A0A087Y1V1_POEFO Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087Y1V1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M43.2Very low35.2Very low217 Ų217132.3 Ų132.3100%1.06966%0.657SS**  0-39.60-70.6-141.5-116.600114.8F3 A4 Q5M1-F3 PolarHBondContact O-N 2.99Å; M1-A4 PolarHBondContact O-N 3.39Å; M1-Q5 PolarHBondContact O-N 3.36Å
2R33.3Very low36.6Very low223 Ų223125.3 Ų125.384%0.84263%0.63SS**Hα-helixtrans-66-30.7177.5-74.9-176.7176.5177.4-0.8115.5F6R2-F6 PolarHBondContact O-N 2.75Å
3F28.1Very low37.9Very low169 Ų169123.2 Ų123.274%0.74162%0.621SS**Hα-helixtrans-72.7-33.4177.5-108.3-91.7000113.6M1 F6 L7M1-F3 PolarHBondContact O-N 2.99Å; F3-F6 PolarHBondContact O-N 2.71Å; F3-L7 WeakPolarHBondContact O-CG 3.43Å; F3-L7 PolarHBondContact O-N 3.37Å
4A30.6Very low39.5Very low57 Ų57120.1 Ų120.147%0.47162%0.624SS.*Hα-helixtrans-70.6-36.6175.900000111.8M1 F6 L7 L8M1-A4 PolarHBondContact O-N 3.39Å; A4-F6 VanDerWaalsContact C-N 3.31Å; A4-F6 PolarHBondContact O-N 2.64Å; A4-L7 PolarHBondContact O-N 2.89Å; A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å; A4-L8 PolarHBondContact O-N 3.45Å
5Q35.8Very low42.2Very low139 Ų139113.5 Ų113.565%0.6560%0.597SS**Hα-helixtrans-64.9-32.8171.5-106.6172.5-13.300112.9M1 K9M1-Q5 PolarHBondContact O-N 3.36Å; Q5-K9 WeakPolarHBondContact O-CB 3.37Å; Q5-K9 PolarHBondContact O-N 2.74Å; Q5-K9 VanDerWaalsContact O-N 3.13Å
6F31Very low45Very low121 Ų121107.8 Ų107.853%0.53157%0.566SS.*Hα-helixtrans-72-40.7175.7-172.2-99.3000112.3R2 F3 A4 K9 N10R2-F6 PolarHBondContact O-N 2.75Å; F3-F6 PolarHBondContact O-N 2.71Å; A4-F6 VanDerWaalsContact C-N 3.31Å; A4-F6 PolarHBondContact O-N 2.64Å; F6-K9 PolarHBondContact O-N 3.13Å; F6-N10 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N10 PolarHBondContact O-N 2.83Å; F6-N10 VanDerWaalsContact O-N 3.11Å
7L31.2Very low47.6Very low117 Ų117106.8 Ų106.861%0.61357%0.568SS**Hα-helixtrans-71.1-36.8176.8-71.3169.2000112.9F3 A4 K9 N10 G11F3-L7 WeakPolarHBondContact O-CG 3.43Å; F3-L7 PolarHBondContact O-N 3.37Å; A4-L7 PolarHBondContact O-N 2.89Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-N10 PolarHBondContact O-N 3.27Å; L7-G11 PolarHBondContact O-N 3.45Å; L7-G11 VanDerWaalsContact O-N 3.1Å
8L37.4Very low50.1Low133 Ų133109.8 Ų109.870%0.69658%0.575SS**Hα-helixtrans-65.6-35.2171.7-76.9162.9000112.2A4 S12A4-L8 WeakPolarHBondContact O-CB 3.36Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å; A4-L8 PolarHBondContact O-N 3.45Å; L8-S12 WeakPolarHBondContact O-CB 3.3Å; L8-S12 PolarHBondContact O-N 3.03Å; L8-S12 VanDerWaalsContact O-N 3.16Å
9K39.4Very low52.5Low148 Ų148105.8 Ų105.864%0.64355%0.554SS**Hα-helixtrans-63.4-41.1171.5-102-175.4171.5-175.20112.5Q5 F6 L7 S12 L13Q5-K9 WeakPolarHBondContact O-CB 3.37Å; Q5-K9 PolarHBondContact O-N 2.74Å; Q5-K9 VanDerWaalsContact O-N 3.13Å; F6-K9 PolarHBondContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.34Å; K9-S12 PolarHBondContact O-N 3.19Å; K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.48Å; K9-L13 PolarHBondContact O-N 2.86Å; K9-L13 VanDerWaalsContact O-N 3.1Å
10N36Very low54.6Low77 Ų77101 Ų10141%0.41253%0.528SS..Hα-helixtrans-72.2-31.9-179.9-75.3-13000113.4F6 L7F6-N10 WeakPolarHBondContact CE1-ND2 3.37Å; F6-N10 PolarHBondContact O-N 2.83Å; F6-N10 VanDerWaalsContact O-N 3.11Å; L7-N10 PolarHBondContact O-N 3.27Å
11G41.6Very low56.5Low54 Ų5499.6 Ų99.656%0.55752%0.519SS*.Hα-helixtrans-69.2-34.5171.400000113.6L7L7-G11 PolarHBondContact O-N 3.45Å; L7-G11 VanDerWaalsContact O-N 3.1Å
12S51.8Low59Low48 Ų4894.9 Ų94.934%0.33649%0.489SS..Hα-helixtrans-68.8-38175.2172.40000112.6L8 K9 A14 G15L8-S12 WeakPolarHBondContact O-CB 3.3Å; L8-S12 PolarHBondContact O-N 3.03Å; L8-S12 VanDerWaalsContact O-N 3.16Å; K9-S12 PolarHBondContact O-N 3.19Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.24Å; S12-G15 PolarHBondContact O-N 3.04Å; S12-G15 VanDerWaalsContact O-N 3.12Å
13L53.8Low62Low98 Ų9884.7 Ų84.751%0.51345%0.452SS..Hα-helixtrans-64.2-33.3178.1-73.6165.2000113.4K9 G15 I16K9-L13 VanDerWaalsContact O-CG 3.31Å; K9-L13 WeakPolarHBondContact O-CG 3.48Å; K9-L13 PolarHBondContact O-N 2.86Å; K9-L13 VanDerWaalsContact O-N 3.1Å; L13-G15 PolarHBondContact O-N 3.08Å; L13-I16 HydrophobicContact CB-CD1 4.45Å; L13-I16 HydrophobicContact CD2-CD1 3.58Å; L13-I16 PolarHBondContact O-N 3.27Å
14A59.4Low65.3Low81 Ų8176.9 Ų76.967%0.66942%0.418SS*.THydrogen-bonded Turntrans-66-19.2176.100000113.3S12S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 3.24Å
15G80.1Confident68.5Low20 Ų2081.1 Ų81.121%0.20643%0.426CS..THydrogen-bonded Turntrans-83.6-16.217900000114.7S12 L13 K18 Q19S12-G15 PolarHBondContact O-N 3.04Å; S12-G15 VanDerWaalsContact O-N 3.12Å; L13-G15 PolarHBondContact O-N 3.08Å; G15-K18 WeakPolarHBondContact O-CB 3.36Å; G15-K18 PolarHBondContact O-N 3.01Å; G15-K18 VanDerWaalsContact O-N 3.16Å; G15-Q19 WeakPolarHBondContact O-CG 3.25Å; G15-Q19 PolarHBondContact O-N 3.2Å
16I87.1Confident71.4Confident22 Ų2279.9 Ų79.911%0.11342%0.418CS..Hα-helixtrans-57.6-52.9-172.1-65160.5000112L13 K18 Q19 V20 M65 M93L13-I16 HydrophobicContact CB-CD1 4.45Å; L13-I16 HydrophobicContact CD2-CD1 3.58Å; L13-I16 PolarHBondContact O-N 3.27Å; I16-K18 PolarHBondContact O-N 3.08Å; I16-Q19 PolarHBondContact O-N 3.09Å; I16-Q19 VanDerWaalsContact O-N 3.08Å; I16-V20 HydrophobicContact CG2-CG2 4.14Å; I16-V20 WeakPolarHBondContact O-CG2 2.95Å; I16-V20 PolarHBondContact O-N 3.48Å; I16-M65 HydrophobicContact CG2-CE 4.26Å; I16-M93 HydrophobicContact CD1-CG 4.39Å; I16-M93 HydrophobicContact CG1-CG 3.66Å; I16-M93 HydrophobicContact CG1-SD 3.79Å
17P90.1Very high74.5Confident92 Ų9278.1 Ų78.160%0.59742%0.421SS*.Hα-helixtrans-59.8-35.4-178.7-23.535.3000112.3E21P17-E21 VanDerWaalsContact O-CB 3.28Å; P17-E21 WeakPolarHBondContact O-CB 3.5Å; P17-E21 PolarHBondContact O-N 3.43Å
18K92.8Very high77.7Confident161 Ų16173 Ų7370%0.740%0.395SS*.Hα-helixtrans-67.2-41.4177.2-174.8180178.3-179.10111.8G15 I16 R22G15-K18 WeakPolarHBondContact O-CB 3.36Å; G15-K18 PolarHBondContact O-N 3.01Å; G15-K18 VanDerWaalsContact O-N 3.16Å; I16-K18 PolarHBondContact O-N 3.08Å; K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 PolarHBondContact O-N 3.11Å
19Q94.3Very high80.6Confident34 Ų3469.2 Ų69.216%0.15938%0.379CS..Hα-helixtrans-69.5-41.2176.7-62.6-58.1-18.300111.6G15 I16 E21 R22 F23 L92 M93 V96G15-Q19 WeakPolarHBondContact O-CG 3.25Å; G15-Q19 PolarHBondContact O-N 3.2Å; I16-Q19 PolarHBondContact O-N 3.09Å; I16-Q19 VanDerWaalsContact O-N 3.08Å; Q19-E21 VanDerWaalsContact C-N 3.35Å; Q19-E21 PolarHBondContact O-N 2.95Å; Q19-R22 PolarHBondContact O-N 3.37Å; Q19-F23 HydrophobicContact CB-CD2 4.43Å; Q19-F23 VanDerWaalsContact O-CD2 3.31Å; Q19-F23 WeakPolarHBondContact O-CD2 3.33Å; Q19-F23 PolarHBondContact O-N 3.39Å; Q19-L92 HydrophobicContact CB-CD2 4.23Å; Q19-M93 HydrophobicContact CG-SD 4.17Å; Q19-V96 HydrophobicContact CB-CG2 4.48Å; Q19-V96 HydrophobicContact CG-CG1 4.37Å; Q19-V96 HydrophobicContact CG-CG2 4.3Å
20V94.9Very high83.4Confident8 Ų865.4 Ų65.45%0.04837%0.369CS..Hα-helixtrans-59-46.9174175.40000110.6I16 R22 F23 S24 M65 K66 L92I16-V20 HydrophobicContact CG2-CG2 4.14Å; I16-V20 WeakPolarHBondContact O-CG2 2.95Å; I16-V20 PolarHBondContact O-N 3.48Å; V20-R22 VanDerWaalsContact C-N 3.33Å; V20-R22 PolarHBondContact O-N 3.03Å; V20-F23 PolarHBondContact O-N 3.13Å; V20-S24 WeakPolarHBondContact O-CB 3.26Å; V20-S24 PolarHBondContact O-N 3.46Å; V20-S24 PolarHBondContact O-OG 3.17Å; V20-M65 HydrophobicContact CG1-CB 4.17Å; V20-M65 HydrophobicContact CG2-CB 4.31Å; V20-M65 HydrophobicContact CG2-CE 3.59Å; V20-M65 HydrophobicContact CG2-SD 4.1Å; V20-K66 HydrophobicContact CG1-CB 4.27Å; V20-K66 HydrophobicContact CG1-CD 4.38Å; V20-L92 HydrophobicContact CG2-CD2 3.63Å
21E94.8Very high86.4Confident73 Ų7363.1 Ų63.134%0.34136%0.357SS..Hα-helixtrans-64.9-34.3177.7-175.761-14900112.7P17 Q19 K25 K66P17-E21 VanDerWaalsContact O-CB 3.28Å; P17-E21 WeakPolarHBondContact O-CB 3.5Å; P17-E21 PolarHBondContact O-N 3.43Å; Q19-E21 VanDerWaalsContact C-N 3.35Å; Q19-E21 PolarHBondContact O-N 2.95Å; E21-K25 WeakPolarHBondContact O-CD 3.38Å; E21-K25 VanDerWaalsContact O-CE 3.3Å; E21-K25 WeakPolarHBondContact O-CE 3.37Å; E21-K25 WeakPolarHBondContact O-CG 3.38Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.74Å; E21-K25 PolarHBondContact OE1-NZ 3.37Å; E21-K25 VanDerWaalsContact OE1-NZ 3.11Å; E21-K66 WeakPolarHBondContact OE2-CE 3.49Å; E21-K66 IonicContact OE2-NZ 2.77Å; E21-K66 PolarHBondContact OE2-NZ 2.92Å
22R95.4Very high89.1Confident117 Ų11761 Ų6144%0.44233%0.334SS..Hα-helixtrans-66.4-53.9174.3178.1-174.5178.2-175.22111K18 Q19 V20 F26K18-R22 WeakPolarHBondContact O-CB 3.46Å; K18-R22 PolarHBondContact O-N 3.11Å; Q19-R22 PolarHBondContact O-N 3.37Å; V20-R22 VanDerWaalsContact C-N 3.33Å; V20-R22 PolarHBondContact O-N 3.03Å; R22-F26 HydrophobicContact CG-CE2 4.49Å; R22-F26 WeakPolarHBondContact O-CD2 3.49Å; R22-F26 VanDerWaalsContact O-CE2 3.3Å; R22-F26 WeakPolarHBondContact O-CE2 3.3Å
23F97.4Very high91.2Very high10 Ų1058.8 Ų58.84%0.04432%0.318CS..Hα-helixtrans-80.7-27.3-169.2-77.6-70.5000113.9Q19 V20 K25 F26 P58 V59 A62 V96 L99Q19-F23 HydrophobicContact CB-CD2 4.43Å; Q19-F23 VanDerWaalsContact O-CD2 3.31Å; Q19-F23 WeakPolarHBondContact O-CD2 3.33Å; Q19-F23 PolarHBondContact O-N 3.39Å; V20-F23 PolarHBondContact O-N 3.13Å; F23-K25 PolarHBondContact O-N 3Å; F23-F26 HydrophobicContact CD1-CD2 4.38Å; F23-F26 PolarHBondContact O-N 2.87Å; F23-P58 HydrophobicContact CD1-CB 3.84Å; F23-P58 HydrophobicContact CD2-CB 4.05Å; F23-P58 HydrophobicContact CE1-CB 3.92Å; F23-P58 HydrophobicContact CE2-CB 4.14Å; F23-P58 HydrophobicContact CG-CB 3.92Å; F23-P58 HydrophobicContact CZ-CB 4.07Å; F23-V59 HydrophobicContact CD1-CG2 3.88Å; F23-A62 HydrophobicContact CB-CB 3.33Å; F23-V96 HydrophobicContact CE2-CG2 3.92Å; F23-L99 HydrophobicContact CE1-CD2 4.43Å; F23-L99 HydrophobicContact CE2-CD1 4.09Å; F23-L99 HydrophobicContact CZ-CD1 3.61Å; F23-L99 HydrophobicContact CZ-CD2 3.93Å; F23-L99 HydrophobicContact CZ-CG 4.4Å
24S96.9Very high93.2Very high4 Ų458.3 Ų58.33%0.02831%0.312CS..THydrogen-bonded Turntrans-68-13.4176.258.90000114.1V20 F26V20-S24 WeakPolarHBondContact O-CB 3.26Å; V20-S24 PolarHBondContact O-N 3.46Å; V20-S24 PolarHBondContact O-OG 3.17Å; S24-F26 VanDerWaalsContact C-N 3.35Å
25K96.5Very high94.9Very high147 Ų14759.2 Ų59.264%0.63930%0.302SS*.THydrogen-bonded Turntrans-78.4-19.6174.7-69.7173.2-175.3171.40113.2E21 F23E21-K25 WeakPolarHBondContact O-CD 3.38Å; E21-K25 VanDerWaalsContact O-CE 3.3Å; E21-K25 WeakPolarHBondContact O-CE 3.37Å; E21-K25 WeakPolarHBondContact O-CG 3.38Å; E21-K25 WeakPolarHBondContact OE1-CE 3.48Å; E21-K25 IonicContact OE1-NZ 2.74Å; E21-K25 PolarHBondContact OE1-NZ 3.37Å; E21-K25 VanDerWaalsContact OE1-NZ 3.11Å; F23-K25 PolarHBondContact O-N 3Å
26F97.4Very high95.6Very high113 Ų11358.9 Ų58.950%0.49630%0.295SS..SBendtrans-87143.8176.8-59.8-83.7000109.8R22 F23 S24 V59 N63R22-F26 HydrophobicContact CG-CE2 4.49Å; R22-F26 WeakPolarHBondContact O-CD2 3.49Å; R22-F26 VanDerWaalsContact O-CE2 3.3Å; R22-F26 WeakPolarHBondContact O-CE2 3.3Å; F23-F26 HydrophobicContact CD1-CD2 4.38Å; F23-F26 PolarHBondContact O-N 2.87Å; S24-F26 VanDerWaalsContact C-N 3.35Å; F26-V59 HydrophobicContact CB-CG1 3.91Å; F26-V59 HydrophobicContact CB-CG2 3.78Å; F26-V59 HydrophobicContact CD2-CG2 4.39Å; F26-V59 HydrophobicContact CG-CG2 4.33Å; F26-N63 PolarHBondContact O-ND2 3.44Å
27S97Very high95.9Very high83 Ų8358.9 Ų58.958%0.5830%0.295SS*.PPolyproline II helixtrans-82.7132.3173.1-63.50000109.7
28P98.3Very high96Very high10 Ų1057.9 Ų57.97%0.06529%0.285CS..PPolyproline II helixtrans-53.4143169.1-28.536.2000112.5P30 E56 V59 R60 L373P28-P30 VanDerWaalsContact O-CD 3.31Å; P28-P30 WeakPolarHBondContact O-CD 3.3Å; P28-E56 WeakPolarHBondContact CA-OE1 3.42Å; P28-V59 HydrophobicContact CG-CG1 4.21Å; P28-R60 HydrophobicContact CB-CG 4.09Å; P28-R60 HydrophobicContact CG-CG 4.4Å; P28-L373 HydrophobicContact CB-CB 4.2Å; P28-L373 HydrophobicContact CB-CD1 3.67Å
29S98.3Very high95.9Very high53 Ų5352.8 Ų52.837%0.37126%0.263SS..  trans-96.7106.9-179.2-46.80000109.6E56 R60S29-E56 VanDerWaalsContact CB-OE2 3.26Å; S29-E56 WeakPolarHBondContact CB-OE2 3.45Å; S29-E56 PolarHBondContact N-OE1 3.36Å; S29-E56 PolarHBondContact N-OE2 3.46Å; S29-E56 PolarHBondContact OG-OE2 2.98Å; S29-R60 PolarHBondContact O-NH2 3.26Å
30P98Very high95.4Very high68 Ų6852 Ų5244%0.44226%0.264SS..  trans-75.2138.2178.431.1-34.6000111.5P28 V370 E371 L373P28-P30 VanDerWaalsContact O-CD 3.31Å; P28-P30 WeakPolarHBondContact O-CD 3.3Å; P30-V370 HydrophobicContact CB-CG1 4Å; P30-E371 HydrophobicContact CB-CB 3.99Å; P30-E371 WeakPolarHBondContact CB-O 3.29Å; P30-L373 HydrophobicContact CB-CD1 4.04Å; P30-L373 HydrophobicContact CB-CG 4.36Å
31L97.9Very high94.7Very high30 Ų3055.1 Ų55.116%0.15729%0.286CS..  trans-109.7144.9175.1-59.9178.3000110.9F36 F52 L168 E371L31-F36 HydrophobicContact CB-CD2 4.22Å; L31-F36 HydrophobicContact CB-CE2 3.69Å; L31-F36 HydrophobicContact CB-CZ 3.88Å; L31-F36 HydrophobicContact CD1-CD1 4.34Å; L31-F36 HydrophobicContact CD1-CE1 3.67Å; L31-F36 HydrophobicContact CD1-CE2 4.3Å; L31-F36 HydrophobicContact CD1-CZ 3.65Å; L31-F36 HydrophobicContact CG-CZ 4.36Å; L31-F52 HydrophobicContact CD1-CE1 3.9Å; L31-F52 HydrophobicContact CD1-CZ 3.89Å; L31-F52 HydrophobicContact CD2-CZ 4.31Å; L31-F52 HydrophobicContact CG-CZ 4.28Å; L31-L168 HydrophobicContact CD1-CD2 4.01Å; L31-E371 WeakPolarHBondContact CB-OE2 3.27Å; L31-E371 PolarHBondContact N-OE2 3.37Å; L31-E371 VanDerWaalsContact O-CG 3.32Å; L31-E371 WeakPolarHBondContact O-CG 3.27Å; L31-E371 PolarHBondContact O-N 2.96Å
32S98Very high93.4Very high10 Ų1055.4 Ų55.47%0.0730%0.301CS..BIsolated β-bridgetrans-82.5155.4167.660.30000111.8K34 Q35 F36 S369S32-K34 PolarHBondContact O-N 3.12Å; S32-Q35 PolarHBondContact O-N 3.18Å; S32-Q35 VanDerWaalsContact O-N 3.08Å; S32-Q35 VanDerWaalsContact OG-CG 3.29Å; S32-Q35 WeakPolarHBondContact OG-CG 3.4Å; S32-Q35 PolarHBondContact OG-N 3.23Å; S32-Q35 VanDerWaalsContact OG-N 3.07Å; S32-Q35 PolarHBondContact OG-OE1 3.49Å; S32-F36 VanDerWaalsContact O-CD2 3.32Å; S32-F36 WeakPolarHBondContact O-CD2 3.48Å; S32-F36 PolarHBondContact O-N 3.08Å; S32-F36 VanDerWaalsContact O-N 3.07Å; S32-S369 CarbonylContact C-O 3.46Å; S32-S369 VanDerWaalsContact CA-O 3.3Å; S32-S369 WeakPolarHBondContact CA-O 3.13Å
