-V343 WeakPolarHBondContact O-CG2 3.43Å; N339-V343 PolarHBondContact O-N 3.26Å
340I97.8Very high95.8Very high2 Ų239 Ų391%0.0120%0.197CC..Hα-helixtrans-67.2-38.5179-65.8-57.3000112.2Q59 M60 I63 T332 D336 F342 V343 F344Q59-I340 HydrophobicContact CB-CB 4.44Å; Q59-I340 HydrophobicContact CB-CG2 3.78Å; Q59-I340 HydrophobicContact CG-CB 4.32Å; Q59-I340 HydrophobicContact CG-CG1 4.24Å; Q59-I340 HydrophobicContact CG-CG2 4.15Å; M60-I340 HydrophobicContact CE-CG2 3.78Å; I63-I340 HydrophobicContact CD1-CB 4.21Å; I63-I340 HydrophobicContact CD1-CG2 3.79Å; T332-I340 HydrophobicContact CG2-CD1 4.2Å; D336-I340 PolarHBondContact O-N 3.45Å; I340-F342 PolarHBondContact O-N 2.9Å; I340-V343 PolarHBondContact O-N 3.48Å; I340-F344 WeakPolarHBondContact O-CB 3.3Å; I340-F344 PolarHBondContact O-N 3.15Å
341R96.5Very high95.4Very high108 Ų10837.4 Ų37.441%0.40819%0.189SC..Hα-helixtrans-58.1-48.1174-177.8-179.5-76.2118.8-2.7111.5I63 T337 N338 D345I63-R341 HydrophobicContact CD1-CB 4.12Å; I63-R341 HydrophobicContact CG2-CB 4.33Å; I63-R341 HydrophobicContact CG2-CG 4.15Å; T337-R341 VanDerWaalsContact O-CB 3.27Å; T337-R341 WeakPolarHBondContact O-CB 3.44Å; T337-R341 PolarHBondContact O-N 3.17Å; N338-R341 PolarHBondContact O-N 3.46Å; N338-R341 PolarHBondContact OD1-NH1 3.27Å; R341-D345 WeakPolarHBondContact O-CB 3.39Å; R341-D345 PolarHBondContact O-N 3.29Å; R341-D345 VanDerWaalsContact O-N 3.11Å
342F96.1Very high94.9Very high151 Ų15137.4 Ų37.466%0.66219%0.194SC*.Hα-helixtrans-65-46.6179.5176.7-96.5000112.5N338 N339 I340 D345 A346N338-F342 PolarHBondContact O-N 3.16Å; N339-F342 PolarHBondContact O-N 2.97Å; I340-F342 PolarHBondContact O-N 2.9Å; F342-D345 WeakPolarHBondContact O-CB 3.42Å; F342-D345 PolarHBondContact O-N 3.39Å; F342-A346 PolarHBondContact O-N 2.68Å
343V95.2Very high94.2Very high4 Ų441.9 Ų41.92%0.02421%0.213CC..Hα-helixtrans-66.8-41-179171.60000111F274 H330 T332 N339 I340 D345 A346 V347F274-V343 HydrophobicContact CD1-CG1 4.29Å; F274-V343 HydrophobicContact CE1-CG1 3.41Å; F274-V343 VanDerWaalsContact CE1-CG1 3.41Å; F274-V343 HydrophobicContact CE2-CG1 4.35Å; F274-V343 HydrophobicContact CZ-CG1 3.47Å; F274-V343 VanDerWaalsContact CZ-CG1 3.47Å; H330-V343 HydrophobicContact CB-CG1 3.63Å; H330-V343 HydrophobicContact CB-CG2 4.22Å; T332-V343 HydrophobicContact CG2-CB 4.24Å; T332-V343 HydrophobicContact CG2-CG1 3.87Å; T332-V343 HydrophobicContact CG2-CG2 4.01Å; N339-V343 WeakPolarHBondContact O-CB 3.49Å; N339-V343 WeakPolarHBondContact O-CG2 3.43Å; N339-V343 PolarHBondContact O-N 3.26Å; I340-V343 PolarHBondContact O-N 3.48Å; V343-D345 VanDerWaalsContact C-N 3.29Å; V343-D345 PolarHBondContact O-N 3.05Å; V343-A346 PolarHBondContact O-N 2.83Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 2.94Å