33M96.5Very high92.2Very high0 Ų055.4 Ų55.40%031%0.31CS..Hα-helixtrans-55.4-37.3167.8-79-177.5147.400111.6Q35 F36 I37 V239 Y240 V241 F342 S369M33-Q35 PolarHBondContact O-N 3.06Å; M33-F36 PolarHBondContact O-N 3.36Å; M33-I37 PolarHBondContact O-N 3.07Å; M33-V239 HydrophobicContact CB-CG1 4.15Å; M33-V239 HydrophobicContact SD-CG1 4.24Å; M33-Y240 HydrophobicContact CE-CD2 3.54Å; M33-Y240 HydrophobicContact CE-CE2 3.89Å; M33-Y240 HydrophobicContact CE-CG 4.01Å; M33-Y240 HydrophobicContact SD-CD2 3.93Å; M33-Y240 HydrophobicContact SD-CE2 4.37Å; M33-V241 HydrophobicContact CE-CG2 3.91Å; M33-F342 HydrophobicContact CE-CD2 3.55Å; M33-F342 HydrophobicContact CE-CE2 3.48Å; M33-F342 VanDerWaalsContact CE-CE2 3.48Å; M33-F342 HydrophobicContact CE-CG 4.17Å; M33-F342 HydrophobicContact CE-CZ 4.03Å; M33-F342 HydrophobicContact CG-CD1 4.05Å; M33-F342 HydrophobicContact CG-CE1 3.86Å; M33-F342 HydrophobicContact CG-CE2 4.35Å; M33-F342 HydrophobicContact CG-CG 4.37Å; M33-F342 HydrophobicContact CG-CZ 4.01Å; M33-F342 HydrophobicContact SD-CD2 4.35Å; M33-F342 HydrophobicContact SD-CG 4.39Å; M33-S369 PolarHBondContact N-O 3.39Å
34K95.4Very high91.3Very high88 Ų8857.4 Ų57.438%0.38333%0.328SS..Hα-helixtrans-57.4-47.6173.2177.5164.7175.247.50112.1S32 F36 I37 D38 S366S32-K34 PolarHBondContact O-N 3.12Å; K34-F36 VanDerWaalsContact C-N 3.35Å; K34-F36 PolarHBondContact O-N 2.97Å; K34-I37 PolarHBondContact O-N 2.96Å; K34-D38 WeakPolarHBondContact CE-OD2 3.48Å; K34-D38 VanDerWaalsContact CG-OD2 3.3Å; K34-D38 WeakPolarHBondContact CG-OD2 3.43Å; K34-D38 IonicContact NZ-OD1 2.74Å; K34-D38 PolarHBondContact NZ-OD1 3.15Å; K34-D38 VanDerWaalsContact NZ-OD1 3.13Å; K34-D38 IonicContact NZ-OD2 3.85Å; K34-D38 PolarHBondContact NZ-OD2 2.93Å; K34-D38 WeakPolarHBondContact O-CB 3.32Å; K34-D38 PolarHBondContact O-N 2.88Å; K34-S366 PolarHBondContact N-O 2.9Å
35Q95.9Very high91Very high100 Ų10059.6 Ų59.647%0.46734%0.343SS..Hα-helixtrans-62.6-39.9177.1-75.8165.2-62.400112.5S32 M33 F39S32-Q35 PolarHBondContact O-N 3.18Å; S32-Q35 VanDerWaalsContact O-N 3.08Å; S32-Q35 VanDerWaalsContact OG-CG 3.29Å; S32-Q35 WeakPolarHBondContact OG-CG 3.4Å; S32-Q35 PolarHBondContact OG-N 3.23Å; S32-Q35 VanDerWaalsContact OG-N 3.07Å; S32-Q35 PolarHBondContact OG-OE1 3.49Å; M33-Q35 PolarHBondContact O-N 3.06Å; Q35-F39 VanDerWaalsContact O-CB 3.25Å; Q35-F39 WeakPolarHBondContact O-CB 3.31Å; Q35-F39 PolarHBondContact O-N 3.18Å
36F95.1Very high90.8Very high14 Ų1455.3 Ų55.36%0.06133%0.325CS..Hα-helixtrans-61.2-43.4174.9-78.3-65.2000112.4L31 S32 M33 K34 G40 M167 L168 Q171 I191 E371L31-F36 HydrophobicContact CB-CD2 4.22Å; L31-F36 HydrophobicContact CB-CE2 3.69Å; L31-F36 HydrophobicContact CB-CZ 3.88Å; L31-F36 HydrophobicContact CD1-CD1 4.34Å; L31-F36 HydrophobicContact CD1-CE1 3.67Å; L31-F36 HydrophobicContact CD1-CE2 4.3Å; L31-F36 HydrophobicContact CD1-CZ 3.65Å; L31-F36 HydrophobicContact CG-CZ 4.36Å; S32-F36 VanDerWaalsContact O-CD2 3.32Å; S32-F36 WeakPolarHBondContact O-CD2 3.48Å; S32-F36 PolarHBondContact O-N 3.08Å; S32-F36 VanDerWaalsContact O-N 3.07Å; M33-F36 PolarHBondContact O-N 3.36Å; K34-F36 VanDerWaalsContact C-N 3.35Å; K34-F36 PolarHBondContact O-N 2.97Å; F36-G40 PolarHBondContact O-N 2.86Å; F36-G40 VanDerWaalsContact O-N 3.08Å; F36-M167 HydrophobicContact CD2-CE 4.21Å; F36-M167 HydrophobicContact CE2-CE 4.23Å; F36-M167 HydrophobicContact CE2-CG 4.4Å; F36-M167 HydrophobicContact CG-CE 4.4Å; F36-M167 HydrophobicContact CZ-CE 4.44Å; F36-M167 HydrophobicContact CZ-CG 4.1Å; F36-L168 HydrophobicContact CE1-CD2 3.78Å; F36-L168 HydrophobicContact CZ-CD2 3.8Å; F36-Q171 HydrophobicContact CD1-CG 3.89Å; F36-Q171 HydrophobicContact CE1-CG 3.99Å; F36-I191 HydrophobicContact CB-CD1 3.37Å; F36-I191 HydrophobicContact CD2-CD1 4.3Å; F36-I191 HydrophobicContact CG-CD1 4.01Å; F36-E371 HydrophobicContact CE2-CG 4.36Å
37I92.9Very high90.6Very high22 Ų2253.5 Ų53.511%0.11332%0.317CS..Hα-helixtrans-67.1-52.3177.7-75.4-176.7000111.2M33 K34 F39 G40 S41 I188 I191 P193 V239M33-I37 PolarHBondContact O-N 3.07Å; K34-I37 PolarHBondContact O-N 2.96Å; I37-F39 PolarHBondContact O-N 3.37Å; I37-G40 PolarHBondContact O-N 3.3Å; I37-S41 WeakPolarHBondContact O-CB 3.36Å; I37-S41 PolarHBondContact O-N 3.42Å; I37-S41 PolarHBondContact O-OG 2.99Å; I37-I188 HydrophobicContact CB-CD1 4.24Å; I37-I188 HydrophobicContact CD1-CD1 4.45Å; I37-I188 HydrophobicContact CG1-CD1 3.92Å; I37-I188 HydrophobicContact CG2-CD1 3.86Å; I37-I191 HydrophobicContact CD1-CG2 3.93Å; I37-I191 HydrophobicContact CG1-CD1 4.49Å; I37-I191 HydrophobicContact CG1-CG2 3.97Å; I37-P193 HydrophobicContact CD1-CB 4.26Å; I37-V239 HydrophobicContact CD1-CB 4.27Å; I37-V239 HydrophobicContact CD1-CG1 3.31Å; I37-V239 HydrophobicContact CD1-CG2 3.95Å; I37-V239 HydrophobicContact CG1-CG1 4.45Å
38D91.7Very high90.5Very high71 Ų7153.4 Ų53.438%0.3831%0.313SS..Hα-helixtrans-58.3-36.1-177.2-68.3-13.9000110.4K34K34-D38 WeakPolarHBondContact CE-OD2 3.48Å; K34-D38 VanDerWaalsContact CG-OD2 3.3Å; K34-D38 WeakPolarHBondContact CG-OD2 3.43Å; K34-D38 IonicContact NZ-OD1 2.74Å; K34-D38 PolarHBondContact NZ-OD1 3.15Å; K34-D38 VanDerWaalsContact NZ-OD1 3.13Å; K34-D38 IonicContact NZ-OD2 3.85Å; K34-D38 PolarHBondContact NZ-OD2 2.93Å; K34-D38 WeakPolarHBondContact O-CB 3.32Å; K34-D38 PolarHBondContact O-N 2.88Å
39F90.3Very high90.4Very high53 Ų5353.5 Ų53.523%0.23231%0.314CS..Hα-helixtrans-65-53.3172.1178.9-99.1000112.4Q35 I37 N43 A44 C45 T48 F176Q35-F39 VanDerWaalsContact O-CB 3.25Å; Q35-F39 WeakPolarHBondContact O-CB 3.31Å; Q35-F39 PolarHBondContact O-N 3.18Å; I37-F39 PolarHBondContact O-N 3.37Å; F39-N43 CarbonylContact O-C 3.57Å; F39-N43 PolarHBondContact O-N 3.27Å; F39-A44 WeakPolarHBondContact O-CA 3.44Å; F39-A44 PolarHBondContact O-N 3.07Å; F39-C45 WeakPolarHBondContact CZ-O 3.45Å; F39-T48 HydrophobicContact CE2-CG2 4.19Å; F39-F176 HydrophobicContact CE1-CE2 4.1Å; F39-F176 AromaticContact CE1-CZ 3.91Å; F39-F176 HydrophobicContact CE1-CZ 3.91Å; F39-F176 HydrophobicContact CZ-CE2 4.35Å; F39-F176 AromaticContact CZ-CZ 3.97Å; F39-F176 HydrophobicContact CZ-CZ 3.97Å
40G84.5Confident90.4Very high17 Ų1751 Ų5118%0.17530%0.296CS..Hα-helixtrans-78.8-21.2-171.800000115.6F36 I37 I188F36-G40 PolarHBondContact O-N 2.86Å; F36-G40 VanDerWaalsContact O-N 3.08Å; I37-G40 PolarHBondContact O-N 3.3Å; G40-I188 VanDerWaalsContact CA-CG2 3.5Å
41S79.8Confident90.3Very high75 Ų7550.1 Ų50.152%0.52429%0.29SS..Hα-helixtrans-88.9-42.4-178.3-63.10000114.7I37 I188I37-S41 WeakPolarHBondContact O-CB 3.36Å; I37-S41 PolarHBondContact O-N 3.42Å; I37-S41 PolarHBondContact O-OG 2.99Å; S41-I188 WeakPolarHBondContact OG-CD1 3.26Å; S41-I188 WeakPolarHBondContact OG-CG1 3.49Å
42A68.6Low90.4Very high79 Ų7951.8 Ų51.865%0.65330%0.296SS*.Hα-helixtrans-115.2-25.8-169.100000113.5
43N68.8Low90.4Very high116 Ų11651.5 Ų51.562%0.6229%0.293SS*.  trans-134.731.8-168.5-67.7-46.7000112.5F39 C45F39-N43 CarbonylContact O-C 3.57Å; F39-N43 PolarHBondContact O-N 3.27Å; N43-C45 VanDerWaalsContact C-N 3.33Å; N43-C45 PolarHBondContact O-N 2.89Å
44A79.2Confident90.4Very high52 Ų5253 Ų5343%0.4330%0.299SS..  trans-62.994.6-176.100000110.1F39 I175 F176F39-A44 WeakPolarHBondContact O-CA 3.44Å; F39-A44 PolarHBondContact O-N 3.07Å; A44-I175 HydrophobicContact CB-CG2 4.11Å; A44-F176 HydrophobicContact CB-CE1 4.33Å; A44-F176 HydrophobicContact CB-CZ 4.49Å
45C90.1Very high90.5Very high50 Ų5054.2 Ų54.234%0.33831%0.306SS..  trans-117.7106.9-176.5179.10000108.6F39 N43 K47 T48 S49F39-C45 WeakPolarHBondContact CZ-O 3.45Å; N43-C45 VanDerWaalsContact C-N 3.33Å; N43-C45 PolarHBondContact O-N 2.89Å; C45-K47 PolarHBondContact O-N 3.44Å; C45-T48 PolarHBondContact O-N 3.15Å; C45-T48 VanDerWaalsContact O-N 3.08Å; C45-T48 PolarHBondContact SG-OG1 3.44Å; C45-T48 VanDerWaalsContact SG-OG1 3.36Å; C45-S49 PolarHBondContact O-N 3.38Å
46E92.6Very high90.6Very high58 Ų5849.9 Ų49.927%0.27129%0.286SS..Hα-helixtrans-55.9-41.3-178.5-170.8176.9-164.900111.2T48 S49 F50 L109 F176E46-T48 PolarHBondContact O-N 2.84Å; E46-S49 WeakPolarHBondContact O-CB 3.48Å; E46-S49 PolarHBondContact O-N 3.13Å; E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.22Å; E46-L109 HydrophobicContact CG-CB 4.43Å; E46-L109 HydrophobicContact CG-CD1 4.26Å; E46-F176 HydrophobicContact CB-CD1 3.62Å; E46-F176 HydrophobicContact CB-CD2 4.46Å; E46-F176 HydrophobicContact CB-CE1 3.76Å; E46-F176 HydrophobicContact CB-CG 4.01Å; E46-F176 HydrophobicContact CB-CZ 4.27Å; E46-F176 HydrophobicContact CG-CB 4.1Å; E46-F176 HydrophobicContact CG-CD1 3.96Å; E46-F176 HydrophobicContact CG-CD2 4.23Å; E46-F176 HydrophobicContact CG-CE1 4.49Å; E46-F176 HydrophobicContact CG-CG 3.83Å
47K94.1Very high90.8Very high75 Ų7549.3 Ų49.333%0.32628%0.283SS..Hα-helixtrans-55.5-49.2175.3-173.7179.9-175.5174.20112.3C45 S49 F50 V51 P103 D104C45-K47 PolarHBondContact O-N 3.44Å; K47-S49 VanDerWaalsContact C-N 3.35Å; K47-F50 PolarHBondContact O-N 3.18Å; K47-V51 WeakPolarHBondContact O-CG2 3.3Å; K47-V51 PolarHBondContact O-N 2.87Å; K47-P103 HydrophobicContact CD-CB 4.43Å; K47-P103 HydrophobicContact CG-CB 3.89Å; K47-P103 WeakPolarHBondContact CG-O 3.36Å; K47-D104 WeakPolarHBondContact CE-OD1 3.33Å; K47-D104 IonicContact NZ-OD1 2.64Å; K47-D104 PolarHBondContact NZ-OD1 3.27Å; K47-D104 IonicContact NZ-OD2 2.71Å; K47-D104 PolarHBondContact NZ-OD2 2.86Å
48T94.2Very high91.1Very high80 Ų8048.2 Ų48.249%0.49128%0.278SS..Hα-helixtrans-65.3-41179.4-580000110.9F39 C45 E46 V51 F52F39-T48 HydrophobicContact CE2-CG2 4.19Å; C45-T48 PolarHBondContact O-N 3.15Å; C45-T48 VanDerWaalsContact O-N 3.08Å; C45-T48 PolarHBondContact SG-OG1 3.44Å; C45-T48 VanDerWaalsContact SG-OG1 3.36Å; E46-T48 PolarHBondContact O-N 2.84Å; T48-V51 PolarHBondContact O-N 3.38Å; T48-F52 WeakPolarHBondContact O-CB 3.37Å; T48-F52 PolarHBondContact O-N 3.35Å; T48-F52 VanDerWaalsContact O-N 3.09Å
49S96.6Very high91.4Very high13 Ų1345.4 Ų45.49%0.09126%0.263CS..Hα-helixtrans-61.4-46.3175-164.30000111.9C45 E46 K47 F52 L53 H172C45-S49 PolarHBondContact O-N 3.38Å; E46-S49 WeakPolarHBondContact O-CB 3.48Å; E46-S49 PolarHBondContact O-N 3.13Å; K47-S49 VanDerWaalsContact C-N 3.35Å; S49-F52 PolarHBondContact O-N 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.18Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.38Å; S49-L53 PolarHBondContact O-N 2.8Å; S49-H172 WeakPolarHBondContact CB-ND1 3.38Å; S49-H172 PolarHBondContact OG-ND1 3.25Å
50F97.7Very high91.8Very high0 Ų043 Ų430%025%0.253CS..Hα-helixtrans-58.5-50.6176.8167.3-109.2000112E46 K47 F52 L53 R54 F98 K101 P103 V108 L109 F112E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.22Å; K47-F50 PolarHBondContact O-N 3.18Å; F50-F52 VanDerWaalsContact C-N 3.28Å; F50-F52 PolarHBondContact O-N 2.86Å; F50-L53 PolarHBondContact O-N 3.3Å; F50-R54 HydrophobicContact CE2-CB 4.31Å; F50-R54 WeakPolarHBondContact O-CB 3.39Å; F50-R54 VanDerWaalsContact O-CG 3.3Å; F50-R54 WeakPolarHBondContact O-CG 3.23Å; F50-R54 PolarHBondContact O-N 2.85Å; F50-F98 HydrophobicContact CE2-CB 4.02Å; F50-F98 AromaticContact CE2-CD1 3.9Å; F50-F98 HydrophobicContact CE2-CD1 3.9Å; F50-F98 HydrophobicContact CE2-CG 4.28Å; F50-F98 HydrophobicContact CZ-CB 4.3Å; F50-F98 HydrophobicContact CZ-CD1 4.35Å; F50-K101 HydrophobicContact CZ-CB 4.34Å; F50-P103 HydrophobicContact CD1-CB 3.78Å; F50-P103 HydrophobicContact CE1-CB 3.84Å; F50-V108 HydrophobicContact CE1-CG1 4.31Å; F50-V108 HydrophobicContact CE2-CG1 4.13Å; F50-V108 HydrophobicContact CZ-CG1 3.71Å; F50-L109 HydrophobicContact CB-CD2 3.55Å; F50-L109 HydrophobicContact CD1-CD2 3.74Å; F50-L109 HydrophobicContact CD2-CD2 4.18Å; F50-L109 HydrophobicContact CE1-CD2 4.5Å; F50-L109 HydrophobicContact CG-CD2 3.55Å; F50-F112 HydrophobicContact CD2-CB 3.89Å; F50-F112 AromaticContact CD2-CD1 3.59Å; F50-F112 HydrophobicContact CD2-CD1 3.59Å; F50-F112 AromaticContact CD2-CD2 3.79Å; F50-F112 HydrophobicContact CD2-CD2 3.79Å; F50-F112 AromaticContact CD2-CE1 3.94Å; F50-F112 HydrophobicContact CD2-CE1 3.94Å; F50-F112 HydrophobicContact CD2-CE2 4.14Å; F50-F112 AromaticContact CD2-CG 3.48Å; F50-F112 HydrophobicContact CD2-CG 3.48Å; F50-F112 VanDerWaalsContact CD2-CG 3.48Å; F50-F112 HydrophobicContact CD2-CZ 4.21Å; F50-F112 HydrophobicContact CE2-CB 3.96Å; F50-F112 HydrophobicContact CE2-CD1 4.33Å; F50-F112 AromaticContact CE2-CD2 3.71Å; F50-F112 HydrophobicContact CE2-CD2 3.71Å; F50-F112 HydrophobicContact CE2-CE2 4.23Å; F50-F112 AromaticContact CE2-CG 3.75Å; F50-F112 HydrophobicContact CE2-CG 3.75Å
51V97.5Very high92.5Very high50 Ų5042.4 Ų42.430%0.30325%0.245SC..Hα-helixtrans-60.6-39.1-179.2170.50000111.6K47 T48 R54 P103K47-V51 WeakPolarHBondContact O-CG2 3.3Å; K47-V51 PolarHBondContact O-N 2.87Å; T48-V51 PolarHBondContact O-N 3.38Å; V51-R54 WeakPolarHBondContact O-CG 3.41Å; V51-P103 HydrophobicContact CG2-CB 3.75Å; V51-P103 HydrophobicContact CG2-CG 4.32Å
52F98.1Very high93.4Very high64 Ų6438.9 Ų38.928%0.28122%0.22SC..Hα-helixtrans-67.7-54.1174.5174.9-104.7000111.8L31 T48 S49 F50 R54 Q55 E56 L168L31-F52 HydrophobicContact CD1-CE1 3.9Å; L31-F52 HydrophobicContact CD1-CZ 3.89Å; L31-F52 HydrophobicContact CD2-CZ 4.31Å; L31-F52 HydrophobicContact CG-CZ 4.28Å; T48-F52 WeakPolarHBondContact O-CB 3.37Å; T48-F52 PolarHBondContact O-N 3.35Å; T48-F52 VanDerWaalsContact O-N 3.09Å; S49-F52 PolarHBondContact O-N 3.3Å; F50-F52 VanDerWaalsContact C-N 3.28Å; F50-F52 PolarHBondContact O-N 2.86Å; F52-R54 PolarHBondContact O-N 3.34Å; F52-Q55 PolarHBondContact O-N 3.38Å; F52-Q55 VanDerWaalsContact O-N 3.15Å; F52-E56 HydrophobicContact CD1-CB 4.4Å; F52-E56 HydrophobicContact CE1-CB 4Å; F52-E56 HydrophobicContact CE1-CG 3.98Å; F52-E56 HydrophobicContact CE2-CB 4.12Å; F52-E56 HydrophobicContact CE2-CG 4.23Å; F52-E56 HydrophobicContact CZ-CB 3.85Å; F52-E56 HydrophobicContact CZ-CG 3.63Å; F52-E56 WeakPolarHBondContact O-CB 2.94Å; F52-E56 PolarHBondContact O-N 2.91Å; F52-L168 HydrophobicContact CE1-CD1 4.39Å; F52-L168 HydrophobicContact CE1-CD2 4.1Å
53L98.3Very high94.8Very high4 Ų435.2 Ų35.22%0.02119%0.19CC..Hα-helixtrans-70-33-171.1-68.9178.2000113.8S49 F50 Q55 E56 L57 F112 L116 L168 H172S49-L53 WeakPolarHBondContact O-CB 3.18Å; S49-L53 VanDerWaalsContact O-CG 3.24Å; S49-L53 WeakPolarHBondContact O-CG 3.38Å; S49-L53 PolarHBondContact O-N 2.8Å; F50-L53 PolarHBondContact O-N 3.3Å; L53-Q55 PolarHBondContact O-N 3.24Å; L53-E56 PolarHBondContact O-N 3.18Å; L53-L57 HydrophobicContact CB-CD1 4.13Å; L53-L57 HydrophobicContact CB-CG 4.43Å; L53-L57 HydrophobicContact CD2-CD1 4.43Å; L53-L57 HydrophobicContact CD2-CG 4.26Å; L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 3.49Å; L53-F112 HydrophobicContact CB-CE1 4.03Å; L53-F112 HydrophobicContact CB-CZ 3.72Å; L53-F112 HydrophobicContact CD1-CE1 4.37Å; L53-L116 HydrophobicContact CD1-CD1 4.21Å; L53-L168 HydrophobicContact CD2-CB 3.72Å; L53-L168 HydrophobicContact CD2-CD1 3.79Å; L53-L168 HydrophobicContact CD2-CD2 4.1Å; L53-L168 HydrophobicContact CD2-CG 4.08Å; L53-H172 HydrophobicContact CD1-CB 3.54Å