344F94.8Very high93.4Very high3 Ų343.1 Ų43.11%0.01322%0.219CC..Hα-helixtrans-66.9-32178.8-164.8-96.6000112.5L43 M60 H64 F196 Y198 F203 M205 I340 V347 T348L43-F344 HydrophobicContact CD1-CE2 3.75Å; L43-F344 HydrophobicContact CD1-CZ 3.88Å; M60-F344 HydrophobicContact CE-CB 4.38Å; M60-F344 HydrophobicContact CE-CD2 4.01Å; M60-F344 HydrophobicContact CE-CE2 4.5Å; M60-F344 HydrophobicContact CE-CG 4.03Å; M60-F344 HydrophobicContact SD-CD1 4.12Å; M60-F344 HydrophobicContact SD-CD2 3.76Å; M60-F344 HydrophobicContact SD-CE1 4.03Å; M60-F344 HydrophobicContact SD-CE2 3.66Å; M60-F344 HydrophobicContact SD-CG 4Å; M60-F344 HydrophobicContact SD-CZ 3.81Å; H64-F344 AromaticContact NE2-CD1 3.5Å; H64-F344 WeakPolarHBondContact NE2-CD1 3.3Å; H64-F344 AromaticContact NE2-CE1 3.82Å; F196-F344 AromaticContact CE2-CE1 3.76Å; F196-F344 HydrophobicContact CE2-CE1 3.76Å; F196-F344 AromaticContact CE2-CZ 3.67Å; F196-F344 HydrophobicContact CE2-CZ 3.67Å; F196-F344 HydrophobicContact CZ-CE1 4.13Å; F196-F344 HydrophobicContact CZ-CE2 4.27Å; F196-F344 AromaticContact CZ-CZ 3.56Å; F196-F344 HydrophobicContact CZ-CZ 3.56Å; Y198-F344 HydrophobicContact CD1-CD1 4.13Å; Y198-F344 AromaticContact CD1-CE1 3.94Å; Y198-F344 HydrophobicContact CD1-CE1 3.94Å; Y198-F344 HydrophobicContact CE1-CD1 4.29Å; F203-F344 HydrophobicContact CD1-CZ 4.12Å; F203-F344 HydrophobicContact CE1-CE1 4.46Å; F203-F344 AromaticContact CE1-CZ 3.93Å; F203-F344 HydrophobicContact CE1-CZ 3.93Å; F203-F344 HydrophobicContact CE2-CE1 4.49Å; F203-F344 HydrophobicContact CZ-CE1 4.28Å; F203-F344 HydrophobicContact CZ-CZ 4.2Å; M205-F344 HydrophobicContact CE-CE2 3.92Å; M205-F344 HydrophobicContact CE-CZ 4.48Å; I340-F344 WeakPolarHBondContact O-CB 3.3Å; I340-F344 PolarHBondContact O-N 3.15Å; F344-V347 PolarHBondContact O-N 2.96Å; F344-T348 WeakPolarHBondContact O-CB 3.47Å; F344-T348 PolarHBondContact O-N 3.43Å; F344-T348 PolarHBondContact O-OG1 3.19Å
345D95.3Very high92.5Very high50 Ų5044.6 Ų44.627%0.26723%0.227SC..Hα-helixtrans-61-48.6171.5-165.953.5000111.9Y198 K199 R341 F342 V343 V347 T348 D349Y198-D345 PolarHBondContact OH-OD1 2.91Å; K199-D345 WeakPolarHBondContact CE-OD1 3.33Å; K199-D345 IonicContact NZ-OD1 3.18Å; K199-D345 PolarHBondContact NZ-OD1 3.07Å; K199-D345 IonicContact NZ-OD2 3.5Å; R341-D345 WeakPolarHBondContact O-CB 3.39Å; R341-D345 PolarHBondContact O-N 3.29Å; R341-D345 VanDerWaalsContact O-N 3.11Å; F342-D345 WeakPolarHBondContact O-CB 3.42Å; F342-D345 PolarHBondContact O-N 3.39Å; V343-D345 VanDerWaalsContact C-N 3.29Å; V343-D345 PolarHBondContact O-N 3.05Å; D345-V347 VanDerWaalsContact C-N 3.35Å; D345-V347 PolarHBondContact O-N 3.18Å; D345-T348 WeakPolarHBondContact O-CB 3.27Å; D345-T348 PolarHBondContact O-N 2.65Å; D345-T348 VanDerWaalsContact O-N 3.16Å; D345-D349 PolarHBondContact O-N 3.29Å
346A93.4Very high91.6Very high27 Ų2746.7 Ų46.722%0.22324%0.236CC..Hα-helixtrans-61.7-40.6176.100000112.6F342 V343 T348 D349 I350F342-A346 PolarHBondContact O-N 2.68Å; V343-A346 PolarHBondContact O-N 2.83Å; A346-T348 VanDerWaalsContact C-N 3.32Å; A346-T348 PolarHBondContact O-N 2.71Å; A346-D349 PolarHBondContact O-N 3.05Å; A346-I350 WeakPolarHBondContact O-CD1 3.33Å; A346-I350 WeakPolarHBondContact O-CG1 3.44Å; A346-I350 PolarHBondContact O-N 3.4Å; A346-I350 VanDerWaalsContact O-N 3.09Å
347V92.4Very high90.5Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-61.6-41.4174.5170.10000111.4I229 I272 F274 V343 F344 D345 D349 I350 I351I229-V347 HydrophobicContact CD1-CG1 4.5Å; I272-V347 HydrophobicContact CB-CG2 4.49Å; I272-V347 HydrophobicContact CD1-CG1 4.05Å; I272-V347 HydrophobicContact CG1-CG1 4.1Å; I272-V347 HydrophobicContact CG1-CG2 4.19Å; I272-V347 HydrophobicContact CG2-CG2 3.68Å; F274-V347 HydrophobicContact CE1-CG2 3.9Å; F274-V347 HydrophobicContact CZ-CG2 4.1Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 2.94Å; F344-V347 PolarHBondContact O-N 2.96Å; D345-V347 VanDerWaalsContact C-N 3.35Å; D345-V347 PolarHBondContact O-N 3.18Å; V347-D349 VanDerWaalsContact C-N 3.34Å; V347-D349 PolarHBondContact O-N 3.32Å; V347-I350 WeakPolarHBondContact O-CB 3.46Å; V347-I350 PolarHBondContact O-N 2.92Å; V347-I351 HydrophobicContact CG1-CD1 3.81Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.41Å; V347-I351 PolarHBondContact O-N 3.48Å
348T93.3Very high89.2Confident0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-63.5-42.5177.9-58.70000111Y198 K199 L201 F203 F344 D345 A346 I350 I351 V352Y198-T348 HydrophobicContact CD1-CG2 3.99Å; Y198-T348 WeakPolarHBondContact CD1-OG1 3.26Å; Y198-T348 HydrophobicContact CE1-CG2 4.09Å; K199-T348 HydrophobicContact CB-CG2 4.47Å; K199-T348 HydrophobicContact CD-CG2 4Å; L201-T348 HydrophobicContact CD1-CG2 4.05Å; F203-T348 HydrophobicContact CZ-CG2 4.04Å; F344-T348 WeakPolarHBondContact O-CB 3.47Å; F344-T348 PolarHBondContact O-N 3.43Å; F344-T348 PolarHBondContact O-OG1 3.19Å; D345-T348 WeakPolarHBondContact O-CB 3.27Å; D345-T348 PolarHBondContact O-N 2.65Å; D345-T348 VanDerWaalsContact O-N 3.16Å; A346-T348 VanDerWaalsContact C-N 3.32Å; A346-T348 PolarHBondContact O-N 2.71Å; T348-I350 VanDerWaalsContact C-N 3.32Å; T348-I350 PolarHBondContact O-N 3.05Å; T348-I351 PolarHBondContact O-N 3.11Å; T348-V352 HydrophobicContact CG2-CG2 4.38Å; T348-V352 WeakPolarHBondContact O-CG2 3.3Å; T348-V352 PolarHBondContact O-N 3.48Å