54R97.4Very high96.2Very high32 Ų3229.8 Ų29.812%0.12116%0.161CC..Hα-helixtrans-63.9-18.8175.376.5-174.9-176.3166.9-2.6112.8F50 V51 F52 P58 F98 L99 K101 F112F50-R54 HydrophobicContact CE2-CB 4.31Å; F50-R54 WeakPolarHBondContact O-CB 3.39Å; F50-R54 VanDerWaalsContact O-CG 3.3Å; F50-R54 WeakPolarHBondContact O-CG 3.23Å; F50-R54 PolarHBondContact O-N 2.85Å; V51-R54 WeakPolarHBondContact O-CG 3.41Å; F52-R54 PolarHBondContact O-N 3.34Å; R54-P58 WeakPolarHBondContact O-CD 3.26Å; R54-P58 WeakPolarHBondContact O-CG 3.23Å; R54-F98 HydrophobicContact CB-CB 4.35Å; R54-F98 PolarHBondContact NH1-O 3.39Å; R54-L99 PolarHBondContact NH1-O 2.81Å; R54-L99 VanDerWaalsContact O-CD2 3.25Å; R54-L99 WeakPolarHBondContact O-CD2 2.99Å; R54-K101 PolarHBondContact NH1-O 2.71Å; R54-F112 HydrophobicContact CB-CE2 4.25Å
55Q97.6Very high97.1Very high114 Ų11427.8 Ų27.853%0.53314%0.143SC..Hα-helixtrans-98.7-49.3173.2-64.6-174.6-10.300111.5F52 L53 P58 V59F52-Q55 PolarHBondContact O-N 3.38Å; F52-Q55 VanDerWaalsContact O-N 3.15Å; L53-Q55 PolarHBondContact O-N 3.24Å; Q55-P58 WeakPolarHBondContact O-CD 3.36Å; Q55-V59 WeakPolarHBondContact O-CG2 3.21Å; Q55-V59 PolarHBondContact O-N 3.18Å
56E98.7Very high97.4Very high8 Ų827 Ų274%0.03713%0.134CC..Hα-helixtrans-68.7-39.1-172.2-176.662.9-156.900113P28 S29 F52 L53 V59 R60 L168P28-E56 WeakPolarHBondContact CA-OE1 3.42Å; S29-E56 VanDerWaalsContact CB-OE2 3.26Å; S29-E56 WeakPolarHBondContact CB-OE2 3.45Å; S29-E56 PolarHBondContact N-OE1 3.36Å; S29-E56 PolarHBondContact N-OE2 3.46Å; S29-E56 PolarHBondContact OG-OE2 2.98Å; F52-E56 HydrophobicContact CD1-CB 4.4Å; F52-E56 HydrophobicContact CE1-CB 4Å; F52-E56 HydrophobicContact CE1-CG 3.98Å; F52-E56 HydrophobicContact CE2-CB 4.12Å; F52-E56 HydrophobicContact CE2-CG 4.23Å; F52-E56 HydrophobicContact CZ-CB 3.85Å; F52-E56 HydrophobicContact CZ-CG 3.63Å; F52-E56 WeakPolarHBondContact O-CB 2.94Å; F52-E56 PolarHBondContact O-N 2.91Å; L53-E56 PolarHBondContact O-N 3.18Å; E56-V59 PolarHBondContact O-N 3.37Å; E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CG 3.3Å; E56-R60 PolarHBondContact O-N 3.22Å; E56-R60 WeakPolarHBondContact OE1-CG 3.38Å; E56-R60 IonicContact OE1-CZ 2.67Å; E56-R60 IonicContact OE1-NE 2.75Å; E56-R60 PolarHBondContact OE1-NE 3.33Å; E56-R60 IonicContact OE1-NH2 3.92Å; E56-R60 PolarHBondContact OE1-NH2 3.07Å; E56-L168 HydrophobicContact CG-CD1 3.85Å
57L98.7Very high97.7Very high2 Ų224.3 Ų24.31%0.0112%0.121CC..Hα-helixtrans-65.1-47.4179.9-69.1171.8000112.2L53 V59 R60 L61 L95 L116 T165 L168 M169L53-L57 HydrophobicContact CB-CD1 4.13Å; L53-L57 HydrophobicContact CB-CG 4.43Å; L53-L57 HydrophobicContact CD2-CD1 4.43Å; L53-L57 HydrophobicContact CD2-CG 4.26Å; L53-L57 WeakPolarHBondContact O-CB 3.4Å; L53-L57 PolarHBondContact O-N 3.49Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 3.48Å; L57-R60 PolarHBondContact O-N 3.04Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.96Å; L57-L95 HydrophobicContact CB-CD1 3.69Å; L57-L95 HydrophobicContact CB-CD2 4.38Å; L57-L95 HydrophobicContact CD1-CD1 4.47Å; L57-L95 HydrophobicContact CD1-CD2 4.04Å; L57-L116 HydrophobicContact CD1-CD2 3.54Å; L57-T165 HydrophobicContact CD2-CG2 4.22Å; L57-L168 HydrophobicContact CD2-CB 4.09Å; L57-L168 HydrophobicContact CD2-CD1 4Å; L57-M169 HydrophobicContact CD1-CG 4.11Å; L57-M169 HydrophobicContact CD2-CG 4.26Å
58P98.6Very high97.7Very high0 Ų020.9 Ų20.90%011%0.106CC..Hα-helixtrans-54.6-40.7170.2-30.937.6000114.1F23 R54 Q55 A62 L92 L95F23-P58 HydrophobicContact CD1-CB 3.84Å; F23-P58 HydrophobicContact CD2-CB 4.05Å; F23-P58 HydrophobicContact CE1-CB 3.92Å; F23-P58 HydrophobicContact CE2-CB 4.14Å; F23-P58 HydrophobicContact CG-CB 3.92Å; F23-P58 HydrophobicContact CZ-CB 4.07Å; R54-P58 WeakPolarHBondContact O-CD 3.26Å; R54-P58 WeakPolarHBondContact O-CG 3.23Å; Q55-P58 WeakPolarHBondContact O-CD 3.36Å; P58-A62 WeakPolarHBondContact O-CB 3.32Å; P58-A62 PolarHBondContact O-N 2.99Å; P58-L92 HydrophobicContact CB-CD1 3.82Å; P58-L95 HydrophobicContact CG-CB 3.88Å
59V98.7Very high97.6Very high11 Ų1121.4 Ų21.47%0.06711%0.106CC..Hα-helixtrans-61.2-50.8177.2171.70000111F23 F26 P28 Q55 E56 L57 L61 A62 N63F23-V59 HydrophobicContact CD1-CG2 3.88Å; F26-V59 HydrophobicContact CB-CG1 3.91Å; F26-V59 HydrophobicContact CB-CG2 3.78Å; F26-V59 HydrophobicContact CD2-CG2 4.39Å; F26-V59 HydrophobicContact CG-CG2 4.33Å; P28-V59 HydrophobicContact CG-CG1 4.21Å; Q55-V59 WeakPolarHBondContact O-CG2 3.21Å; Q55-V59 PolarHBondContact O-N 3.18Å; E56-V59 PolarHBondContact O-N 3.37Å; L57-V59 VanDerWaalsContact C-N 3.29Å; L57-V59 PolarHBondContact O-N 3.48Å; V59-L61 PolarHBondContact O-N 3.06Å; V59-A62 PolarHBondContact O-N 2.95Å; V59-N63 WeakPolarHBondContact O-CB 3.43Å; V59-N63 PolarHBondContact O-N 3.48Å; V59-N63 PolarHBondContact O-ND2 2.93Å
60R98.7Very high97.5Very high4 Ų425 Ų252%0.01512%0.118CC..Hα-helixtrans-63.1-42.5179.9-68.4-175-174.1-161.84.9112.4P28 S29 E56 L57 I64 S164 T165 L168 E371P28-R60 HydrophobicContact CB-CG 4.09Å; P28-R60 HydrophobicContact CG-CG 4.4Å; S29-R60 PolarHBondContact O-NH2 3.26Å; E56-R60 HydrophobicContact CG-CG 4.45Å; E56-R60 WeakPolarHBondContact O-CG 3.3Å; E56-R60 PolarHBondContact O-N 3.22Å; E56-R60 WeakPolarHBondContact OE1-CG 3.38Å; E56-R60 IonicContact OE1-CZ 2.67Å; E56-R60 IonicContact OE1-NE 2.75Å; E56-R60 PolarHBondContact OE1-NE 3.33Å; E56-R60 IonicContact OE1-NH2 3.92Å; E56-R60 PolarHBondContact OE1-NH2 3.07Å; L57-R60 PolarHBondContact O-N 3.04Å; R60-I64 PolarHBondContact O-N 3.33Å; R60-S164 PolarHBondContact NH1-O 3.14Å; R60-S164 PolarHBondContact NH1-OG 3.29Å; R60-T165 HydrophobicContact CB-CG2 3.74Å; R60-L168 VanDerWaalsContact CZ-CD1 3.41Å; R60-E371 IonicContact CZ-OE1 2.72Å; R60-E371 IonicContact CZ-OE2 3.86Å; R60-E371 IonicContact NH1-OE1 3.26Å; R60-E371 PolarHBondContact NH1-OE1 3.04Å; R60-E371 IonicContact NH1-OE2 3.57Å; R60-E371 IonicContact NH2-OE1 3.6Å; R60-E371 PolarHBondContact NH2-OE1 2.7Å; R60-E371 IonicContact NH2-OE2 3.39Å; R60-E371 PolarHBondContact NH2-OE2 3.24Å
61L98.5Very high97.3Very high4 Ų425.2 Ų25.22%0.02112%0.12CC..Hα-helixtrans-65.8-47.4177.2-67.8179000111.5L57 V59 N63 I64 M65 Y88 L95 T165L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.31Å; L57-L61 PolarHBondContact O-N 2.96Å; V59-L61 PolarHBondContact O-N 3.06Å; L61-N63 PolarHBondContact O-N 3.27Å; L61-I64 VanDerWaalsContact O-CG2 3.31Å; L61-I64 WeakPolarHBondContact O-CG2 3.33Å; L61-I64 PolarHBondContact O-N 2.99Å; L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.5Å; L61-M65 PolarHBondContact O-N 2.98Å; L61-Y88 HydrophobicContact CD2-CD1 3.66Å; L61-Y88 HydrophobicContact CD2-CE1 3.66Å; L61-L95 HydrophobicContact CD1-CD1 3.59Å; L61-T165 HydrophobicContact CD2-CG2 4.34Å
62A98.4Very high97Very high0 Ų024.6 Ų24.60%012%0.116CC..Hα-helixtrans-66.1-38-17800000112.8F23 P58 V59 I64 M65 K66F23-A62 HydrophobicContact CB-CB 3.33Å; P58-A62 WeakPolarHBondContact O-CB 3.32Å; P58-A62 PolarHBondContact O-N 2.99Å; V59-A62 PolarHBondContact O-N 2.95Å; A62-I64 PolarHBondContact O-N 2.92Å; A62-M65 PolarHBondContact O-N 3.37Å; A62-K66 WeakPolarHBondContact O-CB 3.46Å; A62-K66 PolarHBondContact O-N 3.18Å
63N98.5Very high96.8Very high3 Ų328.2 Ų28.22%0.01614%0.139CC..Hα-helixtrans-56.7-49.2175.1-90.9-101000111F26 V59 L61 K66 E67 F376F26-N63 PolarHBondContact O-ND2 3.44Å; V59-N63 WeakPolarHBondContact O-CB 3.43Å; V59-N63 PolarHBondContact O-N 3.48Å; V59-N63 PolarHBondContact O-ND2 2.93Å; L61-N63 PolarHBondContact O-N 3.27Å; N63-K66 PolarHBondContact O-N 3.44Å; N63-E67 PolarHBondContact O-N 2.85Å; N63-F376 HydrophobicContact CB-CB 4.22Å; N63-F376 WeakPolarHBondContact OD1-CB 3.49Å; N63-F376 PolarHBondContact OD1-N 3.19Å
64I98.3Very high96.5Very high1 Ų133.8 Ų33.81%0.00516%0.163CC..Hα-helixtrans-76.2-33.5-178.9-164.264.9000113.1R60 L61 A62 K66 E67 I68 Y88 F154 R157 F158R60-I64 PolarHBondContact O-N 3.33Å; L61-I64 VanDerWaalsContact O-CG2 3.31Å; L61-I64 WeakPolarHBondContact O-CG2 3.33Å; L61-I64 PolarHBondContact O-N 2.99Å; A62-I64 PolarHBondContact O-N 2.92Å; I64-K66 PolarHBondContact O-N 2.98Å; I64-E67 HydrophobicContact CD1-CB 4.3Å; I64-E67 PolarHBondContact O-N 2.88Å; I64-E67 VanDerWaalsContact O-N 3.14Å; I64-I68 PolarHBondContact O-N 3.47Å; I64-Y88 HydrophobicContact CG2-CD1 4.35Å; I64-Y88 HydrophobicContact CG2-CE1 3.96Å; I64-F154 HydrophobicContact CD1-CE2 4.17Å; I64-R157 HydrophobicContact CD1-CB 4.42Å; I64-F158 VanDerWaalsContact CD1-CA 3.49Å; I64-F158 HydrophobicContact CD1-CB 4.02Å; I64-F158 HydrophobicContact CD1-CD2 4.32Å; I64-F158 HydrophobicContact CG1-CB 4.24Å; I64-F158 HydrophobicContact CG1-CD2 3.63Å; I64-F158 HydrophobicContact CG1-CE2 4.49Å; I64-F158 HydrophobicContact CG1-CG 4.41Å
65M97.9Very high96.4Very high11 Ų1132.2 Ų32.25%0.05416%0.157CC..Hα-helixtrans-59.9-37.4171.9-73.7173.274.500111.3I16 V20 L61 A62 E67 I68 D69 Y88 L92I16-M65 HydrophobicContact CG2-CE 4.26Å; V20-M65 HydrophobicContact CG1-CB 4.17Å; V20-M65 HydrophobicContact CG2-CB 4.31Å; V20-M65 HydrophobicContact CG2-CE 3.59Å; V20-M65 HydrophobicContact CG2-SD 4.1Å; L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.5Å; L61-M65 PolarHBondContact O-N 2.98Å; A62-M65 PolarHBondContact O-N 3.37Å; M65-E67 VanDerWaalsContact C-N 3.3Å; M65-E67 PolarHBondContact O-N 2.79Å; M65-I68 WeakPolarHBondContact O-CB 3.37Å; M65-I68 PolarHBondContact O-N 2.83Å; M65-D69 PolarHBondContact O-N 2.82Å; M65-Y88 HydrophobicContact CG-CD1 4.15Å; M65-Y88 HydrophobicContact CG-CG 4.4Å; M65-L92 HydrophobicContact CE-CD2 4.23Å; M65-L92 HydrophobicContact SD-CB 4.23Å; M65-L92 HydrophobicContact SD-CD2 3.93Å
66K97Very high96.2Very high34 Ų3428.7 Ų28.715%0.14814%0.141CC..Hα-helixtrans-66.9-31.8176.5-166.757.4163.4-167.70112.7V20 E21 A62 N63 I64 D69 Y70 F376V20-K66 HydrophobicContact CG1-CB 4.27Å; V20-K66 HydrophobicContact CG1-CD 4.38Å; E21-K66 WeakPolarHBondContact OE2-CE 3.49Å; E21-K66 IonicContact OE2-NZ 2.77Å; E21-K66 PolarHBondContact OE2-NZ 2.92Å; A62-K66 WeakPolarHBondContact O-CB 3.46Å; A62-K66 PolarHBondContact O-N 3.18Å; N63-K66 PolarHBondContact O-N 3.44Å; I64-K66 PolarHBondContact O-N 2.98Å; K66-D69 PolarHBondContact O-N 2.85Å; K66-Y70 HydrophobicContact CG-CE2 4.47Å; K66-Y70 WeakPolarHBondContact O-CD2 3.43Å; K66-Y70 WeakPolarHBondContact O-CE2 3.35Å; K66-F376 HydrophobicContact CB-CD1 4.03Å; K66-F376 HydrophobicContact CB-CD2 4.38Å; K66-F376 HydrophobicContact CB-CE1 4.23Å; K66-F376 HydrophobicContact CB-CG 4.1Å; K66-F376 HydrophobicContact CB-CZ 4.49Å; K66-F376 HydrophobicContact CD-CE1 4.35Å; K66-F376 HydrophobicContact CD-CZ 4.48Å; K66-F376 HydrophobicContact CG-CD1 3.54Å; K66-F376 HydrophobicContact CG-CD2 4.18Å; K66-F376 HydrophobicContact CG-CE1 3.26Å; K66-F376 HydrophobicContact CG-CE2 3.93Å; K66-F376 HydrophobicContact CG-CG 4Å; K66-F376 HydrophobicContact CG-CZ 3.48Å; K66-F376 VanDerWaalsContact CG-CZ 3.48Å
67E97.4Very high96.1Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-72.8-30.5172.8-70.4-178.4-131.500112.9N63 I64 M65 D69 Y70 F154 R157 F376 Y384N63-E67 PolarHBondContact O-N 2.85Å; I64-E67 HydrophobicContact CD1-CB 4.3Å; I64-E67 PolarHBondContact O-N 2.88Å; I64-E67 VanDerWaalsContact O-N 3.14Å; M65-E67 VanDerWaalsContact C-N 3.3Å; M65-E67 PolarHBondContact O-N 2.79Å; E67-D69 PolarHBondContact O-N 2.93Å; E67-Y70 PolarHBondContact O-N 2.89Å; E67-Y70 VanDerWaalsContact O-N 3.14Å; E67-F154 HydrophobicContact CB-CD2 4.2Å; E67-F154 HydrophobicContact CB-CE2 4.32Å; E67-R157 IonicContact OE1-CZ 3.53Å; E67-R157 IonicContact OE1-NE 3.36Å; E67-R157 PolarHBondContact OE1-NE 3.46Å; E67-R157 IonicContact OE1-NH2 3.55Å; E67-R157 PolarHBondContact OE1-NH2 2.84Å; E67-R157 WeakPolarHBondContact OE2-CD 3.36Å; E67-R157 IonicContact OE2-CZ 2.8Å; E67-R157 IonicContact OE2-NE 2.78Å; E67-R157 PolarHBondContact OE2-NE 2.82Å; E67-R157 IonicContact OE2-NH2 3.48Å; E67-F376 HydrophobicContact CG-CB 4.43Å; E67-F376 HydrophobicContact CG-CD2 3.57Å; E67-F376 HydrophobicContact CG-CE2 4.33Å; E67-F376 HydrophobicContact CG-CG 4.4Å; E67-Y384 HydrophobicContact CB-CE2 4.26Å; E67-Y384 HydrophobicContact CG-CE2 4.06Å; E67-Y384 PolarHBondContact OE2-OH 3.23Å
68I95.4Very high95.9Very high4 Ų430.2 Ų30.22%0.02116%0.158CC..Hα-helixtrans-57.4-42172.5-69170.1000109.9I64 M65 Y70 L71 L76 L84 F154 F158I64-I68 PolarHBondContact O-N 3.47Å; M65-I68 WeakPolarHBondContact O-CB 3.37Å; M65-I68 PolarHBondContact O-N 2.83Å; I68-Y70 PolarHBondContact O-N 2.83Å; I68-L71 WeakPolarHBondContact O-CB 3.33Å; I68-L71 PolarHBondContact O-N 3.19Å; I68-L76 HydrophobicContact CG2-CD2 3.58Å; I68-L76 WeakPolarHBondContact O-CD2 3.34Å; I68-L84 HydrophobicContact CD1-CD2 4.03Å; I68-F154 HydrophobicContact CB-CE2 4.48Å; I68-F154 HydrophobicContact CD1-CZ 4.39Å; I68-F154 HydrophobicContact CG1-CE2 3.6Å; I68-F154 HydrophobicContact CG1-CZ 3.54Å; I68-F158 HydrophobicContact CD1-CE2 4.36Å
69D92.8Very high95.8Very high91 Ų9134.7 Ų34.749%0.48719%0.187SC..THydrogen-bonded Turntrans-58.6-17.1179.7-62.8-22.5000114.1M65 K66 E67M65-D69 PolarHBondContact O-N 2.82Å; K66-D69 PolarHBondContact O-N 2.85Å; E67-D69 PolarHBondContact O-N 2.93Å
70Y93.5Very high95.7Very high87 Ų8734.9 Ų34.934%0.34119%0.189SC..THydrogen-bonded Turntrans-101.53.8179-67-76.4000114.1K66 E67 I68 F376 L381K66-Y70 HydrophobicContact CG-CE2 4.47Å; K66-Y70 WeakPolarHBondContact O-CD2 3.43Å; K66-Y70 WeakPolarHBondContact O-CE2 3.35Å; E67-Y70 PolarHBondContact O-N 2.89Å; E67-Y70 VanDerWaalsContact O-N 3.14Å; I68-Y70 PolarHBondContact O-N 2.83Å; Y70-F376 HydrophobicContact CD2-CE2 4.02Å; Y70-F376 HydrophobicContact CD2-CZ 4.4Å; Y70-F376 AromaticContact CE2-CE2 3.67Å; Y70-F376 HydrophobicContact CE2-CE2 3.67Å; Y70-F376 AromaticContact CE2-CZ 3.59Å; Y70-F376 HydrophobicContact CE2-CZ 3.59Å; Y70-L381 HydrophobicContact CD1-CD1 3.65Å; Y70-L381 HydrophobicContact CD2-CD1 4.15Å; Y70-L381 HydrophobicContact CE1-CD1 3.26Å; Y70-L381 HydrophobicContact CE2-CD1 3.81Å; Y70-L381 HydrophobicContact CG-CD1 4.07Å
71L93.3Very high95.5Very high6 Ų634.8 Ų34.83%0.03119%0.189CC..SBendtrans-69.3157169.4-70.4178.6000111I68 D73 L75 L76 F154I68-L71 WeakPolarHBondContact O-CB 3.33Å; I68-L71 PolarHBondContact O-N 3.19Å; L71-D73 PolarHBondContact O-N 3.11Å; L71-L75 HydrophobicContact CB-CD2 4.37Å; L71-L75 HydrophobicContact CD1-CD2 4.04Å; L71-L75 HydrophobicContact CD2-CD2 4.22Å; L71-L75 HydrophobicContact CG-CD2 4.46Å; L71-L76 HydrophobicContact CB-CD1 4.49Å; L71-L76 HydrophobicContact CB-CD2 4.11Å; L71-L76 HydrophobicContact CB-CG 4.02Å; L71-L76 WeakPolarHBondContact O-CD1 3.21Å; L71-F154 HydrophobicContact CD1-CD1 3.86Å; L71-F154 HydrophobicContact CD1-CD2 4.35Å; L71-F154 HydrophobicContact CD1-CE1 3.7Å; L71-F154 HydrophobicContact CD1-CE2 4.19Å; L71-F154 HydrophobicContact CD1-CG 4.2Å; L71-F154 HydrophobicContact CD1-CZ 3.88Å; L71-F154 HydrophobicContact CD2-CB 3.79Å; L71-F154 HydrophobicContact CD2-CD1 3.84Å; L71-F154 HydrophobicContact CD2-CD2 4.13Å; L71-F154 HydrophobicContact CD2-CG 3.63Å; L71-F154 HydrophobicContact CG-CD1 4.33Å; L71-F154 HydrophobicContact CG-CD2 4.3Å; L71-F154 HydrophobicContact CG-CG 4.21Å
72P92.1Very high95.5Very high36 Ų3640.4 Ų40.423%0.23421%0.213CC..  trans-55.6135.6176.2-23.131.5000112.1K74 L75 L76 T147P72-K74 PolarHBondContact O-N 2.78Å; P72-L75 HydrophobicContact CB-CB 4.4Å; P72-L75 WeakPolarHBondContact O-CA 3.45Å; P72-L75 WeakPolarHBondContact O-CB 3.34Å; P72-L75 PolarHBondContact O-N 3.48Å; P72-L76 PolarHBondContact O-N 3.12Å; P72-T147 HydrophobicContact CG-CG2 3.82Å
73D92.4Very high95.4Very high141 Ų14144.1 Ų44.175%0.75423%0.233SC*.Hα-helixtrans-52.5-35.7-179.8-68.7-28.8000112.9L71 L76 G77L71-D73 PolarHBondContact O-N 3.11Å; D73-L76 PolarHBondContact O-N 2.8Å; D73-G77 PolarHBondContact O-N 2.67Å
74K93.4Very high95.2Very high120 Ų12044 Ų4452%0.52223%0.232SC..Hα-helixtrans-62.8-40175.8-71.8175.9176.1-178.70112.4P72 G77 F137 F141P72-K74 PolarHBondContact O-N 2.78Å; K74-G77 PolarHBondContact O-N 3.36Å; K74-F137 HydrophobicContact CB-CD2 3.94Å; K74-F137 HydrophobicContact CB-CE2 3.64Å; K74-F137 HydrophobicContact CD-CE2 4.46Å; K74-F141 HydrophobicContact CB-CD2 3.94Å; K74-F141 HydrophobicContact CB-CE2 3.85Å; K74-F141 HydrophobicContact CB-CG 4.36Å; K74-F141 HydrophobicContact CB-CZ 4.2Å; K74-F141 HydrophobicContact CD-CB 4.26Å; K74-F141 HydrophobicContact CD-CD1 3.68Å; K74-F141 HydrophobicContact CD-CD2 4.21Å; K74-F141 HydrophobicContact CD-CE1 4.01Å; K74-F141 HydrophobicContact CD-CG 3.78Å; K74-F141 HydrophobicContact CD-CZ 4.41Å; K74-F141 HydrophobicContact CG-CD1 4.32Å; K74-F141 HydrophobicContact CG-CD2 4.42Å; K74-F141 HydrophobicContact CG-CE1 4.18Å; K74-F141 HydrophobicContact CG-CE2 4.3Å; K74-F141 HydrophobicContact CG-CG 4.42Å; K74-F141 HydrophobicContact CG-CZ 4.17Å
75L93.9Very high95.1Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-72.2-43.9175.4176.659.3000110.7L71 P72 G77 T78 V81 M130 G133 F137 V151L71-L75 HydrophobicContact CB-CD2 4.37Å; L71-L75 HydrophobicContact CD1-CD2 4.04Å; L71-L75 HydrophobicContact CD2-CD2 4.22Å; L71-L75 HydrophobicContact CG-CD2 4.46Å; P72-L75 HydrophobicContact CB-CB 4.4Å; P72-L75 WeakPolarHBondContact O-CA 3.45Å; P72-L75 WeakPolarHBondContact O-CB 3.34Å; P72-L75 PolarHBondContact O-N 3.48Å; L75-G77 PolarHBondContact O-N 2.77Å; L75-T78 HydrophobicContact CD1-CG2 4.45Å; L75-T78 WeakPolarHBondContact O-CB 3.25Å; L75-T78 WeakPolarHBondContact O-CG2 3.31Å; L75-T78 PolarHBondContact O-N 3.49Å; L75-T78 VanDerWaalsContact O-N 3.11Å; L75-T78 PolarHBondContact O-OG1 3.15Å; L75-V81 HydrophobicContact CD1-CG2 3.87Å; L75-V81 HydrophobicContact CG-CG2 4.26Å; L75-M130 HydrophobicContact CD2-CE 4.47Å; L75-G133 WeakPolarHBondContact CD1-O 3.48Å; L75-F137 HydrophobicContact CB-CB 4.39Å; L75-F137 HydrophobicContact CB-CD2 3.9Å; L75-F137 HydrophobicContact CB-CE2 4.39Å; L75-F137 HydrophobicContact CB-CG 4Å; L75-F137 HydrophobicContact CD1-CB 3.61Å; L75-F137 HydrophobicContact CD1-CD1 4.47Å; L75-F137 HydrophobicContact CD1-CG 4.01Å; L75-V151 HydrophobicContact CD2-CG1 4.5Å; L75-V151 HydrophobicContact CD2-CG2 3.82Å
76L94.9Very high95.1Very high39 Ų3948.3 Ų48.320%0.20426%0.261CS..Hα-helixtrans-60.3-28.3172.9-70.4176.8000112.9I68 L71 P72 D73 T78 V81 K82I68-L76 HydrophobicContact CG2-CD2 3.58Å; I68-L76 WeakPolarHBondContact O-CD2 3.34Å; L71-L76 HydrophobicContact CB-CD1 4.49Å; L71-L76 HydrophobicContact CB-CD2 4.11Å; L71-L76 HydrophobicContact CB-CG 4.02Å; L71-L76 WeakPolarHBondContact O-CD1 3.21Å; P72-L76 PolarHBondContact O-N 3.12Å; D73-L76 PolarHBondContact O-N 2.8Å; L76-T78 VanDerWaalsContact C-N 3.28Å; L76-T78 PolarHBondContact O-N 3.29Å; L76-V81 HydrophobicContact CD2-CG1 4.02Å; L76-K82 WeakPolarHBondContact O-CG 3.48Å
77G95.1Very high95.2Very high34 Ų3448.7 Ų48.735%0.35126%0.262SS..THydrogen-bonded Turntrans-70.3-20177.200000114.4D73 K74 L75 K82D73-G77 PolarHBondContact O-N 2.67Å; K74-G77 PolarHBondContact O-N 3.36Å; L75-G77 PolarHBondContact O-N 2.77Å; G77-K82 VanDerWaalsContact O-CE 3.28Å; G77-K82 WeakPolarHBondContact O-CE 3.19Å; G77-K82 PolarHBondContact O-NZ 3.36Å
78T95.6Very high95.2Very high8 Ų848.8 Ų48.85%0.04926%0.262CS..SBendtrans-66.5140.5-175.765.70000111.8L75 L76 S80 V81 K82 E136 F137L75-T78 HydrophobicContact CD1-CG2 4.45Å; L75-T78 WeakPolarHBondContact O-CB 3.25Å; L75-T78 WeakPolarHBondContact O-CG2 3.31Å; L75-T78 PolarHBondContact O-N 3.49Å; L75-T78 VanDerWaalsContact O-N 3.11Å; L75-T78 PolarHBondContact O-OG1 3.15Å; L76-T78 VanDerWaalsContact C-N 3.28Å; L76-T78 PolarHBondContact O-N 3.29Å; T78-S80 PolarHBondContact O-N 3.37Å; T78-V81 PolarHBondContact O-N 3.47Å; T78-V81 VanDerWaalsContact OG1-CB 3.32Å; T78-V81 WeakPolarHBondContact OG1-CB 3.44Å; T78-V81 WeakPolarHBondContact OG1-CG2 3.48Å; T78-V81 PolarHBondContact OG1-N 2.92Å; T78-K82 WeakPolarHBondContact O-CG 3.49Å; T78-K82 PolarHBondContact O-N 3.27Å; T78-K82 VanDerWaalsContact O-N 3.07Å; T78-E136 VanDerWaalsContact CB-OE2 3.28Å; T78-E136 WeakPolarHBondContact CB-OE2 3.19Å; T78-E136 HydrophobicContact CG2-CB 3.97Å; T78-F137 HydrophobicContact CG2-CB 4.11Å
79P96.4Very high95.3Very high95 Ų9549.4 Ų49.462%0.61727%0.267SS*.Hα-helixtrans-54-41179.8-27.134.2000113.3K82 L83 E136P79-K82 PolarHBondContact O-N 3.32Å; P79-L83 PolarHBondContact O-N 3.49Å; P79-E136 WeakPolarHBondContact CD-OE2 2.96Å
80S95.3Very high95.5Very high15 Ų1549.5 Ų49.511%0.10526%0.264CS..Hα-helixtrans-67.7-41.6-177.7-70.80000112.8T78 L83 L84 T129 Q132 E136T78-S80 PolarHBondContact O-N 3.37Å; S80-L83 PolarHBondContact O-N 3.07Å; S80-L84 PolarHBondContact O-N 3.19Å; S80-T129 WeakPolarHBondContact CB-O 3.46Å; S80-T129 WeakPolarHBondContact O-CG2 3.3Å; S80-Q132 WeakPolarHBondContact OG-CG 3.4Å; S80-E136 WeakPolarHBondContact CB-OE2 3.31Å; S80-E136 PolarHBondContact N-OE2 3.47Å; S80-E136 PolarHBondContact OG-OE1 2.93Å; S80-E136 PolarHBondContact OG-OE2 3.32Å
81V96Very high95.7Very high2 Ų245.3 Ų45.31%0.01225%0.248CC..Hα-helixtrans-69.8-38.1177176.70000111.2L75 L76 T78 L83 L84 T85 M130L75-V81 HydrophobicContact CD1-CG2 3.87Å; L75-V81 HydrophobicContact CG-CG2 4.26Å; L76-V81 HydrophobicContact CD2-CG1 4.02Å; T78-V81 PolarHBondContact O-N 3.47Å; T78-V81 VanDerWaalsContact OG1-CB 3.32Å; T78-V81 WeakPolarHBondContact OG1-CB 3.44Å; T78-V81 WeakPolarHBondContact OG1-CG2 3.48Å; T78-V81 PolarHBondContact OG1-N 2.92Å; V81-L83 VanDerWaalsContact C-N 3.35Å; V81-L83 PolarHBondContact O-N 3.03Å; V81-L84 WeakPolarHBondContact O-CB 3.26Å; V81-L84 PolarHBondContact O-N 3.18Å; V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 2.78Å; V81-T85 VanDerWaalsContact O-OG1 3.11Å; V81-M130 HydrophobicContact CG2-CE 4.1Å; V81-M130 HydrophobicContact CG2-SD 4.15Å
82K97.1Very high96Very high122 Ų12245 Ų4553%0.5325%0.247SC..Hα-helixtrans-59.7-44.1173.6-73.9174173.4158.60112.4L76 G77 T78 P79 L84 T85 S86L76-K82 WeakPolarHBondContact O-CG 3.48Å; G77-K82 VanDerWaalsContact O-CE 3.28Å; G77-K82 WeakPolarHBondContact O-CE 3.19Å; G77-K82 PolarHBondContact O-NZ 3.36Å; T78-K82 WeakPolarHBondContact O-CG 3.49Å; T78-K82 PolarHBondContact O-N 3.27Å; T78-K82 VanDerWaalsContact O-N 3.07Å; P79-K82 PolarHBondContact O-N 3.32Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-T85 PolarHBondContact O-N 2.89Å; K82-S86 PolarHBondContact O-N 3.07Å
83L96.5Very high96.2Very high77 Ų7744.5 Ų44.540%0.40324%0.241SC..Hα-helixtrans-60.1-45.8175.9178.460.6000110.9P79 S80 V81 S86 W87 T129P79-L83 PolarHBondContact O-N 3.49Å; S80-L83 PolarHBondContact O-N 3.07Å; V81-L83 VanDerWaalsContact C-N 3.35Å; V81-L83 PolarHBondContact O-N 3.03Å; L83-S86 WeakPolarHBondContact O-CB 3.38Å; L83-S86 PolarHBondContact O-N 3.12Å; L83-S86 VanDerWaalsContact O-N 3.16Å; L83-S86 PolarHBondContact O-OG 3.02Å; L83-W87 HydrophobicContact CD1-CZ2 3.89Å; L83-W87 HydrophobicContact CD2-CH2 3.87Å; L83-W87 HydrophobicContact CD2-CZ2 3.54Å; L83-W87 HydrophobicContact CG-CD2 4.37Å; L83-W87 HydrophobicContact CG-CH2 4.02Å; L83-W87 HydrophobicContact CG-CZ2 3.53Å; L83-W87 PolarHBondContact O-N 3.29Å; L83-W87 VanDerWaalsContact O-N 3.12Å; L83-T129 HydrophobicContact CD2-CG2 4.39Å
84L95.8Very high96.5Very high1 Ų140.1 Ų40.11%0.00522%0.216CC..Hα-helixtrans-60.3-47.1177.6-173153.2000111.9I68 S80 V81 K82 S86 W87 Y88 V126 M130 F158I68-L84 HydrophobicContact CD1-CD2 4.03Å; S80-L84 PolarHBondContact O-N 3.19Å; V81-L84 WeakPolarHBondContact O-CB 3.26Å; V81-L84 PolarHBondContact O-N 3.18Å; K82-L84 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 2.68Å; L84-W87 PolarHBondContact O-N 3.28Å; L84-W87 VanDerWaalsContact O-N 3.11Å; L84-Y88 HydrophobicContact CD2-CD2 3.73Å; L84-Y88 HydrophobicContact CD2-CE2 3.75Å; L84-Y88 HydrophobicContact CG-CD2 4.25Å; L84-Y88 HydrophobicContact CG-CE2 4.14Å; L84-Y88 WeakPolarHBondContact O-CD2 3.43Å; L84-Y88 PolarHBondContact O-N 3.23Å; L84-Y88 VanDerWaalsContact O-N 3.13Å; L84-V126 HydrophobicContact CD1-CG1 4.03Å; L84-M130 HydrophobicContact CD1-CB 3.69Å; L84-M130 HydrophobicContact CD1-CG 4.29Å; L84-M130 HydrophobicContact CD1-SD 3.88Å; L84-F158 HydrophobicContact CD1-CE1 4.18Å; L84-F158 HydrophobicContact CD1-CZ 3.74Å; L84-F158 HydrophobicContact CD2-CE2 3.91Å; L84-F158 HydrophobicContact CD2-CZ 3.78Å; L84-F158 HydrophobicContact CG-CZ 4.19Å
85T96.3Very high96.7Very high44 Ų4434.5 Ų34.527%0.2719%0.192SC..Hα-helixtrans-59.5-36176-58.40000111.7V81 K82 S89V81-T85 PolarHBondContact O-N 2.88Å; V81-T85 PolarHBondContact O-OG1 2.78Å; V81-T85 VanDerWaalsContact O-OG1 3.11Å; K82-T85 PolarHBondContact O-N 2.89Å; T85-S89 WeakPolarHBondContact O-CB 3.5Å; T85-S89 PolarHBondContact O-N 3.11Å; T85-S89 PolarHBondContact O-OG 3.35Å
86S97.1Very high96.8Very high58 Ų5835.4 Ų35.441%0.40620%0.198SC..Hα-helixtrans-64.7-39.7175.7840000112.7K82 L83 L84 S89 Q90K82-S86 PolarHBondContact O-N 3.07Å; L83-S86 WeakPolarHBondContact O-CB 3.38Å; L83-S86 PolarHBondContact O-N 3.12Å; L83-S86 VanDerWaalsContact O-N 3.16Å; L83-S86 PolarHBondContact O-OG 3.02Å; L84-S86 PolarHBondContact O-N 2.68Å; S86-S89 PolarHBondContact O-N 3.14Å; S86-Q90 WeakPolarHBondContact O-CB 3.37Å; S86-Q90 PolarHBondContact O-N 3.04Å
87W98.1Very high96.8Very high43 Ų4338.4 Ų38.416%0.16321%0.214CC..Hα-helixtrans-65.2-46.4177-65.2-23000112.2L83 L84 S89 Q90 S91 R122 N125 V126 T129L83-W87 HydrophobicContact CD1-CZ2 3.89Å; L83-W87 HydrophobicContact CD2-CH2 3.87Å; L83-W87 HydrophobicContact CD2-CZ2 3.54Å; L83-W87 HydrophobicContact CG-CD2 4.37Å; L83-W87 HydrophobicContact CG-CH2 4.02Å; L83-W87 HydrophobicContact CG-CZ2 3.53Å; L83-W87 PolarHBondContact O-N 3.29Å; L83-W87 VanDerWaalsContact O-N 3.12Å; L84-W87 PolarHBondContact O-N 3.28Å; L84-W87 VanDerWaalsContact O-N 3.11Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 3.1Å; W87-Q90 PolarHBondContact O-N 3.19Å; W87-S91 WeakPolarHBondContact O-CB 3.43Å; W87-S91 PolarHBondContact O-N 3.37Å; W87-S91 PolarHBondContact O-OG 2.93Å; W87-R122 HydrophobicContact CB-CG 4.05Å; W87-R122 HydrophobicContact CG-CG 3.9Å; W87-N125 HydrophobicContact CH2-CB 4.38Å; W87-V126 HydrophobicContact CE3-CG2 3.95Å; W87-V126 HydrophobicContact CZ3-CG2 4.19Å; W87-T129 HydrophobicContact CH2-CG2 4.12Å; W87-T129 WeakPolarHBondContact CH2-OG1 3.32Å; W87-T129 HydrophobicContact CZ3-CG2 4.04Å
88Y98.1Very high97Very high1 Ų137.8 Ų37.80%0.00420%0.202CC..Hα-helixtrans-63.4-40.9177.6-85.9-101.1000111.8L61 I64 M65 L84 S91 L92 V126 F158L61-Y88 HydrophobicContact CD2-CD1 3.66Å; L61-Y88 HydrophobicContact CD2-CE1 3.66Å; I64-Y88 HydrophobicContact CG2-CD1 4.35Å; I64-Y88 HydrophobicContact CG2-CE1 3.96Å; M65-Y88 HydrophobicContact CG-CD1 4.15Å; M65-Y88 HydrophobicContact CG-CG 4.4Å; L84-Y88 HydrophobicContact CD2-CD2 3.73Å; L84-Y88 HydrophobicContact CD2-CE2 3.75Å; L84-Y88 HydrophobicContact CG-CD2 4.25Å; L84-Y88 HydrophobicContact CG-CE2 4.14Å; L84-Y88 WeakPolarHBondContact O-CD2 3.43Å; L84-Y88 PolarHBondContact O-N 3.23Å; L84-Y88 VanDerWaalsContact O-N 3.13Å; Y88-S91 PolarHBondContact O-N 2.99Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 3.35Å; Y88-V126 HydrophobicContact CE2-CG1 4.32Å; Y88-V126 HydrophobicContact CE2-CG2 4.22Å; Y88-F158 HydrophobicContact CE1-CE2 4.29Å; Y88-F158 AromaticContact CE2-CE2 3.78Å; Y88-F158 HydrophobicContact CE2-CE2 3.78Å; Y88-F158 AromaticContact CE2-CZ 3.78Å; Y88-F158 HydrophobicContact CE2-CZ 3.78Å; Y88-F158 AromaticContact CZ-CE2 3.54Å; Y88-F158 AromaticContact CZ-CZ 3.79Å; Y88-F158 VanDerWaalsContact OH-CE2 3.27Å; Y88-F158 WeakPolarHBondContact OH-CE2 3.44Å; Y88-F158 VanDerWaalsContact OH-CZ 3.3Å; Y88-F158 WeakPolarHBondContact OH-CZ 3.45Å
89S97.5Very high96.9Very high17 Ų1738.5 Ų38.512%0.11921%0.205CC..Hα-helixtrans-61-46.3175.2-610000112T85 S86 W87 L92 M93T85-S89 WeakPolarHBondContact O-CB 3.5Å; T85-S89 PolarHBondContact O-N 3.11Å; T85-S89 PolarHBondContact O-OG 3.35Å; S86-S89 PolarHBondContact O-N 3.14Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 3.1Å; S89-L92 PolarHBondContact O-N 3.34Å; S89-M93 WeakPolarHBondContact O-CG 3.36Å; S89-M93 PolarHBondContact O-N 3.46Å; S89-M93 VanDerWaalsContact O-N 3.09Å
90Q97.6Very high96.8Very high93 Ų9341.9 Ų41.944%0.43521%0.213SC..Hα-helixtrans-62.4-46.9177.1-179.2174.2-7.700111.5S86 W87 L92 M93 E94 R122S86-Q90 WeakPolarHBondContact O-CB 3.37Å; S86-Q90 PolarHBondContact O-N 3.04Å; W87-Q90 PolarHBondContact O-N 3.19Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.35Å; Q90-M93 PolarHBondContact O-N 2.9Å; Q90-E94 HydrophobicContact CG-CG 4.42Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.35Å; Q90-E94 PolarHBondContact NE2-OE1 2.8Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 2.74Å; Q90-R122 VanDerWaalsContact NE2-NH2 3.16Å
91S98.3Very high96.9Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-61.8-40.1179.2-60.80000112.3W87 Y88 L95 R122 H123W87-S91 WeakPolarHBondContact O-CB 3.43Å; W87-S91 PolarHBondContact O-N 3.37Å; W87-S91 PolarHBondContact O-OG 2.93Å; Y88-S91 PolarHBondContact O-N 2.99Å; S91-L95 WeakPolarHBondContact O-CD1 3.35Å; S91-L95 VanDerWaalsContact O-CG 3.3Å; S91-L95 WeakPolarHBondContact O-CG 3.47Å; S91-L95 PolarHBondContact O-N 2.9Å; S91-L95 VanDerWaalsContact O-N 3.15Å; S91-R122 PolarHBondContact OG-NH1 2.97Å; S91-H123 PolarHBondContact OG-CE1 2.77Å; S91-H123 PolarHBondContact OG-NE2 2.93Å