349D91.3Very high87.8Confident80 Ų8052.4 Ų52.443%0.42826%0.259SS..Hα-helixtrans-64.7-36.4178.4-70.1-6.7000112.3K199 D345 A346 V347 K353K199-D349 IonicContact NZ-OD1 3.68Å; K199-D349 PolarHBondContact NZ-OD1 2.92Å; K199-D349 IonicContact NZ-OD2 2.8Å; D345-D349 PolarHBondContact O-N 3.29Å; A346-D349 PolarHBondContact O-N 3.05Å; V347-D349 VanDerWaalsContact C-N 3.34Å; V347-D349 PolarHBondContact O-N 3.32Å; D349-K353 VanDerWaalsContact O-CB 3.31Å; D349-K353 WeakPolarHBondContact O-CB 3.41Å; D349-K353 PolarHBondContact O-N 3.27Å
350I88Confident86.2Confident28 Ų2854.3 Ų54.314%0.14428%0.284CS..Hα-helixtrans-61.1-48.4172.3-70158.3000110.6Y328 A346 V347 T348 K353 D354Y328-I350 HydrophobicContact CD1-CD1 3.59Å; Y328-I350 HydrophobicContact CD1-CG1 4.05Å; Y328-I350 HydrophobicContact CD1-CG2 4.42Å; Y328-I350 HydrophobicContact CD2-CD1 4.14Å; Y328-I350 HydrophobicContact CD2-CG2 3.56Å; Y328-I350 HydrophobicContact CE1-CD1 4.28Å; Y328-I350 HydrophobicContact CE1-CG1 4.24Å; Y328-I350 HydrophobicContact CE1-CG2 4.31Å; Y328-I350 HydrophobicContact CE2-CG2 3.38Å; Y328-I350 HydrophobicContact CG-CD1 3.52Å; Y328-I350 HydrophobicContact CG-CG1 4.22Å; Y328-I350 HydrophobicContact CG-CG2 4.08Å; A346-I350 WeakPolarHBondContact O-CD1 3.33Å; A346-I350 WeakPolarHBondContact O-CG1 3.44Å; A346-I350 PolarHBondContact O-N 3.4Å; A346-I350 VanDerWaalsContact O-N 3.09Å; V347-I350 WeakPolarHBondContact O-CB 3.46Å; V347-I350 PolarHBondContact O-N 2.92Å; T348-I350 VanDerWaalsContact C-N 3.32Å; T348-I350 PolarHBondContact O-N 3.05Å; I350-K353 PolarHBondContact O-N 3.24Å; I350-D354 PolarHBondContact O-N 3.13Å
351I88.6Confident84.2Confident2 Ų260.4 Ų60.41%0.0132%0.316CS..Hα-helixtrans-63.3-44.3-179.1-67.7163.6000110.9V41 L43 F203 T226 A227 V347 T348 K353 D354 N355V41-I351 HydrophobicContact CG1-CD1 4.16Å; V41-I351 HydrophobicContact CG1-CG2 3.96Å; V41-I351 HydrophobicContact CG2-CG2 4.04Å; L43-I351 HydrophobicContact CD2-CD1 3.7Å; F203-I351 HydrophobicContact CE1-CD1 4.35Å; T226-I351 HydrophobicContact CG2-CG2 3.93Å; A227-I351 HydrophobicContact CB-CD1 4.08Å; A227-I351 HydrophobicContact CB-CG1 4.05Å; V347-I351 HydrophobicContact CG1-CD1 3.81Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.41Å; V347-I351 PolarHBondContact O-N 3.48Å; T348-I351 PolarHBondContact O-N 3.11Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.42Å; I351-D354 PolarHBondContact O-N 2.69Å; I351-N355 WeakPolarHBondContact O-CB 3.42Å; I351-N355 PolarHBondContact O-N 3.28Å