92L98.2Very high96.9Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-61.8-48.7175.417762.8000111.1Q19 V20 P58 M65 Y88 S89 Q90 E94 L95 V96Q19-L92 HydrophobicContact CB-CD2 4.23Å; V20-L92 HydrophobicContact CG2-CD2 3.63Å; P58-L92 HydrophobicContact CB-CD1 3.82Å; M65-L92 HydrophobicContact CE-CD2 4.23Å; M65-L92 HydrophobicContact SD-CB 4.23Å; M65-L92 HydrophobicContact SD-CD2 3.93Å; Y88-L92 WeakPolarHBondContact O-CB 3.47Å; Y88-L92 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 3.34Å; Q90-L92 VanDerWaalsContact C-N 3.34Å; Q90-L92 PolarHBondContact O-N 3.35Å; L92-E94 PolarHBondContact O-N 3.13Å; L92-L95 PolarHBondContact O-N 2.84Å; L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CG-CG2 4.34Å; L92-V96 VanDerWaalsContact O-CG2 3.26Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.04Å
93M97.2Very high96.8Very high25 Ų2545.8 Ų45.812%0.12323%0.234CC..Hα-helixtrans-65.2-41-178.1-66.9-52.9-60.800112.2I16 Q19 S89 Q90 L95 V96 D97I16-M93 HydrophobicContact CD1-CG 4.39Å; I16-M93 HydrophobicContact CG1-CG 3.66Å; I16-M93 HydrophobicContact CG1-SD 3.79Å; Q19-M93 HydrophobicContact CG-SD 4.17Å; S89-M93 WeakPolarHBondContact O-CG 3.36Å; S89-M93 PolarHBondContact O-N 3.46Å; S89-M93 VanDerWaalsContact O-N 3.09Å; Q90-M93 PolarHBondContact O-N 2.9Å; M93-L95 VanDerWaalsContact C-N 3.27Å; M93-L95 PolarHBondContact O-N 2.82Å; M93-V96 PolarHBondContact O-N 3.15Å; M93-D97 PolarHBondContact O-N 3.35Å
94E97.5Very high96.7Very high48 Ų4847.1 Ų47.122%0.22424%0.242CC..Hα-helixtrans-60.2-35.9174.8-74171.8179.900112.3Q90 L92 F98 T115 R122Q90-E94 HydrophobicContact CG-CG 4.42Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.35Å; Q90-E94 PolarHBondContact NE2-OE1 2.8Å; Q90-E94 WeakPolarHBondContact O-CG 3.35Å; Q90-E94 PolarHBondContact O-N 2.74Å; L92-E94 PolarHBondContact O-N 3.13Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 WeakPolarHBondContact O-CE2 3.36Å; E94-T115 HydrophobicContact CB-CG2 3.99Å; E94-R122 IonicContact OE1-CZ 3.52Å; E94-R122 IonicContact OE1-NH1 3.67Å; E94-R122 IonicContact OE1-NH2 3.67Å; E94-R122 PolarHBondContact OE1-NH2 3.42Å; E94-R122 IonicContact OE2-CZ 3.95Å; E94-R122 IonicContact OE2-NH1 2.9Å; E94-R122 PolarHBondContact OE2-NH1 2.84Å; E94-R122 IonicContact OE2-NH2 3.72Å; E94-R122 PolarHBondContact OE2-NH2 2.82Å
95L98Very high96.8Very high2 Ų250.4 Ų50.41%0.0126%0.26CS..Hα-helixtrans-75-36.9175.7-70.2165.2000112.7L57 P58 L61 S91 L92 M93 D97 F98 F112 L116 I119L57-L95 HydrophobicContact CB-CD1 3.69Å; L57-L95 HydrophobicContact CB-CD2 4.38Å; L57-L95 HydrophobicContact CD1-CD1 4.47Å; L57-L95 HydrophobicContact CD1-CD2 4.04Å; P58-L95 HydrophobicContact CG-CB 3.88Å; L61-L95 HydrophobicContact CD1-CD1 3.59Å; S91-L95 WeakPolarHBondContact O-CD1 3.35Å; S91-L95 VanDerWaalsContact O-CG 3.3Å; S91-L95 WeakPolarHBondContact O-CG 3.47Å; S91-L95 PolarHBondContact O-N 2.9Å; S91-L95 VanDerWaalsContact O-N 3.15Å; L92-L95 PolarHBondContact O-N 2.84Å; M93-L95 VanDerWaalsContact C-N 3.27Å; M93-L95 PolarHBondContact O-N 2.82Å; L95-D97 PolarHBondContact O-N 2.85Å; L95-F98 PolarHBondContact O-N 2.99Å; L95-F98 VanDerWaalsContact O-N 3.07Å; L95-F112 HydrophobicContact CD2-CE2 4Å; L95-L116 HydrophobicContact CD2-CD2 3.79Å; L95-I119 HydrophobicContact CD1-CD1 4.03Å; L95-I119 HydrophobicContact CD2-CD1 3.9Å; L95-I119 HydrophobicContact CG-CD1 3.68Å
96V96.2Very high96.7Very high20 Ų2056.6 Ų56.612%0.12128%0.283CS..Hα-helixtrans-60.6-31.9178.5164.60000111.5Q19 F23 L92 M93 F98 L99Q19-V96 HydrophobicContact CB-CG2 4.48Å; Q19-V96 HydrophobicContact CG-CG1 4.37Å; Q19-V96 HydrophobicContact CG-CG2 4.3Å; F23-V96 HydrophobicContact CE2-CG2 3.92Å; L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CG-CG2 4.34Å; L92-V96 VanDerWaalsContact O-CG2 3.26Å; L92-V96 WeakPolarHBondContact O-CG2 3.49Å; L92-V96 PolarHBondContact O-N 3.04Å; M93-V96 PolarHBondContact O-N 3.15Å; V96-F98 PolarHBondContact O-N 3.19Å; V96-F98 VanDerWaalsContact O-N 3.1Å; V96-L99 HydrophobicContact CB-CD1 4.25Å; V96-L99 HydrophobicContact CG1-CD1 3.91Å; V96-L99 HydrophobicContact CG2-CD1 4.3Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 VanDerWaalsContact O-CG 3.31Å; V96-L99 WeakPolarHBondContact O-CG 3.47Å; V96-L99 PolarHBondContact O-N 3.32Å
97D96.1Very high96.7Very high102 Ų10259.1 Ų59.155%0.54529%0.292SS..THydrogen-bonded Turntrans-62.4-16.4176.8-70.6-17.9000113.6M93 L95 K101M93-D97 PolarHBondContact O-N 3.35Å; L95-D97 PolarHBondContact O-N 2.85Å; D97-K101 VanDerWaalsContact O-CE 3.26Å; D97-K101 WeakPolarHBondContact O-CE 3.29Å; D97-K101 WeakPolarHBondContact O-CG 3.42Å
98F97.8Very high96.6Very high21 Ų2157.8 Ų57.89%0.09229%0.288CS..THydrogen-bonded Turntrans-94.1-8.8178.9-70.1-84.4000115F50 R54 E94 L95 V96 E100 K101 V108 N111 F112 T115F50-F98 HydrophobicContact CE2-CB 4.02Å; F50-F98 AromaticContact CE2-CD1 3.9Å; F50-F98 HydrophobicContact CE2-CD1 3.9Å; F50-F98 HydrophobicContact CE2-CG 4.28Å; F50-F98 HydrophobicContact CZ-CB 4.3Å; F50-F98 HydrophobicContact CZ-CD1 4.35Å; R54-F98 HydrophobicContact CB-CB 4.35Å; R54-F98 PolarHBondContact NH1-O 3.39Å; E94-F98 WeakPolarHBondContact O-CD2 3.3Å; E94-F98 WeakPolarHBondContact O-CE2 3.36Å; L95-F98 PolarHBondContact O-N 2.99Å; L95-F98 VanDerWaalsContact O-N 3.07Å; V96-F98 PolarHBondContact O-N 3.19Å; V96-F98 VanDerWaalsContact O-N 3.1Å; F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 2.93Å; F98-K101 HydrophobicContact CD1-CG 4.29Å; F98-K101 PolarHBondContact O-N 2.85Å; F98-V108 HydrophobicContact CD1-CG1 4.1Å; F98-V108 HydrophobicContact CE1-CG1 4.39Å; F98-N111 HydrophobicContact CE1-CB 4.32Å; F98-N111 HydrophobicContact CZ-CB 4.35Å; F98-F112 HydrophobicContact CB-CD2 4.18Å; F98-F112 HydrophobicContact CD1-CB 4.03Å; F98-F112 AromaticContact CD1-CD2 3.9Å; F98-F112 HydrophobicContact CD1-CD2 3.9Å; F98-F112 HydrophobicContact CD1-CG 4.45Å; F98-F112 AromaticContact CD2-CD2 3.88Å; F98-F112 HydrophobicContact CD2-CD2 3.88Å; F98-F112 HydrophobicContact CE1-CB 3.75Å; F98-F112 HydrophobicContact CE1-CD2 4.23Å; F98-F112 HydrophobicContact CE2-CD2 4.22Å; F98-F112 AromaticContact CG-CD2 3.71Å; F98-F112 HydrophobicContact CG-CD2 3.71Å; F98-F112 HydrophobicContact CG-CE2 4.42Å; F98-F112 HydrophobicContact CZ-CB 4.18Å; F98-F112 HydrophobicContact CZ-CD2 4.38Å; F98-T115 HydrophobicContact CE2-CG2 4.02Å
99L94.9Very high96.5Very high22 Ų2258.4 Ų58.412%0.11529%0.292CS..THydrogen-bonded Turntrans-57.3-44.8-172.1-71169.5000113.2F23 R54 V96F23-L99 HydrophobicContact CE1-CD2 4.43Å; F23-L99 HydrophobicContact CE2-CD1 4.09Å; F23-L99 HydrophobicContact CZ-CD1 3.61Å; F23-L99 HydrophobicContact CZ-CD2 3.93Å; F23-L99 HydrophobicContact CZ-CG 4.4Å; R54-L99 PolarHBondContact NH1-O 2.81Å; R54-L99 VanDerWaalsContact O-CD2 3.25Å; R54-L99 WeakPolarHBondContact O-CD2 2.99Å; V96-L99 HydrophobicContact CB-CD1 4.25Å; V96-L99 HydrophobicContact CG1-CD1 3.91Å; V96-L99 HydrophobicContact CG2-CD1 4.3Å; V96-L99 WeakPolarHBondContact O-CB 3.31Å; V96-L99 VanDerWaalsContact O-CG 3.31Å; V96-L99 WeakPolarHBondContact O-CG 3.47Å; V96-L99 PolarHBondContact O-N 3.32Å
100E94.3Very high96.5Very high167 Ų16764.7 Ų64.778%0.7832%0.317SS*.THydrogen-bonded Turntrans-101.410.9-175.6-52.5-58.4154.900112.5F98F98-E100 VanDerWaalsContact C-N 3.34Å; F98-E100 PolarHBondContact O-N 2.93Å
101K96.6Very high96.4Very high103 Ų10364.6 Ų64.645%0.44832%0.319SS..SBendtrans-77.4149.4179-62.9-67.9-176178.40111.2F50 R54 D97 F98 P103 V108F50-K101 HydrophobicContact CZ-CB 4.34Å; R54-K101 PolarHBondContact NH1-O 2.71Å; D97-K101 VanDerWaalsContact O-CE 3.26Å; D97-K101 WeakPolarHBondContact O-CE 3.29Å; D97-K101 WeakPolarHBondContact O-CG 3.42Å; F98-K101 HydrophobicContact CD1-CG 4.29Å; F98-K101 PolarHBondContact O-N 2.85Å; K101-P103 WeakPolarHBondContact O-CD 3.43Å; K101-V108 HydrophobicContact CB-CG1 3.59Å; K101-V108 HydrophobicContact CB-CG2 4.17Å; K101-V108 HydrophobicContact CD-CG2 4.44Å; K101-V108 HydrophobicContact CG-CG1 4.29Å
102D96.3Very high96.4Very high91 Ų9164.6 Ų64.649%0.48732%0.319SS..  trans-69.5120.2178.7-171.6-10.8000110.3D104 D105D102-D104 PolarHBondContact O-N 3.23Å; D102-D104 WeakPolarHBondContact OD1-CB 3.34Å; D102-D104 PolarHBondContact OD1-N 3.02Å; D102-D105 HydrophobicContact CB-CB 4.23Å; D102-D105 PolarHBondContact O-N 3.2Å
103P94.8Very high96.4Very high26 Ų2664.9 Ų64.917%0.16932%0.321CS..THydrogen-bonded Turntrans-72.7-9.3177.733.9-39.9000114K47 F50 V51 K101K47-P103 HydrophobicContact CD-CB 4.43Å; K47-P103 HydrophobicContact CG-CB 3.89Å; K47-P103 WeakPolarHBondContact CG-O 3.36Å; F50-P103 HydrophobicContact CD1-CB 3.78Å; F50-P103 HydrophobicContact CE1-CB 3.84Å; V51-P103 HydrophobicContact CG2-CB 3.75Å; V51-P103 HydrophobicContact CG2-CG 4.32Å; K101-P103 WeakPolarHBondContact O-CD 3.43Å
104D95.1Very high96.3Very high106 Ų10668.1 Ų68.157%0.56734%0.336SS*.THydrogen-bonded Turntrans-90-9.8174.2-69.8-61.6000113.4K47 D102 K106K47-D104 WeakPolarHBondContact CE-OD1 3.33Å; K47-D104 IonicContact NZ-OD1 2.64Å; K47-D104 PolarHBondContact NZ-OD1 3.27Å; K47-D104 IonicContact NZ-OD2 2.71Å; K47-D104 PolarHBondContact NZ-OD2 2.86Å; D102-D104 PolarHBondContact O-N 3.23Å; D102-D104 WeakPolarHBondContact OD1-CB 3.34Å; D102-D104 PolarHBondContact OD1-N 3.02Å; D104-K106 PolarHBondContact O-N 3.41Å
105D96.6Very high96.4Very high70 Ų7067 Ų6737%0.37433%0.332SS..  trans-80.9114.2176.9-175.9-15.4000111.3D102 D107 V108 L109D102-D105 HydrophobicContact CB-CB 4.23Å; D102-D105 PolarHBondContact O-N 3.2Å; D105-D107 VanDerWaalsContact C-N 3.3Å; D105-D107 PolarHBondContact O-N 3.23Å; D105-D107 WeakPolarHBondContact OD1-CB 3.34Å; D105-D107 PolarHBondContact OD1-N 3.23Å; D105-V108 HydrophobicContact CB-CB 3.99Å; D105-V108 HydrophobicContact CB-CG2 3.75Å; D105-V108 WeakPolarHBondContact O-CB 3.47Å; D105-V108 PolarHBondContact O-N 3.47Å; D105-V108 VanDerWaalsContact O-N 3.17Å; D105-V108 PolarHBondContact OD1-N 2.97Å; D105-L109 PolarHBondContact O-N 3.3Å; D105-L109 VanDerWaalsContact O-N 3.13Å
106K94.5Very high96.4Very high174 Ų17466.9 Ų66.976%0.75733%0.331SS*.Hα-helixtrans-63.2-33.4-179.6-67.2-174.5178.5-178.60113.3D104 V108 L109 K110D104-K106 PolarHBondContact O-N 3.41Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-L109 PolarHBondContact O-N 3.49Å; K106-K110 WeakPolarHBondContact O-CB 3.27Å; K106-K110 PolarHBondContact O-N 2.78Å
107D96.3Very high96.4Very high110 Ų11066.7 Ų66.759%0.58833%0.33SS*.Hα-helixtrans-70.8-34.2178.1-73.4-33.5000110.4D105 N111D105-D107 VanDerWaalsContact C-N 3.3Å; D105-D107 PolarHBondContact O-N 3.23Å; D105-D107 WeakPolarHBondContact OD1-CB 3.34Å; D105-D107 PolarHBondContact OD1-N 3.23Å; D107-N111 VanDerWaalsContact O-CB 3.23Å; D107-N111 WeakPolarHBondContact O-CB 3.46Å; D107-N111 PolarHBondContact O-N 3Å; D107-N111 PolarHBondContact O-ND2 2.86Å
108V97.3Very high96.4Very high15 Ų1565.2 Ų65.29%0.09132%0.322CS..Hα-helixtrans-61.6-48.2171.5170.10000110.8F50 F98 K101 D105 K106 N111 F112F50-V108 HydrophobicContact CE1-CG1 4.31Å; F50-V108 HydrophobicContact CE2-CG1 4.13Å; F50-V108 HydrophobicContact CZ-CG1 3.71Å; F98-V108 HydrophobicContact CD1-CG1 4.1Å; F98-V108 HydrophobicContact CE1-CG1 4.39Å; K101-V108 HydrophobicContact CB-CG1 3.59Å; K101-V108 HydrophobicContact CB-CG2 4.17Å; K101-V108 HydrophobicContact CD-CG2 4.44Å; K101-V108 HydrophobicContact CG-CG1 4.29Å; D105-V108 HydrophobicContact CB-CB 3.99Å; D105-V108 HydrophobicContact CB-CG2 3.75Å; D105-V108 WeakPolarHBondContact O-CB 3.47Å; D105-V108 PolarHBondContact O-N 3.47Å; D105-V108 VanDerWaalsContact O-N 3.17Å; D105-V108 PolarHBondContact OD1-N 2.97Å; K106-V108 VanDerWaalsContact C-N 3.32Å; V108-N111 PolarHBondContact O-N 3.43Å; V108-F112 WeakPolarHBondContact O-CB 3.15Å; V108-F112 PolarHBondContact O-N 3.42Å
109L96.4Very high96.4Very high15 Ų1564.3 Ų64.38%0.07932%0.318CS..Hα-helixtrans-60.8-47.2179.6-62.7178.7000111.7E46 F50 D105 K106 N111 F112 T113E46-L109 HydrophobicContact CG-CB 4.43Å; E46-L109 HydrophobicContact CG-CD1 4.26Å; F50-L109 HydrophobicContact CB-CD2 3.55Å; F50-L109 HydrophobicContact CD1-CD2 3.74Å; F50-L109 HydrophobicContact CD2-CD2 4.18Å; F50-L109 HydrophobicContact CE1-CD2 4.5Å; F50-L109 HydrophobicContact CG-CD2 3.55Å; D105-L109 PolarHBondContact O-N 3.3Å; D105-L109 VanDerWaalsContact O-N 3.13Å; K106-L109 PolarHBondContact O-N 3.49Å; L109-N111 PolarHBondContact O-N 3.25Å; L109-F112 WeakPolarHBondContact O-CB 3.31Å; L109-F112 PolarHBondContact O-N 2.9Å; L109-T113 PolarHBondContact O-N 3.23Å; L109-T113 PolarHBondContact O-OG1 3.3Å
110K95.5Very high96.5Very high149 Ų14965.9 Ų65.965%0.64832%0.323SS*.Hα-helixtrans-59.9-45.9176.1-175.8179.8178.5-178.60112.3K106 F112 T113 Q114K106-K110 WeakPolarHBondContact O-CB 3.27Å; K106-K110 PolarHBondContact O-N 2.78Å; K110-F112 VanDerWaalsContact C-N 3.29Å; K110-F112 PolarHBondContact O-N 2.97Å; K110-T113 PolarHBondContact O-N 3.1Å; K110-Q114 PolarHBondContact O-N 3.48Å
111N97.1Very high96.5Very high91 Ų9161.7 Ų61.749%0.48731%0.306SS..Hα-helixtrans-65-34.1177.9-73.8-34.7000112F98 D107 V108 L109 T115F98-N111 HydrophobicContact CE1-CB 4.32Å; F98-N111 HydrophobicContact CZ-CB 4.35Å; D107-N111 VanDerWaalsContact O-CB 3.23Å; D107-N111 WeakPolarHBondContact O-CB 3.46Å; D107-N111 PolarHBondContact O-N 3Å; D107-N111 PolarHBondContact O-ND2 2.86Å; V108-N111 PolarHBondContact O-N 3.43Å; L109-N111 PolarHBondContact O-N 3.25Å; N111-T115 WeakPolarHBondContact O-CB 3.4Å; N111-T115 PolarHBondContact O-N 3.19Å; N111-T115 PolarHBondContact O-OG1 3.36Å