352V87.9Confident81.7Confident53 Ų5364.8 Ų64.832%0.32134%0.338SS..Hα-helixtrans-60.1-45.6176.5170.80000110.5L201 T348 D354 N355 L356L201-V352 HydrophobicContact CD1-CG2 3.72Å; T348-V352 HydrophobicContact CG2-CG2 4.38Å; T348-V352 WeakPolarHBondContact O-CG2 3.3Å; T348-V352 PolarHBondContact O-N 3.48Å; V352-D354 VanDerWaalsContact C-N 3.33Å; V352-D354 PolarHBondContact O-N 3.48Å; V352-N355 PolarHBondContact O-N 2.89Å; V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.44Å; V352-L356 WeakPolarHBondContact O-CB 3.36Å; V352-L356 VanDerWaalsContact O-CG 3.27Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 3Å
353K84.7Confident81Confident95 Ų9560.5 Ų60.541%0.41332%0.322SS..Hα-helixtrans-61.8-40.6178.2-174.7-178.8-179-175.50112.2D349 I350 I351 L356 R357D349-K353 VanDerWaalsContact O-CB 3.31Å; D349-K353 WeakPolarHBondContact O-CB 3.41Å; D349-K353 PolarHBondContact O-N 3.27Å; I350-K353 PolarHBondContact O-N 3.24Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 3.42Å; K353-L356 PolarHBondContact O-N 3.12Å; K353-R357 VanDerWaalsContact CE-NH2 3.34Å; K353-R357 WeakPolarHBondContact O-CG 3.39Å; K353-R357 PolarHBondContact O-N 3.4Å; K353-R357 VanDerWaalsContact O-N 3.07Å
354D81.5Confident80.2Confident35 Ų3563.4 Ų63.419%0.18734%0.337CS..Hα-helixtrans-68.2-44.8178.3-161.939.2000111.5S270 I350 I351 V352 L356 R357 Q358S270-D354 PolarHBondContact OG-OD2 3.19Å; I350-D354 PolarHBondContact O-N 3.13Å; I351-D354 PolarHBondContact O-N 2.69Å; V352-D354 VanDerWaalsContact C-N 3.33Å; V352-D354 PolarHBondContact O-N 3.48Å; D354-L356 VanDerWaalsContact C-N 3.32Å; D354-L356 PolarHBondContact O-N 3.27Å; D354-R357 WeakPolarHBondContact O-CB 3.41Å; D354-R357 PolarHBondContact O-N 2.9Å; D354-R357 VanDerWaalsContact O-N 3.16Å; D354-Q358 WeakPolarHBondContact O-CG 3.29Å; D354-Q358 PolarHBondContact O-N 3.24Å
355N79.2Confident79.4Confident36 Ų3666.8 Ų66.819%0.19336%0.355CS..Hα-helixtrans-58.1-42173.9-75.4-6.7000112.2I351 V352 Q358 C359I351-N355 WeakPolarHBondContact O-CB 3.42Å; I351-N355 PolarHBondContact O-N 3.28Å; V352-N355 PolarHBondContact O-N 2.89Å; N355-Q358 PolarHBondContact O-N 2.9Å; N355-C359 PolarHBondContact O-N 2.94Å; N355-C359 VanDerWaalsContact O-N 3.11Å; N355-C359 PolarHBondContact O-SG 3.44Å