112F98Very high96.5Very high0 Ų059 Ų590%029%0.293CS..Hα-helixtrans-64.6-50.4174.2-178-104.5000111.1F50 L53 R54 L95 F98 V108 L109 K110 Q114 T115 L116 H172F50-F112 HydrophobicContact CD2-CB 3.89Å; F50-F112 AromaticContact CD2-CD1 3.59Å; F50-F112 HydrophobicContact CD2-CD1 3.59Å; F50-F112 AromaticContact CD2-CD2 3.79Å; F50-F112 HydrophobicContact CD2-CD2 3.79Å; F50-F112 AromaticContact CD2-CE1 3.94Å; F50-F112 HydrophobicContact CD2-CE1 3.94Å; F50-F112 HydrophobicContact CD2-CE2 4.14Å; F50-F112 AromaticContact CD2-CG 3.48Å; F50-F112 HydrophobicContact CD2-CG 3.48Å; F50-F112 VanDerWaalsContact CD2-CG 3.48Å; F50-F112 HydrophobicContact CD2-CZ 4.21Å; F50-F112 HydrophobicContact CE2-CB 3.96Å; F50-F112 HydrophobicContact CE2-CD1 4.33Å; F50-F112 AromaticContact CE2-CD2 3.71Å; F50-F112 HydrophobicContact CE2-CD2 3.71Å; F50-F112 HydrophobicContact CE2-CE2 4.23Å; F50-F112 AromaticContact CE2-CG 3.75Å; F50-F112 HydrophobicContact CE2-CG 3.75Å; L53-F112 HydrophobicContact CB-CE1 4.03Å; L53-F112 HydrophobicContact CB-CZ 3.72Å; L53-F112 HydrophobicContact CD1-CE1 4.37Å; R54-F112 HydrophobicContact CB-CE2 4.25Å; L95-F112 HydrophobicContact CD2-CE2 4Å; F98-F112 HydrophobicContact CB-CD2 4.18Å; F98-F112 HydrophobicContact CD1-CB 4.03Å; F98-F112 AromaticContact CD1-CD2 3.9Å; F98-F112 HydrophobicContact CD1-CD2 3.9Å; F98-F112 HydrophobicContact CD1-CG 4.45Å; F98-F112 AromaticContact CD2-CD2 3.88Å; F98-F112 HydrophobicContact CD2-CD2 3.88Å; F98-F112 HydrophobicContact CE1-CB 3.75Å; F98-F112 HydrophobicContact CE1-CD2 4.23Å; F98-F112 HydrophobicContact CE2-CD2 4.22Å; F98-F112 AromaticContact CG-CD2 3.71Å; F98-F112 HydrophobicContact CG-CD2 3.71Å; F98-F112 HydrophobicContact CG-CE2 4.42Å; F98-F112 HydrophobicContact CZ-CB 4.18Å; F98-F112 HydrophobicContact CZ-CD2 4.38Å; V108-F112 WeakPolarHBondContact O-CB 3.15Å; V108-F112 PolarHBondContact O-N 3.42Å; L109-F112 WeakPolarHBondContact O-CB 3.31Å; L109-F112 PolarHBondContact O-N 2.9Å; K110-F112 VanDerWaalsContact C-N 3.29Å; K110-F112 PolarHBondContact O-N 2.97Å; F112-Q114 VanDerWaalsContact C-N 3.32Å; F112-Q114 PolarHBondContact O-N 3.19Å; F112-T115 CarbonylContact O-C 3.52Å; F112-T115 WeakPolarHBondContact O-CA 3.37Å; F112-T115 WeakPolarHBondContact O-CB 3.43Å; F112-T115 PolarHBondContact O-N 2.88Å; F112-L116 HydrophobicContact CD1-CD1 4.13Å; F112-L116 HydrophobicContact CD1-CG 4.26Å; F112-L116 HydrophobicContact CE1-CD1 3.59Å; F112-L116 HydrophobicContact CE1-CD2 4.26Å; F112-L116 HydrophobicContact CE1-CG 3.98Å; F112-L116 HydrophobicContact CE2-CD2 4.19Å; F112-L116 HydrophobicContact CZ-CD1 4.05Å; F112-L116 HydrophobicContact CZ-CD2 3.92Å; F112-L116 HydrophobicContact CZ-CG 4.16Å; F112-L116 WeakPolarHBondContact O-CG 3.31Å; F112-L116 PolarHBondContact O-N 3.41Å; F112-H172 AromaticContact CD1-NE2 3.7Å
113T96.8Very high96.5Very high5 Ų555 Ų553%0.03127%0.271CS..Hα-helixtrans-55.2-47.5176.6-60.40000111.4L109 K110 T115 L116 V117 H172 T173 D177L109-T113 PolarHBondContact O-N 3.23Å; L109-T113 PolarHBondContact O-OG1 3.3Å; K110-T113 PolarHBondContact O-N 3.1Å; T113-T115 VanDerWaalsContact C-N 3.3Å; T113-T115 PolarHBondContact O-N 3.26Å; T113-L116 PolarHBondContact O-N 3Å; T113-V117 WeakPolarHBondContact O-CG2 3.49Å; T113-V117 PolarHBondContact O-N 3.1Å; T113-H172 PolarHBondContact OG1-NE2 3.33Å; T113-T173 HydrophobicContact CG2-CG2 4.34Å; T113-D177 HydrophobicContact CG2-CB 4.09Å
114Q96.7Very high96.4Very high94 Ų9457.1 Ų57.144%0.43928%0.281SS..Hα-helixtrans-62.4-36.7176-173.359.963.200112.6K110 F112 V117 N118K110-Q114 PolarHBondContact O-N 3.48Å; F112-Q114 VanDerWaalsContact C-N 3.32Å; F112-Q114 PolarHBondContact O-N 3.19Å; Q114-V117 WeakPolarHBondContact O-CB 3.47Å; Q114-V117 PolarHBondContact O-N 3.47Å; Q114-N118 PolarHBondContact NE2-OD1 2.81Å; Q114-N118 VanDerWaalsContact NE2-OD1 3.13Å; Q114-N118 PolarHBondContact O-N 3.33Å; Q114-N118 PolarHBondContact O-ND2 3.32Å; Q114-N118 PolarHBondContact O-OD1 3.02Å
115T98.3Very high96.2Very high23 Ų2356.1 Ų56.114%0.14128%0.276CS..Hα-helixtrans-65-41.6175.6-60.90000111.2E94 F98 N111 F112 T113 V117 N118 I119E94-T115 HydrophobicContact CB-CG2 3.99Å; F98-T115 HydrophobicContact CE2-CG2 4.02Å; N111-T115 WeakPolarHBondContact O-CB 3.4Å; N111-T115 PolarHBondContact O-N 3.19Å; N111-T115 PolarHBondContact O-OG1 3.36Å; F112-T115 CarbonylContact O-C 3.52Å; F112-T115 WeakPolarHBondContact O-CA 3.37Å; F112-T115 WeakPolarHBondContact O-CB 3.43Å; F112-T115 PolarHBondContact O-N 2.88Å; T113-T115 VanDerWaalsContact C-N 3.3Å; T113-T115 PolarHBondContact O-N 3.26Å; T115-V117 VanDerWaalsContact C-N 3.34Å; T115-V117 PolarHBondContact O-N 3.22Å; T115-N118 WeakPolarHBondContact O-CB 3.41Å; T115-N118 PolarHBondContact O-N 3.49Å; T115-I119 HydrophobicContact CG2-CD1 3.9Å; T115-I119 HydrophobicContact CG2-CG1 4.39Å; T115-I119 WeakPolarHBondContact O-CG1 3.41Å; T115-I119 PolarHBondContact O-N 2.98Å
116L97.9Very high96.1Very high0 Ų052.8 Ų52.80%026%0.258CS..Hα-helixtrans-62.2-40.7174.5-61.9-168.2000112.1L53 L57 L95 F112 T113 N118 I119 R120 M169 H172 T173L53-L116 HydrophobicContact CD1-CD1 4.21Å; L57-L116 HydrophobicContact CD1-CD2 3.54Å; L95-L116 HydrophobicContact CD2-CD2 3.79Å; F112-L116 HydrophobicContact CD1-CD1 4.13Å; F112-L116 HydrophobicContact CD1-CG 4.26Å; F112-L116 HydrophobicContact CE1-CD1 3.59Å; F112-L116 HydrophobicContact CE1-CD2 4.26Å; F112-L116 HydrophobicContact CE1-CG 3.98Å; F112-L116 HydrophobicContact CE2-CD2 4.19Å; F112-L116 HydrophobicContact CZ-CD1 4.05Å; F112-L116 HydrophobicContact CZ-CD2 3.92Å; F112-L116 HydrophobicContact CZ-CG 4.16Å; F112-L116 WeakPolarHBondContact O-CG 3.31Å; F112-L116 PolarHBondContact O-N 3.41Å; T113-L116 PolarHBondContact O-N 3Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.5Å; L116-I119 PolarHBondContact O-N 2.89Å; L116-R120 VanDerWaalsContact O-CB 3.32Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 2.93Å; L116-M169 HydrophobicContact CB-CG 4.36Å; L116-M169 HydrophobicContact CD1-CG 4.48Å; L116-M169 HydrophobicContact CD2-CG 4.19Å; L116-H172 HydrophobicContact CD1-CB 3.95Å; L116-T173 HydrophobicContact CB-CG2 4.14Å
117V96.2Very high96Very high16 Ų1646.1 Ų46.110%0.09723%0.232CC..Hα-helixtrans-59.3-45.2173.2172.80000110.7T113 Q114 T115 R120 N121 T173T113-V117 WeakPolarHBondContact O-CG2 3.49Å; T113-V117 PolarHBondContact O-N 3.1Å; Q114-V117 WeakPolarHBondContact O-CB 3.47Å; Q114-V117 PolarHBondContact O-N 3.47Å; T115-V117 VanDerWaalsContact C-N 3.34Å; T115-V117 PolarHBondContact O-N 3.22Å; V117-R120 PolarHBondContact O-N 3.21Å; V117-N121 WeakPolarHBondContact O-CB 3.32Å; V117-N121 PolarHBondContact O-N 3.15Å; V117-N121 PolarHBondContact O-ND2 3.34Å; V117-T173 HydrophobicContact CG2-CG2 3.74Å
118N97.3Very high95.8Very high71 Ų7142.7 Ų42.738%0.3822%0.216SC..Hα-helixtrans-64.3-44.3179.2-65.8-16.3000112Q114 T115 L116 N121 R122Q114-N118 PolarHBondContact NE2-OD1 2.81Å; Q114-N118 VanDerWaalsContact NE2-OD1 3.13Å; Q114-N118 PolarHBondContact O-N 3.33Å; Q114-N118 PolarHBondContact O-ND2 3.32Å; Q114-N118 PolarHBondContact O-OD1 3.02Å; T115-N118 WeakPolarHBondContact O-CB 3.41Å; T115-N118 PolarHBondContact O-N 3.49Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.5Å; N118-N121 PolarHBondContact O-N 3.38Å; N118-R122 WeakPolarHBondContact O-CB 3.33Å; N118-R122 PolarHBondContact O-N 2.97Å
119I98.1Very high95.6Very high2 Ų242.7 Ų42.71%0.0122%0.216CC..Hα-helixtrans-61.6-46.8175.8-69167.7000110.4L95 T115 L116 N121 R122 H123 M169L95-I119 HydrophobicContact CD1-CD1 4.03Å; L95-I119 HydrophobicContact CD2-CD1 3.9Å; L95-I119 HydrophobicContact CG-CD1 3.68Å; T115-I119 HydrophobicContact CG2-CD1 3.9Å; T115-I119 HydrophobicContact CG2-CG1 4.39Å; T115-I119 WeakPolarHBondContact O-CG1 3.41Å; T115-I119 PolarHBondContact O-N 2.98Å; L116-I119 PolarHBondContact O-N 2.89Å; I119-N121 VanDerWaalsContact C-N 3.3Å; I119-N121 PolarHBondContact O-N 2.89Å; I119-R122 WeakPolarHBondContact O-CB 3.47Å; I119-R122 PolarHBondContact O-N 3.4Å; I119-H123 WeakPolarHBondContact O-CB 3.5Å; I119-H123 PolarHBondContact O-N 3.49Å; I119-M169 HydrophobicContact CB-SD 4.1Å; I119-M169 HydrophobicContact CG2-CE 4.19Å; I119-M169 HydrophobicContact CG2-SD 3.66Å
120R95.5Very high95.5Very high55 Ų5542 Ų4221%0.20821%0.212CC..Hα-helixtrans-55.5-46.9176.5-177.5-175.468.9-158.8-0.5111.2L116 V117 H123 N124 N170 T173L116-R120 VanDerWaalsContact O-CB 3.32Å; L116-R120 WeakPolarHBondContact O-CB 3.3Å; L116-R120 PolarHBondContact O-N 2.93Å; V117-R120 PolarHBondContact O-N 3.21Å; R120-H123 PolarHBondContact O-N 2.88Å; R120-N124 PolarHBondContact O-N 2.94Å; R120-N124 PolarHBondContact O-OD1 2.88Å; R120-N170 WeakPolarHBondContact CD-OD1 3.36Å; R120-T173 PolarHBondContact NH1-OG1 2.73Å; R120-T173 VanDerWaalsContact NH1-OG1 3.14Å
121N94.6Very high95.3Very high79 Ų7935.1 Ų35.142%0.42218%0.183SC..Hα-helixtrans-66.1-43.8-179.9-68.7-13.9000112.1V117 N118 I119 H123 N124V117-N121 WeakPolarHBondContact O-CB 3.32Å; V117-N121 PolarHBondContact O-N 3.15Å; V117-N121 PolarHBondContact O-ND2 3.34Å; N118-N121 PolarHBondContact O-N 3.38Å; I119-N121 VanDerWaalsContact C-N 3.3Å; I119-N121 PolarHBondContact O-N 2.89Å; N121-H123 PolarHBondContact O-N 3.18Å; N121-N124 WeakPolarHBondContact O-CB 3.37Å; N121-N124 PolarHBondContact O-N 2.78Å; N121-N124 PolarHBondContact O-ND2 2.86Å
122R97.4Very high95Very high47 Ų4734 Ų3418%0.17717%0.174CC..Hα-helixtrans-55.9-39.2173.6-174.9-174.1-57.5125.37.6111.6W87 Q90 S91 E94 N118 I119 N124W87-R122 HydrophobicContact CB-CG 4.05Å; W87-R122 HydrophobicContact CG-CG 3.9Å; Q90-R122 VanDerWaalsContact NE2-NH2 3.16Å; S91-R122 PolarHBondContact OG-NH1 2.97Å; E94-R122 IonicContact OE1-CZ 3.52Å; E94-R122 IonicContact OE1-NH1 3.67Å; E94-R122 IonicContact OE1-NH2 3.67Å; E94-R122 PolarHBondContact OE1-NH2 3.42Å; E94-R122 IonicContact OE2-CZ 3.95Å; E94-R122 IonicContact OE2-NH1 2.9Å; E94-R122 PolarHBondContact OE2-NH1 2.84Å; E94-R122 IonicContact OE2-NH2 3.72Å; E94-R122 PolarHBondContact OE2-NH2 2.82Å; N118-R122 WeakPolarHBondContact O-CB 3.33Å; N118-R122 PolarHBondContact O-N 2.97Å; I119-R122 WeakPolarHBondContact O-CB 3.47Å; I119-R122 PolarHBondContact O-N 3.4Å; R122-N124 VanDerWaalsContact C-N 3.33Å; R122-N124 PolarHBondContact O-N 2.83Å
123H97Very high94.8Very high6 Ų634 Ų343%0.02817%0.174CC..THydrogen-bonded Turntrans-85.93.3-176.2-70.3-166.3000114.2S91 I119 R120 N121 N125 V126 R162S91-H123 PolarHBondContact OG-CE1 2.77Å; S91-H123 PolarHBondContact OG-NE2 2.93Å; I119-H123 WeakPolarHBondContact O-CB 3.5Å; I119-H123 PolarHBondContact O-N 3.49Å; R120-H123 PolarHBondContact O-N 2.88Å; N121-H123 PolarHBondContact O-N 3.18Å; H123-N125 VanDerWaalsContact C-N 3.3Å; H123-N125 PolarHBondContact O-N 2.76Å; H123-V126 HydrophobicContact CB-CG2 3.93Å; H123-V126 WeakPolarHBondContact O-CB 3.49Å; H123-V126 WeakPolarHBondContact O-CG2 3.26Å; H123-V126 PolarHBondContact O-N 2.98Å; H123-R162 PolarHBondContact O-NH2 3.14Å
124N91Very high94.6Very high72 Ų7233.9 Ų33.939%0.38517%0.174SC..THydrogen-bonded Turntrans-57.2-41.2-177.6-82.4-20.8000112.7R120 N121 R122 R162 R166R120-N124 PolarHBondContact O-N 2.94Å; R120-N124 PolarHBondContact O-OD1 2.88Å; N121-N124 WeakPolarHBondContact O-CB 3.37Å; N121-N124 PolarHBondContact O-N 2.78Å; N121-N124 PolarHBondContact O-ND2 2.86Å; R122-N124 VanDerWaalsContact C-N 3.33Å; R122-N124 PolarHBondContact O-N 2.83Å; N124-R162 PolarHBondContact O-NH2 3.23Å; N124-R166 PolarHBondContact OD1-NH1 2.9Å
125N92.1Very high94.3Very high85 Ų8531.1 Ų31.146%0.45516%0.162SC..THydrogen-bonded Turntrans-93.511-175.6-66.5-22.4000114.6W87 H123 V127 P128 T129W87-N125 HydrophobicContact CH2-CB 4.38Å; H123-N125 VanDerWaalsContact C-N 3.3Å; H123-N125 PolarHBondContact O-N 2.76Å; N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 3.26Å; N125-P128 HydrophobicContact CB-CG 4.28Å; N125-P128 VanDerWaalsContact O-CD 3.22Å; N125-P128 WeakPolarHBondContact O-CD 3.2Å; N125-P128 VanDerWaalsContact O-CG 3.31Å; N125-P128 WeakPolarHBondContact O-CG 3.32Å; N125-T129 VanDerWaalsContact O-CB 3.29Å; N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.83Å
126V94.8Very high93.9Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-58.7-38.9-178.2164.90000113.3L84 W87 Y88 H123 M130 F158L84-V126 HydrophobicContact CD1-CG1 4.03Å; W87-V126 HydrophobicContact CE3-CG2 3.95Å; W87-V126 HydrophobicContact CZ3-CG2 4.19Å; Y88-V126 HydrophobicContact CE2-CG1 4.32Å; Y88-V126 HydrophobicContact CE2-CG2 4.22Å; H123-V126 HydrophobicContact CB-CG2 3.93Å; H123-V126 WeakPolarHBondContact O-CB 3.49Å; H123-V126 WeakPolarHBondContact O-CG2 3.26Å; H123-V126 PolarHBondContact O-N 2.98Å; V126-M130 WeakPolarHBondContact O-CB 3.47Å; V126-M130 PolarHBondContact O-N 2.84Å; V126-F158 HydrophobicContact CG1-CE1 3.53Å; V126-F158 HydrophobicContact CG1-CZ 3.41Å; V126-F158 VanDerWaalsContact CG1-CZ 3.41Å
127V92.4Very high93.7Very high34 Ų3432.5 Ų32.521%0.20617%0.167CC..Hα-helixtrans-63.6-58.5179.1176.20000111.7N125 T129 M130 A131 Y159 I334N125-V127 VanDerWaalsContact C-N 3.31Å; N125-V127 PolarHBondContact O-N 3.26Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 2.84Å; V127-M130 PolarHBondContact O-N 2.96Å; V127-A131 PolarHBondContact O-N 3.11Å; V127-Y159 HydrophobicContact CB-CE1 4.22Å; V127-Y159 HydrophobicContact CG1-CE1 4.34Å; V127-Y159 HydrophobicContact CG2-CD1 4.07Å; V127-Y159 HydrophobicContact CG2-CE1 3.78Å; V127-Y159 PolarHBondContact O-OH 2.93Å; V127-I334 HydrophobicContact CG1-CD1 3.58Å; V127-I334 HydrophobicContact CG2-CD1 4.32Å
128P91.4Very high93.4Very high38 Ų3836 Ų3625%0.24718%0.181CC..Hα-helixtrans-63.8-36.2178.923.1-33000112.8N125 A131 Q132 F328N125-P128 HydrophobicContact CB-CG 4.28Å; N125-P128 VanDerWaalsContact O-CD 3.22Å; N125-P128 WeakPolarHBondContact O-CD 3.2Å; N125-P128 VanDerWaalsContact O-CG 3.31Å; N125-P128 WeakPolarHBondContact O-CG 3.32Å; P128-A131 PolarHBondContact O-N 2.86Å; P128-Q132 WeakPolarHBondContact O-CB 3.48Å; P128-Q132 PolarHBondContact O-N 3.35Å; P128-F328 HydrophobicContact CB-CE2 4.17Å
129T92.9Very high93Very high15 Ų1539.1 Ų39.19%0.09219%0.193CC..Hα-helixtrans-64.8-43.7176.8-59.80000112.1S80 L83 W87 N125 V127 Q132 G133S80-T129 WeakPolarHBondContact CB-O 3.46Å; S80-T129 WeakPolarHBondContact O-CG2 3.3Å; L83-T129 HydrophobicContact CD2-CG2 4.39Å; W87-T129 HydrophobicContact CH2-CG2 4.12Å; W87-T129 WeakPolarHBondContact CH2-OG1 3.32Å; W87-T129 HydrophobicContact CZ3-CG2 4.04Å; N125-T129 VanDerWaalsContact O-CB 3.29Å; N125-T129 WeakPolarHBondContact O-CB 3.33Å; N125-T129 PolarHBondContact O-N 3.26Å; N125-T129 PolarHBondContact O-OG1 2.83Å; V127-T129 VanDerWaalsContact C-N 3.34Å; V127-T129 PolarHBondContact O-N 2.84Å; T129-Q132 WeakPolarHBondContact O-CB 3.48Å; T129-Q132 PolarHBondContact O-N 3.12Å; T129-G133 PolarHBondContact O-N 3.42Å
130M94.9Very high92.6Very high1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-65.6-41.3176-173.667.1-153.200111.5L75 V81 L84 V126 V127 Q132 G133 V134 F154 L155 F158 Y159L75-M130 HydrophobicContact CD2-CE 4.47Å; V81-M130 HydrophobicContact CG2-CE 4.1Å; V81-M130 HydrophobicContact CG2-SD 4.15Å; L84-M130 HydrophobicContact CD1-CB 3.69Å; L84-M130 HydrophobicContact CD1-CG 4.29Å; L84-M130 HydrophobicContact CD1-SD 3.88Å; V126-M130 WeakPolarHBondContact O-CB 3.47Å; V126-M130 PolarHBondContact O-N 2.84Å; V127-M130 PolarHBondContact O-N 2.96Å; M130-Q132 VanDerWaalsContact C-N 3.27Å; M130-Q132 PolarHBondContact O-N 2.92Å; M130-G133 PolarHBondContact O-N 2.7Å; M130-G133 VanDerWaalsContact O-N 3.13Å; M130-V134 HydrophobicContact CE-CG2 3.86Å; M130-V134 WeakPolarHBondContact O-CG2 3.4Å; M130-V134 PolarHBondContact O-N 2.97Å; M130-F154 HydrophobicContact CE-CD1 4.35Å; M130-F154 HydrophobicContact CE-CE1 3.79Å; M130-F154 HydrophobicContact SD-CE1 4.32Å; M130-L155 HydrophobicContact CE-CD2 3.83Å; M130-L155 HydrophobicContact CG-CD2 3.54Å; M130-L155 HydrophobicContact SD-CD2 4.4Å; M130-F158 HydrophobicContact CB-CE1 4.28Å; M130-F158 HydrophobicContact CG-CD1 4.46Å; M130-F158 HydrophobicContact CG-CE1 4.25Å; M130-Y159 WeakPolarHBondContact CB-OH 3.43Å
131A91.5Very high92.3Very high3 Ų344.6 Ų44.63%0.02523%0.231CC..Hα-helixtrans-59-41.2175.700000111.8V127 P128 V134 L135 F328 Y330V127-A131 PolarHBondContact O-N 3.11Å; P128-A131 PolarHBondContact O-N 2.86Å; A131-V134 PolarHBondContact O-N 2.79Å; A131-L135 PolarHBondContact O-N 2.79Å; A131-F328 HydrophobicContact CB-CB 4.12Å; A131-F328 HydrophobicContact CB-CD1 4.27Å; A131-F328 HydrophobicContact CB-CD2 4.31Å; A131-F328 HydrophobicContact CB-CG 3.99Å; A131-Y330 HydrophobicContact CB-CD1 4.19Å; A131-Y330 HydrophobicContact CB-CD2 4.27Å; A131-Y330 HydrophobicContact CB-CE1 3.76Å; A131-Y330 HydrophobicContact CB-CE2 3.85Å; A131-Y330 HydrophobicContact CB-CG 4.45Å
132Q90.6Very high91.8Very high67 Ų6742.7 Ų42.731%0.31323%0.23SC..Hα-helixtrans-63-41.8174.2-175.159.437.300112.1S80 P128 T129 M130 V134 L135 E136S80-Q132 WeakPolarHBondContact OG-CG 3.4Å; P128-Q132 WeakPolarHBondContact O-CB 3.48Å; P128-Q132 PolarHBondContact O-N 3.35Å; T129-Q132 WeakPolarHBondContact O-CB 3.48Å; T129-Q132 PolarHBondContact O-N 3.12Å; M130-Q132 VanDerWaalsContact C-N 3.27Å; M130-Q132 PolarHBondContact O-N 2.92Å; Q132-V134 PolarHBondContact O-N 3.24Å; Q132-L135 WeakPolarHBondContact O-CB 3.37Å; Q132-L135 PolarHBondContact O-N 3.38Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.41Å; Q132-E136 WeakPolarHBondContact O-CB 3.36Å; Q132-E136 VanDerWaalsContact O-CG 3.27Å; Q132-E136 WeakPolarHBondContact O-CG 3.48Å; Q132-E136 PolarHBondContact O-N 2.97Å
133G92.8Very high91Very high0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-63.6-37.8175.700000113.7L75 T129 M130 L135 F137L75-G133 WeakPolarHBondContact CD1-O 3.48Å; T129-G133 PolarHBondContact O-N 3.42Å; M130-G133 PolarHBondContact O-N 2.7Å; M130-G133 VanDerWaalsContact O-N 3.13Å; G133-L135 VanDerWaalsContact C-N 3.34Å; G133-F137 WeakPolarHBondContact O-CB 3.16Å; G133-F137 PolarHBondContact O-N 3.1Å
134V92.4Very high90.4Very high4 Ų446.1 Ų46.12%0.02425%0.254CS..Hα-helixtrans-66.5-37.8173.5175.10000111.2M130 A131 Q132 F137 K138 V151 L155 M307M130-V134 HydrophobicContact CE-CG2 3.86Å; M130-V134 WeakPolarHBondContact O-CG2 3.4Å; M130-V134 PolarHBondContact O-N 2.97Å; A131-V134 PolarHBondContact O-N 2.79Å; Q132-V134 PolarHBondContact O-N 3.24Å; V134-F137 PolarHBondContact O-N 2.93Å; V134-K138 WeakPolarHBondContact O-CB 3.28Å; V134-K138 PolarHBondContact O-N 3.29Å; V134-V151 HydrophobicContact CG2-CG1 4.26Å; V134-L155 HydrophobicContact CG2-CD1 4.1Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; V134-M307 HydrophobicContact CG1-CE 3.79Å; V134-M307 HydrophobicContact CG1-CG 3.76Å; V134-M307 HydrophobicContact CG1-SD 4.44Å
135L90.1Very high90.1Very high35 Ų3547.4 Ų47.418%0.18327%0.266CS..Hα-helixtrans-65.9-49.3175.5-176.663.7000111.5A131 Q132 G133 F137 K138 E139A131-L135 PolarHBondContact O-N 2.79Å; Q132-L135 WeakPolarHBondContact O-CB 3.37Å; Q132-L135 PolarHBondContact O-N 3.38Å; G133-L135 VanDerWaalsContact C-N 3.34Å; L135-F137 PolarHBondContact O-N 3.37Å; L135-K138 PolarHBondContact O-N 2.88Å; L135-K138 VanDerWaalsContact O-N 3.11Å; L135-E139 HydrophobicContact CD1-CG 4.08Å; L135-E139 WeakPolarHBondContact CD1-OE1 3.29Å; L135-E139 HydrophobicContact CG-CG 4.39Å; L135-E139 WeakPolarHBondContact O-CG 3.39Å; L135-E139 PolarHBondContact O-N 3.29Å
136E92Very high89.8Confident44 Ų4444.5 Ų44.521%0.20625%0.252CS..Hα-helixtrans-51.3-45.6174.3-74.1163.1-169.500111T78 P79 S80 Q132 A140T78-E136 VanDerWaalsContact CB-OE2 3.28Å; T78-E136 WeakPolarHBondContact CB-OE2 3.19Å; T78-E136 HydrophobicContact CG2-CB 3.97Å; P79-E136 WeakPolarHBondContact CD-OE2 2.96Å; S80-E136 WeakPolarHBondContact CB-OE2 3.31Å; S80-E136 PolarHBondContact N-OE2 3.47Å; S80-E136 PolarHBondContact OG-OE1 2.93Å; S80-E136 PolarHBondContact OG-OE2 3.32Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.41Å; Q132-E136 WeakPolarHBondContact O-CB 3.36Å; Q132-E136 VanDerWaalsContact O-CG 3.27Å; Q132-E136 WeakPolarHBondContact O-CG 3.48Å; Q132-E136 PolarHBondContact O-N 2.97Å; E136-A140 VanDerWaalsContact O-CB 3.28Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.41Å
137F92.3Very high89.4Confident8 Ų845.6 Ų45.64%0.03526%0.258CS..Hα-helixtrans-64.8-48.3177.3172.4-108.2000112.7K74 L75 T78 G133 V134 L135 E139 A140 F141 V143 T147 M307K74-F137 HydrophobicContact CB-CD2 3.94Å; K74-F137 HydrophobicContact CB-CE2 3.64Å; K74-F137 HydrophobicContact CD-CE2 4.46Å; L75-F137 HydrophobicContact CB-CB 4.39Å; L75-F137 HydrophobicContact CB-CD2 3.9Å; L75-F137 HydrophobicContact CB-CE2 4.39Å; L75-F137 HydrophobicContact CB-CG 4Å; L75-F137 HydrophobicContact CD1-CB 3.61Å; L75-F137 HydrophobicContact CD1-CD1 4.47Å; L75-F137 HydrophobicContact CD1-CG 4.01Å; T78-F137 HydrophobicContact CG2-CB 4.11Å; G133-F137 WeakPolarHBondContact O-CB 3.16Å; G133-F137 PolarHBondContact O-N 3.1Å; V134-F137 PolarHBondContact O-N 2.93Å; L135-F137 PolarHBondContact O-N 3.37Å; F137-E139 PolarHBondContact O-N 3.34Å; F137-A140 PolarHBondContact O-N 3.47Å; F137-F141 HydrophobicContact CD2-CB 4.48Å; F137-F141 AromaticContact CD2-CD2 3.6Å; F137-F141 HydrophobicContact CD2-CD2 3.6Å; F137-F141 HydrophobicContact CD2-CE2 4.31Å; F137-F141 HydrophobicContact CD2-CG 4.43Å; F137-F141 HydrophobicContact CE2-CB 4.17Å; F137-F141 AromaticContact CE2-CD2 3.94Å; F137-F141 HydrophobicContact CE2-CD2 3.94Å; F137-F141 HydrophobicContact CE2-CG 4.37Å; F137-F141 WeakPolarHBondContact O-CD2 3.37Å; F137-F141 PolarHBondContact O-N 2.86Å; F137-V143 HydrophobicContact CD1-CG2 4.28Å; F137-V143 HydrophobicContact CE1-CG1 4.46Å; F137-V143 HydrophobicContact CE1-CG2 3.95Å; F137-T147 HydrophobicContact CE1-CG2 3.68Å; F137-T147 HydrophobicContact CZ-CG2 3.71Å; F137-M307 HydrophobicContact CD1-CE 4.44Å
138K89.7Confident89.2Confident90 Ų9046.3 Ų46.339%0.39126%0.261SS..Hα-helixtrans-62.9-42.5-178177.3178.4177-1740112.2V134 L135 G142 V143 M307V134-K138 WeakPolarHBondContact O-CB 3.28Å; V134-K138 PolarHBondContact O-N 3.29Å; L135-K138 PolarHBondContact O-N 2.88Å; L135-K138 VanDerWaalsContact O-N 3.11Å; K138-G142 WeakPolarHBondContact O-CA 3.43Å; K138-G142 PolarHBondContact O-N 2.88Å; K138-V143 HydrophobicContact CB-CG2 3.95Å; K138-V143 HydrophobicContact CG-CG2 3.93Å; K138-M307 PolarHBondContact NZ-O 2.95Å
139E88.9Confident89.1Confident137 Ų13750.3 Ų50.364%0.6428%0.276SS*.Hα-helixtrans-69.5-39.5-179.6-71-179.6168.100112L135 F137L135-E139 HydrophobicContact CD1-CG 4.08Å; L135-E139 WeakPolarHBondContact CD1-OE1 3.29Å; L135-E139 HydrophobicContact CG-CG 4.39Å; L135-E139 WeakPolarHBondContact O-CG 3.39Å; L135-E139 PolarHBondContact O-N 3.29Å; F137-E139 PolarHBondContact O-N 3.34Å
140A90.3Very high89Confident68 Ų6850.6 Ų50.656%0.56228%0.277SS*.Hα-helixtrans-78.4-33-176.800000113.9E136 F137E136-A140 VanDerWaalsContact O-CB 3.28Å; E136-A140 WeakPolarHBondContact O-CB 3.38Å; E136-A140 PolarHBondContact O-N 3.41Å; F137-A140 PolarHBondContact O-N 3.47Å
141F89.1Confident89Confident104 Ų10450.6 Ų50.646%0.45628%0.277SS..Hα-helixtrans-125.6-8.9-167.4-55.4-69.7000115K74 F137K74-F141 HydrophobicContact CB-CD2 3.94Å; K74-F141 HydrophobicContact CB-CE2 3.85Å; K74-F141 HydrophobicContact CB-CG 4.36Å; K74-F141 HydrophobicContact CB-CZ 4.2Å; K74-F141 HydrophobicContact CD-CB 4.26Å; K74-F141 HydrophobicContact CD-CD1 3.68Å; K74-F141 HydrophobicContact CD-CD2 4.21Å; K74-F141 HydrophobicContact CD-CE1 4.01Å; K74-F141 HydrophobicContact CD-CG 3.78Å; K74-F141 HydrophobicContact CD-CZ 4.41Å; K74-F141 HydrophobicContact CG-CD1 4.32Å; K74-F141 HydrophobicContact CG-CD2 4.42Å; K74-F141 HydrophobicContact CG-CE1 4.18Å; K74-F141 HydrophobicContact CG-CE2 4.3Å; K74-F141 HydrophobicContact CG-CG 4.42Å; K74-F141 HydrophobicContact CG-CZ 4.17Å; F137-F141 HydrophobicContact CD2-CB 4.48Å; F137-F141 AromaticContact CD2-CD2 3.6Å; F137-F141 HydrophobicContact CD2-CD2 3.6Å; F137-F141 HydrophobicContact CD2-CE2 4.31Å; F137-F141 HydrophobicContact CD2-CG 4.43Å; F137-F141 HydrophobicContact CE2-CB 4.17Å; F137-F141 AromaticContact CE2-CD2 3.94Å; F137-F141 HydrophobicContact CE2-CD2 3.94Å; F137-F141 HydrophobicContact CE2-CG 4.37Å; F137-F141 WeakPolarHBondContact O-CD2 3.37Å; F137-F141 PolarHBondContact O-N 2.86Å
142G84.3Confident89.1Confident39 Ų3952 Ų5240%0.40228%0.283SS..  trans64178.6-163.800000111.5K138K138-G142 WeakPolarHBondContact O-CA 3.43Å; K138-G142 PolarHBondContact O-N 2.88Å
143V80.8Confident89.4Confident52 Ų5251.2 Ų51.232%0.31528%0.278SS..  trans-139.8122.6-179.6-1690000109.9F137 K138 T147 N148 M307F137-V143 HydrophobicContact CD1-CG2 4.28Å; F137-V143 HydrophobicContact CE1-CG1 4.46Å; F137-V143 HydrophobicContact CE1-CG2 3.95Å; K138-V143 HydrophobicContact CB-CG2 3.95Å; K138-V143 HydrophobicContact CG-CG2 3.93Å; V143-T147 HydrophobicContact CG1-CG2 4.17Å; V143-N148 HydrophobicContact CG1-CB 3.76Å; V143-M307 HydrophobicContact CB-SD 4.14Å; V143-M307 HydrophobicContact CG1-CE 4.12Å; V143-M307 HydrophobicContact CG1-SD 3.66Å; V143-M307 HydrophobicContact CG2-CE 4.31Å; V143-M307 HydrophobicContact CG2-SD 3.76Å
144D84.7Confident89.6Confident72 Ų7251.2 Ų51.239%0.38528%0.278SS..  trans-82.6160.8169.971.388000111.4V146 T147 N148D144-V146 VanDerWaalsContact C-N 3.31Å; D144-V146 PolarHBondContact O-N 3.44Å; D144-V146 WeakPolarHBondContact OD1-CB 3.06Å; D144-V146 PolarHBondContact OD1-N 3.42Å; D144-T147 PolarHBondContact O-N 2.94Å; D144-T147 PolarHBondContact OD1-N 3.46Å; D144-T147 WeakPolarHBondContact OD2-CB 3.49Å; D144-T147 PolarHBondContact OD2-OG1 2.91Å; D144-N148 PolarHBondContact O-N 2.96Å
145P84.4Confident89.9Confident99 Ų9951 Ų5164%0.64328%0.277SS*.Hα-helixtrans-56.5-37.4-176.6-27.836.3000115.2N148 Q149P145-N148 PolarHBondContact O-N 2.96Å; P145-Q149 WeakPolarHBondContact O-CG 3.16Å; P145-Q149 PolarHBondContact O-N 2.93Å
146V85.1Confident90.3Very high25 Ų2551.1 Ų51.115%0.15228%0.277CS..Hα-helixtrans-71.9-45.8-178.51710000110.2D144 N148 Q149 N150 I388D144-V146 VanDerWaalsContact C-N 3.31Å; D144-V146 PolarHBondContact O-N 3.44Å; D144-V146 WeakPolarHBondContact OD1-CB 3.06Å; D144-V146 PolarHBondContact OD1-N 3.42Å; V146-N148 VanDerWaalsContact C-N 3.26Å; V146-N148 PolarHBondContact O-N 3.22Å; V146-Q149 PolarHBondContact O-N 2.95Å; V146-Q149 VanDerWaalsContact O-N 3.15Å; V146-N150 PolarHBondContact O-N 3.46Å; V146-N150 PolarHBondContact O-OD1 3.49Å; V146-I388 HydrophobicContact CB-CG1 4.4Å; V146-I388 HydrophobicContact CG2-CB 4.25Å; V146-I388 HydrophobicContact CG2-CG1 3.41Å; V146-I388 VanDerWaalsContact CG2-CG1 3.41Å
147T87.1Confident90.6Very high22 Ų2251 Ų5114%0.13528%0.275CS..Hα-helixtrans-59.1-41174.6-61.20000111.4P72 F137 V143 D144 Q149 N150 V151P72-T147 HydrophobicContact CG-CG2 3.82Å; F137-T147 HydrophobicContact CE1-CG2 3.68Å; F137-T147 HydrophobicContact CZ-CG2 3.71Å; V143-T147 HydrophobicContact CG1-CG2 4.17Å; D144-T147 PolarHBondContact O-N 2.94Å; D144-T147 PolarHBondContact OD1-N 3.46Å; D144-T147 WeakPolarHBondContact OD2-CB 3.49Å; D144-T147 PolarHBondContact OD2-OG1 2.91Å; T147-Q149 PolarHBondContact O-N 3.2Å; T147-N150 PolarHBondContact O-N 2.96Å; T147-V151 HydrophobicContact CG2-CG2 4.23Å; T147-V151 WeakPolarHBondContact O-CB 3.43Å; T147-V151 VanDerWaalsContact O-CG2 3.3Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 3.03Å
148N88.4Confident90.9Very high50 Ų5050.6 Ų50.627%0.26727%0.273SS..Hα-helixtrans-61.6-43.1176.6-172.737.4000112V143 D144 P145 V146 Q152 M307V143-N148 HydrophobicContact CG1-CB 3.76Å; D144-N148 PolarHBondContact O-N 2.96Å; P145-N148 PolarHBondContact O-N 2.96Å; V146-N148 VanDerWaalsContact C-N 3.26Å; V146-N148 PolarHBondContact O-N 3.22Å; N148-Q152 VanDerWaalsContact O-CB 3.26Å; N148-Q152 WeakPolarHBondContact O-CB 3.44Å; N148-Q152 PolarHBondContact O-N 3.08Å; N148-M307 HydrophobicContact CB-SD 4.39Å; N148-M307 PolarHBondContact OD1-SD 3.16Å
149Q89.4Confident91.3Very high121 Ų12146.5 Ų46.557%0.56526%0.255SS*.Hα-helixtrans-63-45176.2-74.2173.2-5.300112P145 V146 T147 V151 Q152 Y153P145-Q149 WeakPolarHBondContact O-CG 3.16Å; P145-Q149 PolarHBondContact O-N 2.93Å; V146-Q149 PolarHBondContact O-N 2.95Å; V146-Q149 VanDerWaalsContact O-N 3.15Å; T147-Q149 PolarHBondContact O-N 3.2Å; Q149-V151 PolarHBondContact O-N 2.81Å; Q149-Q152 PolarHBondContact O-N 3.25Å; Q149-Y153 WeakPolarHBondContact O-CB 3.28Å; Q149-Y153 PolarHBondContact O-N 3.1Å
150N91.3Very high91.8Very high22 Ų2240.5 Ų40.512%0.11823%0.228CC..Hα-helixtrans-64.2-42.3179.6-69.62.2000111.7V146 T147 F154 H383V146-N150 PolarHBondContact O-N 3.46Å; V146-N150 PolarHBondContact O-OD1 3.49Å; T147-N150 PolarHBondContact O-N 2.96Å; N150-F154 WeakPolarHBondContact O-CB 3.42Å; N150-F154 PolarHBondContact O-N 3.32Å; N150-H383 PolarHBondContact OD1-O 3.27Å; N150-H383 VanDerWaalsContact OD1-O 3.08Å
151V93.3Very high92.2Very high1 Ų137.4 Ų37.41%0.00620%0.202CC..Hα-helixtrans-68.5-39.2176.3176.90000111L75 V134 T147 Q149 F154 L155 M307L75-V151 HydrophobicContact CD2-CG1 4.5Å; L75-V151 HydrophobicContact CD2-CG2 3.82Å; V134-V151 HydrophobicContact CG2-CG1 4.26Å; T147-V151 HydrophobicContact CG2-CG2 4.23Å; T147-V151 WeakPolarHBondContact O-CB 3.43Å; T147-V151 VanDerWaalsContact O-CG2 3.3Å; T147-V151 WeakPolarHBondContact O-CG2 3.45Å; T147-V151 PolarHBondContact O-N 3.03Å; Q149-V151 PolarHBondContact O-N 2.81Å; V151-F154 PolarHBondContact O-N 3.24Å; V151-L155 HydrophobicContact CG1-CD1 3.63Å; V151-L155 HydrophobicContact CG1-CG 4.01Å; V151-L155 WeakPolarHBondContact O-CB 2.96Å; V151-L155 VanDerWaalsContact O-CG 3.23Å; V151-L155 WeakPolarHBondContact O-CG 3.3Å; V151-L155 PolarHBondContact O-N 3.37Å; V151-M307 HydrophobicContact CB-CE 3.59Å; V151-M307 HydrophobicContact CG1-CE 3.49Å; V151-M307 VanDerWaalsContact CG1-CE 3.49Å; V151-M307 HydrophobicContact CG2-CE 3.83Å
152Q94.8Very high92.6Very high32 Ų3233.6 Ų33.615%0.1518%0.184CC..Hα-helixtrans-59.9-49.6174.4-177.865.640.400111.6N148 Q149 F154 L155 D156 F304 S305 Y306N148-Q152 VanDerWaalsContact O-CB 3.26Å; N148-Q152 WeakPolarHBondContact O-CB 3.44Å; N148-Q152 PolarHBondContact O-N 3.08Å; Q149-Q152 PolarHBondContact O-N 3.25Å; Q152-F154 VanDerWaalsContact C-N 3.34Å; Q152-F154 PolarHBondContact O-N 3.39Å; Q152-L155 PolarHBondContact O-N 3.25Å; Q152-D156 PolarHBondContact O-N 3.12Å; Q152-D156 VanDerWaalsContact O-N 3.08Å; Q152-F304 PolarHBondContact NE2-O 3.39Å; Q152-F304 VanDerWaalsContact NE2-O 3.15Å; Q152-S305 VanDerWaalsContact OE1-CA 3.25Å; Q152-Y306 VanDerWaalsContact NE2-CD2 3.29Å; Q152-Y306 VanDerWaalsContact NE2-CE2 3.29Å; Q152-Y306 VanDerWaalsContact OE1-CD2 3.32Å