356L77Confident78.5Confident73 Ų7367.8 Ų67.838%0.38236%0.361SS..Hα-helixtrans-65.7-38.7177-71.9172.9000112.6V352 K353 D354 C359 G360 L361V352-L356 HydrophobicContact CG1-CD1 4Å; V352-L356 HydrophobicContact CG1-CG 4.44Å; V352-L356 WeakPolarHBondContact O-CB 3.36Å; V352-L356 VanDerWaalsContact O-CG 3.27Å; V352-L356 WeakPolarHBondContact O-CG 3.35Å; V352-L356 PolarHBondContact O-N 3Å; K353-L356 PolarHBondContact O-N 3.12Å; D354-L356 VanDerWaalsContact C-N 3.32Å; D354-L356 PolarHBondContact O-N 3.27Å; L356-C359 PolarHBondContact O-N 2.85Å; L356-G360 PolarHBondContact O-N 3.07Å; L356-L361 HydrophobicContact CD2-CD1 4.01Å; L356-L361 PolarHBondContact O-N 2.81Å; L356-L361 VanDerWaalsContact O-N 3.14Å
357R74.7Confident77.6Confident113 Ų11370.3 Ų70.343%0.42637%0.369SS..Hα-helixtrans-63.5-43.8174.1-76.5171.2172.6178.9-6.5111.6K353 D354 C359 G360 F362K353-R357 VanDerWaalsContact CE-NH2 3.34Å; K353-R357 WeakPolarHBondContact O-CG 3.39Å; K353-R357 PolarHBondContact O-N 3.4Å; K353-R357 VanDerWaalsContact O-N 3.07Å; D354-R357 WeakPolarHBondContact O-CB 3.41Å; D354-R357 PolarHBondContact O-N 2.9Å; D354-R357 VanDerWaalsContact O-N 3.16Å; R357-C359 PolarHBondContact O-N 3.42Å; R357-G360 PolarHBondContact O-N 2.93Å; R357-F362 HydrophobicContact CG-CB 4.14Å
358Q71.5Confident76.6Confident128 Ų12875 Ų7560%0.59839%0.394SS*.Hα-helixtrans-63.6-30.3177.4-68.7-17813.700112.4D354 N355 G360D354-Q358 WeakPolarHBondContact O-CG 3.29Å; D354-Q358 PolarHBondContact O-N 3.24Å; N355-Q358 PolarHBondContact O-N 2.9Å; Q358-G360 VanDerWaalsContact C-N 3.3Å; Q358-G360 PolarHBondContact O-N 3.03Å
359C68.2Low75.4Confident92 Ų9280.4 Ų80.462%0.62242%0.422SS*.THydrogen-bonded Turntrans-80.2-2.6174.8-63.70000114.4N355 L356 R357 L361N355-C359 PolarHBondContact O-N 2.94Å; N355-C359 VanDerWaalsContact O-N 3.11Å; N355-C359 PolarHBondContact O-SG 3.44Å; L356-C359 PolarHBondContact O-N 2.85Å; R357-C359 PolarHBondContact O-N 3.42Å; C359-L361 VanDerWaalsContact C-N 3.34Å; C359-L361 HydrophobicContact CB-CD1 4.25Å; C359-L361 HydrophobicContact CB-CG 4.34Å
360G62.1Low74.2Confident61 Ų6180.4 Ų80.463%0.62942%0.421SS*.THydrogen-bonded Turntrans72.621.8-178.900000114.9L356 R357 Q358L356-G360 PolarHBondContact O-N 3.07Å; R357-G360 PolarHBondContact O-N 2.93Å; Q358-G360 VanDerWaalsContact C-N 3.3Å; Q358-G360 PolarHBondContact O-N 3.03Å
361L56.8Low73Confident129 Ų12984.8 Ų84.868%0.67545%0.445SS*.  trans-93.711.5-179.2-68.4172.2000113.6L356 C359L356-L361 HydrophobicContact CD2-CD1 4.01Å; L356-L361 PolarHBondContact O-N 2.81Å; L356-L361 VanDerWaalsContact O-N 3.14Å; C359-L361 VanDerWaalsContact C-N 3.34Å; C359-L361 HydrophobicContact CB-CD1 4.25Å; C359-L361 HydrophobicContact CB-CG 4.34Å
362F44.2Very low71.6Confident200 Ų20092.3 Ų92.388%0.87748%0.484SS*.  trans-135.80-178.2-148.5-84.7000113R357R357-F362 HydrophobicContact CG-CB 4.14Å

Retrieved 362 of 362 residues in 256.8 ms (Link to these results)

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