153Y96.4Very high93.3Very high50 Ų5032 Ų3220%0.19617%0.166CC..Hα-helixtrans-58.4-45.8177.3174-97.1000111.6Q149 R157 A380 H383 Y384Q149-Y153 WeakPolarHBondContact O-CB 3.28Å; Q149-Y153 PolarHBondContact O-N 3.1Å; Y153-R157 WeakPolarHBondContact O-CD 3.17Å; Y153-R157 WeakPolarHBondContact O-CG 3.31Å; Y153-R157 PolarHBondContact O-N 3.1Å; Y153-R157 WeakPolarHBondContact OH-CD 3.34Å; Y153-R157 PolarHBondContact OH-NE 3.14Å; Y153-R157 PolarHBondContact OH-NH1 3.47Å; Y153-A380 WeakPolarHBondContact OH-CA 3.43Å; Y153-H383 HydrophobicContact CD1-CB 3.81Å; Y153-H383 HydrophobicContact CD2-CB 4.33Å; Y153-H383 HydrophobicContact CE1-CB 3.57Å; Y153-H383 AromaticContact CE1-CG 3.99Å; Y153-H383 HydrophobicContact CE2-CB 4.1Å; Y153-H383 AromaticContact CE2-CD2 3.6Å; Y153-H383 AromaticContact CE2-CG 3.62Å; Y153-H383 AromaticContact CE2-ND1 3.9Å; Y153-H383 AromaticContact CE2-NE2 3.88Å; Y153-H383 HydrophobicContact CG-CB 4.19Å; Y153-H383 AromaticContact CZ-CD2 3.48Å; Y153-H383 VanDerWaalsContact CZ-CD2 3.48Å; Y153-H383 AromaticContact CZ-CG 3.59Å; Y153-H383 PolarHBondContact OH-CD2 3.1Å; Y153-Y384 HydrophobicContact CD1-CE1 4.02Å; Y153-Y384 HydrophobicContact CD1-CE2 4.15Å; Y153-Y384 AromaticContact CD1-CZ 3.66Å; Y153-Y384 HydrophobicContact CE1-CE1 4.46Å; Y153-Y384 AromaticContact CE1-CE2 3.77Å; Y153-Y384 HydrophobicContact CE1-CE2 3.77Å; Y153-Y384 AromaticContact CE1-CZ 3.71Å
154F97.7Very high94.2Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-60.8-50.4175.3169.9-100.9000112.3I64 E67 I68 L71 M130 N150 V151 Q152 D156 R157 F158 Y384I64-F154 HydrophobicContact CD1-CE2 4.17Å; E67-F154 HydrophobicContact CB-CD2 4.2Å; E67-F154 HydrophobicContact CB-CE2 4.32Å; I68-F154 HydrophobicContact CB-CE2 4.48Å; I68-F154 HydrophobicContact CD1-CZ 4.39Å; I68-F154 HydrophobicContact CG1-CE2 3.6Å; I68-F154 HydrophobicContact CG1-CZ 3.54Å; L71-F154 HydrophobicContact CD1-CD1 3.86Å; L71-F154 HydrophobicContact CD1-CD2 4.35Å; L71-F154 HydrophobicContact CD1-CE1 3.7Å; L71-F154 HydrophobicContact CD1-CE2 4.19Å; L71-F154 HydrophobicContact CD1-CG 4.2Å; L71-F154 HydrophobicContact CD1-CZ 3.88Å; L71-F154 HydrophobicContact CD2-CB 3.79Å; L71-F154 HydrophobicContact CD2-CD1 3.84Å; L71-F154 HydrophobicContact CD2-CD2 4.13Å; L71-F154 HydrophobicContact CD2-CG 3.63Å; L71-F154 HydrophobicContact CG-CD1 4.33Å; L71-F154 HydrophobicContact CG-CD2 4.3Å; L71-F154 HydrophobicContact CG-CG 4.21Å; M130-F154 HydrophobicContact CE-CD1 4.35Å; M130-F154 HydrophobicContact CE-CE1 3.79Å; M130-F154 HydrophobicContact SD-CE1 4.32Å; N150-F154 WeakPolarHBondContact O-CB 3.42Å; N150-F154 PolarHBondContact O-N 3.32Å; V151-F154 PolarHBondContact O-N 3.24Å; Q152-F154 VanDerWaalsContact C-N 3.34Å; Q152-F154 PolarHBondContact O-N 3.39Å; F154-D156 PolarHBondContact O-N 2.86Å; F154-R157 CarbonylContact O-C 3.58Å; F154-R157 PolarHBondContact O-N 3.14Å; F154-R157 VanDerWaalsContact O-N 3.14Å; F154-F158 HydrophobicContact CD1-CB 4.33Å; F154-F158 HydrophobicContact CE1-CB 3.85Å; F154-F158 HydrophobicContact CE1-CD2 4.29Å; F154-F158 AromaticContact CE1-CG 3.99Å; F154-F158 HydrophobicContact CE1-CG 3.99Å; F154-F158 HydrophobicContact CE2-CB 4.12Å; F154-F158 HydrophobicContact CE2-CD2 4.31Å; F154-F158 HydrophobicContact CZ-CB 3.73Å; F154-F158 AromaticContact CZ-CD2 3.64Å; F154-F158 HydrophobicContact CZ-CD2 3.64Å; F154-F158 HydrophobicContact CZ-CE2 4.49Å; F154-F158 AromaticContact CZ-CG 3.77Å; F154-F158 HydrophobicContact CZ-CG 3.77Å; F154-F158 VanDerWaalsContact O-CB 3.24Å; F154-F158 WeakPolarHBondContact O-CB 3.4Å; F154-F158 PolarHBondContact O-N 2.97Å; F154-Y384 WeakPolarHBondContact CA-OH 3.32Å; F154-Y384 HydrophobicContact CB-CE1 4.03Å
155L97.9Very high94.8Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-64.9-39.7-173.7-73.1172.9000112.1M130 V134 V151 Q152 R157 F158 Y159 Y306M130-L155 HydrophobicContact CE-CD2 3.83Å; M130-L155 HydrophobicContact CG-CD2 3.54Å; M130-L155 HydrophobicContact SD-CD2 4.4Å; V134-L155 HydrophobicContact CG2-CD1 4.1Å; V134-L155 HydrophobicContact CG2-CD2 4.48Å; V151-L155 HydrophobicContact CG1-CD1 3.63Å; V151-L155 HydrophobicContact CG1-CG 4.01Å; V151-L155 WeakPolarHBondContact O-CB 2.96Å; V151-L155 VanDerWaalsContact O-CG 3.23Å; V151-L155 WeakPolarHBondContact O-CG 3.3Å; V151-L155 PolarHBondContact O-N 3.37Å; Q152-L155 PolarHBondContact O-N 3.25Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 3.02Å; L155-F158 PolarHBondContact O-N 3.44Å; L155-Y159 HydrophobicContact CB-CD2 4.31Å; L155-Y159 HydrophobicContact CB-CE2 4.18Å; L155-Y159 HydrophobicContact CD2-CE2 3.87Å; L155-Y159 WeakPolarHBondContact O-CB 3.36Å; L155-Y159 WeakPolarHBondContact O-CD2 3.15Å; L155-Y159 PolarHBondContact O-N 3.44Å; L155-Y306 HydrophobicContact CB-CD2 3.38Å; L155-Y306 HydrophobicContact CB-CE2 3.36Å; L155-Y306 HydrophobicContact CB-CG 4.03Å; L155-Y306 VanDerWaalsContact CD1-CB 3.41Å; L155-Y306 HydrophobicContact CD1-CD1 4.3Å; L155-Y306 HydrophobicContact CD1-CD2 3.55Å; L155-Y306 HydrophobicContact CD1-CE2 4.37Å; L155-Y306 HydrophobicContact CD1-CG 3.5Å; L155-Y306 HydrophobicContact CG-CD2 4.12Å; L155-Y306 HydrophobicContact CG-CG 4.41Å
156D98.3Very high95.4Very high37 Ų3725.4 Ų25.420%0.19812%0.118CC..Hα-helixtrans-56.5-45.3174.2-84-25.2000110.4Q152 F154 M160 Y306 R336 L337Q152-D156 PolarHBondContact O-N 3.12Å; Q152-D156 VanDerWaalsContact O-N 3.08Å; F154-D156 PolarHBondContact O-N 2.86Å; D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3.47Å; D156-M160 PolarHBondContact O-N 3.15Å; D156-M160 VanDerWaalsContact O-N 3.1Å; D156-Y306 WeakPolarHBondContact OD1-CE2 3.48Å; D156-Y306 PolarHBondContact OD1-OH 3.4Å; D156-R336 IonicContact OD1-NH2 3.22Å; D156-R336 IonicContact OD2-NH2 2.76Å; D156-L337 HydrophobicContact CB-CD2 4.13Å; D156-L337 WeakPolarHBondContact O-CD1 3.3Å
157R98.6Very high96Very high42 Ų4224.3 Ų24.316%0.15811%0.111CC..Hα-helixtrans-73.5-40.8-179.9-66.6172.562.288.52.2112.7I64 E67 Y153 F154 L155 M160 S161 P374 V375I64-R157 HydrophobicContact CD1-CB 4.42Å; E67-R157 IonicContact OE1-CZ 3.53Å; E67-R157 IonicContact OE1-NE 3.36Å; E67-R157 PolarHBondContact OE1-NE 3.46Å; E67-R157 IonicContact OE1-NH2 3.55Å; E67-R157 PolarHBondContact OE1-NH2 2.84Å; E67-R157 WeakPolarHBondContact OE2-CD 3.36Å; E67-R157 IonicContact OE2-CZ 2.8Å; E67-R157 IonicContact OE2-NE 2.78Å; E67-R157 PolarHBondContact OE2-NE 2.82Å; E67-R157 IonicContact OE2-NH2 3.48Å; Y153-R157 WeakPolarHBondContact O-CD 3.17Å; Y153-R157 WeakPolarHBondContact O-CG 3.31Å; Y153-R157 PolarHBondContact O-N 3.1Å; Y153-R157 WeakPolarHBondContact OH-CD 3.34Å; Y153-R157 PolarHBondContact OH-NE 3.14Å; Y153-R157 PolarHBondContact OH-NH1 3.47Å; F154-R157 CarbonylContact O-C 3.58Å; F154-R157 PolarHBondContact O-N 3.14Å; F154-R157 VanDerWaalsContact O-N 3.14Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 3.02Å; R157-M160 PolarHBondContact O-N 3.29Å; R157-S161 WeakPolarHBondContact O-CB 3.25Å; R157-S161 PolarHBondContact O-N 3.09Å; R157-P374 HydrophobicContact CB-CB 3.86Å; R157-P374 HydrophobicContact CB-CG 4.49Å; R157-P374 HydrophobicContact CG-CB 4.13Å; R157-P374 WeakPolarHBondContact O-CG 3.41Å; R157-V375 VanDerWaalsContact NH2-C 3.26Å; R157-V375 VanDerWaalsContact NH2-N 3.19Å; R157-V375 PolarHBondContact NH2-O 3.42Å
158F98.6Very high96.6Very high0 Ų023.5 Ų23.50%011%0.106CC..Hα-helixtrans-60.2-49.5178.5175.6-103.2000111.4I64 I68 L84 Y88 V126 M130 F154 L155 S161 R162I64-F158 VanDerWaalsContact CD1-CA 3.49Å; I64-F158 HydrophobicContact CD1-CB 4.02Å; I64-F158 HydrophobicContact CD1-CD2 4.32Å; I64-F158 HydrophobicContact CG1-CB 4.24Å; I64-F158 HydrophobicContact CG1-CD2 3.63Å; I64-F158 HydrophobicContact CG1-CE2 4.49Å; I64-F158 HydrophobicContact CG1-CG 4.41Å; I68-F158 HydrophobicContact CD1-CE2 4.36Å; L84-F158 HydrophobicContact CD1-CE1 4.18Å; L84-F158 HydrophobicContact CD1-CZ 3.74Å; L84-F158 HydrophobicContact CD2-CE2 3.91Å; L84-F158 HydrophobicContact CD2-CZ 3.78Å; L84-F158 HydrophobicContact CG-CZ 4.19Å; Y88-F158 HydrophobicContact CE1-CE2 4.29Å; Y88-F158 AromaticContact CE2-CE2 3.78Å; Y88-F158 HydrophobicContact CE2-CE2 3.78Å; Y88-F158 AromaticContact CE2-CZ 3.78Å; Y88-F158 HydrophobicContact CE2-CZ 3.78Å; Y88-F158 AromaticContact CZ-CE2 3.54Å; Y88-F158 AromaticContact CZ-CZ 3.79Å; Y88-F158 VanDerWaalsContact OH-CE2 3.27Å; Y88-F158 WeakPolarHBondContact OH-CE2 3.44Å; Y88-F158 VanDerWaalsContact OH-CZ 3.3Å; Y88-F158 WeakPolarHBondContact OH-CZ 3.45Å; V126-F158 HydrophobicContact CG1-CE1 3.53Å; V126-F158 HydrophobicContact CG1-CZ 3.41Å; V126-F158 VanDerWaalsContact CG1-CZ 3.41Å; M130-F158 HydrophobicContact CB-CE1 4.28Å; M130-F158 HydrophobicContact CG-CD1 4.46Å; M130-F158 HydrophobicContact CG-CE1 4.25Å; F154-F158 HydrophobicContact CD1-CB 4.33Å; F154-F158 HydrophobicContact CE1-CB 3.85Å; F154-F158 HydrophobicContact CE1-CD2 4.29Å; F154-F158 AromaticContact CE1-CG 3.99Å; F154-F158 HydrophobicContact CE1-CG 3.99Å; F154-F158 HydrophobicContact CE2-CB 4.12Å; F154-F158 HydrophobicContact CE2-CD2 4.31Å; F154-F158 HydrophobicContact CZ-CB 3.73Å; F154-F158 AromaticContact CZ-CD2 3.64Å; F154-F158 HydrophobicContact CZ-CD2 3.64Å; F154-F158 HydrophobicContact CZ-CE2 4.49Å; F154-F158 AromaticContact CZ-CG 3.77Å; F154-F158 HydrophobicContact CZ-CG 3.77Å; F154-F158 VanDerWaalsContact O-CB 3.24Å; F154-F158 WeakPolarHBondContact O-CB 3.4Å; F154-F158 PolarHBondContact O-N 2.97Å; L155-F158 PolarHBondContact O-N 3.44Å; F158-S161 PolarHBondContact O-N 3.49Å; F158-R162 PolarHBondContact O-N 3.39Å
159Y98.6Very high97Very high4 Ų421.4 Ų21.42%0.01610%0.095CC..Hα-helixtrans-71.5-32.7178.3-67.3-49.4000112.5V127 M130 L155 R162 I163 Y306 Y330 I334 L337V127-Y159 HydrophobicContact CB-CE1 4.22Å; V127-Y159 HydrophobicContact CG1-CE1 4.34Å; V127-Y159 HydrophobicContact CG2-CD1 4.07Å; V127-Y159 HydrophobicContact CG2-CE1 3.78Å; V127-Y159 PolarHBondContact O-OH 2.93Å; M130-Y159 WeakPolarHBondContact CB-OH 3.43Å; L155-Y159 HydrophobicContact CB-CD2 4.31Å; L155-Y159 HydrophobicContact CB-CE2 4.18Å; L155-Y159 HydrophobicContact CD2-CE2 3.87Å; L155-Y159 WeakPolarHBondContact O-CB 3.36Å; L155-Y159 WeakPolarHBondContact O-CD2 3.15Å; L155-Y159 PolarHBondContact O-N 3.44Å; Y159-R162 PolarHBondContact O-N 2.89Å; Y159-I163 VanDerWaalsContact O-CG1 3.3Å; Y159-I163 WeakPolarHBondContact O-CG1 3.4Å; Y159-I163 PolarHBondContact O-N 3.39Å; Y159-Y306 AromaticContact CD2-CE1 3.85Å; Y159-Y306 HydrophobicContact CD2-CE1 3.85Å; Y159-Y306 AromaticContact CD2-CZ 3.82Å; Y159-Y306 HydrophobicContact CE2-CD1 4.27Å; Y159-Y306 AromaticContact CE2-CE1 3.75Å; Y159-Y306 HydrophobicContact CE2-CE1 3.75Å; Y159-Y330 AromaticContact CE2-CD2 3.72Å; Y159-Y330 HydrophobicContact CE2-CD2 3.72Å; Y159-Y330 AromaticContact CE2-CE2 3.66Å; Y159-Y330 HydrophobicContact CE2-CE2 3.66Å; Y159-Y330 AromaticContact CZ-CD2 3.89Å; Y159-Y330 AromaticContact CZ-CE2 3.81Å; Y159-Y330 WeakPolarHBondContact OH-CD2 3.32Å; Y159-Y330 WeakPolarHBondContact OH-CE2 3.38Å; Y159-I334 HydrophobicContact CD2-CG1 4.39Å; Y159-L337 VanDerWaalsContact CB-CD1 3.43Å; Y159-L337 HydrophobicContact CG-CD1 4.48Å
160M98.8Very high97.2Very high11 Ų1117.1 Ų17.15%0.0548%0.076CC..Hα-helixtrans-61-47.3170.6-169.368.680.100111.7D156 R157 R162 I163 S164 L337 K340 Y341 R372D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3.47Å; D156-M160 PolarHBondContact O-N 3.15Å; D156-M160 VanDerWaalsContact O-N 3.1Å; R157-M160 PolarHBondContact O-N 3.29Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.33Å; M160-I163 PolarHBondContact O-N 2.97Å; M160-S164 PolarHBondContact O-N 3.19Å; M160-L337 HydrophobicContact CE-CB 4.25Å; M160-L337 HydrophobicContact CE-CD2 3.86Å; M160-K340 HydrophobicContact CE-CB 3.82Å; M160-Y341 HydrophobicContact SD-CD2 3.76Å; M160-Y341 HydrophobicContact SD-CG 4.27Å; M160-R372 WeakPolarHBondContact CG-O 3.36Å
161S98.6Very high97.3Very high3 Ų316.5 Ų16.52%0.0217%0.072CC..Hα-helixtrans-58.2-42.8174.8-178.50000111.3R157 F158 S164 T165R157-S161 WeakPolarHBondContact O-CB 3.25Å; R157-S161 PolarHBondContact O-N 3.09Å; F158-S161 PolarHBondContact O-N 3.49Å; S161-S164 PolarHBondContact O-N 3.3Å; S161-S164 PolarHBondContact O-OG 3.28Å; S161-T165 PolarHBondContact O-N 3.1Å; S161-T165 PolarHBondContact O-OG1 3.39Å; S161-T165 VanDerWaalsContact O-OG1 3.1Å
162R98Very high97.4Very high23 Ų2316.6 Ų16.69%0.0877%0.072CC..Hα-helixtrans-63.9-44.2176.9-173.2-177.2179.4-89.86.1113.2H123 N124 F158 Y159 M160 S164 T165 R166H123-R162 PolarHBondContact O-NH2 3.14Å; N124-R162 PolarHBondContact O-NH2 3.23Å; F158-R162 PolarHBondContact O-N 3.39Å; Y159-R162 PolarHBondContact O-N 2.89Å; M160-R162 VanDerWaalsContact C-N 3.3Å; M160-R162 PolarHBondContact O-N 3.33Å; R162-S164 PolarHBondContact O-N 3.47Å; R162-T165 PolarHBondContact O-N 2.96Å; R162-T165 PolarHBondContact O-OG1 3.16Å; R162-R166 VanDerWaalsContact O-CB 3.3Å; R162-R166 WeakPolarHBondContact O-CB 3.36Å; R162-R166 PolarHBondContact O-N 3.29Å
163I98.6Very high97.3Very high6 Ų615.2 Ų15.23%0.0317%0.066CC..Hα-helixtrans-56.8-45.1174.7-70.7164.6000108.9Y159 M160 R166 M167 L337 Y338 Y341Y159-I163 VanDerWaalsContact O-CG1 3.3Å; Y159-I163 WeakPolarHBondContact O-CG1 3.4Å; Y159-I163 PolarHBondContact O-N 3.39Å; M160-I163 PolarHBondContact O-N 2.97Å; I163-R166 PolarHBondContact O-N 3.46Å; I163-M167 WeakPolarHBondContact O-CB 3.45Å; I163-M167 PolarHBondContact O-N 3.37Å; I163-L337 HydrophobicContact CD1-CB 3.93Å; I163-Y338 HydrophobicContact CD1-CD1 3.97Å; I163-Y338 HydrophobicContact CD1-CD2 4.24Å; I163-Y338 HydrophobicContact CD1-CE1 4Å; I163-Y338 HydrophobicContact CD1-CE2 4.29Å; I163-Y338 HydrophobicContact CD1-CG 4.09Å; I163-Y338 HydrophobicContact CG1-CD1 4.26Å; I163-Y338 HydrophobicContact CG1-CE1 3.83Å; I163-Y338 HydrophobicContact CG2-CD1 4.08Å; I163-Y338 HydrophobicContact CG2-CE1 3.95Å; I163-Y341 HydrophobicContact CG2-CD1 3.77Å; I163-Y341 HydrophobicContact CG2-CD2 4.02Å; I163-Y341 HydrophobicContact CG2-CE1 3.99Å; I163-Y341 HydrophobicContact CG2-CE2 4.23Å; I163-Y341 HydrophobicContact CG2-CG 3.78Å
164S98.6Very high97.1Very high1 Ų115.6 Ų15.61%0.0077%0.071CC..Hα-helixtrans-66.5-43.9-177.4890000114.3R60 M160 S161 R162 M167 L168 Y341R60-S164 PolarHBondContact NH1-O 3.14Å; R60-S164 PolarHBondContact NH1-OG 3.29Å; M160-S164 PolarHBondContact O-N 3.19Å; S161-S164 PolarHBondContact O-N 3.3Å; S161-S164 PolarHBondContact O-OG 3.28Å; R162-S164 PolarHBondContact O-N 3.47Å; S164-M167 WeakPolarHBondContact O-CB 3.43Å; S164-M167 PolarHBondContact O-N 3.33Å; S164-L168 PolarHBondContact O-N 3.3Å; S164-L168 VanDerWaalsContact O-N 3.07Å; S164-Y341 WeakPolarHBondContact CA-OH 3.38Å
165T98.4Very high96.7Very high2 Ų217.7 Ų17.71%0.0128%0.082CC..Hα-helixtrans-68.9-37178.149.30000111L57 R60 L61 S161 R162 L168 M169L57-T165 HydrophobicContact CD2-CG2 4.22Å; R60-T165 HydrophobicContact CB-CG2 3.74Å; L61-T165 HydrophobicContact CD2-CG2 4.34Å; S161-T165 PolarHBondContact O-N 3.1Å; S161-T165 PolarHBondContact O-OG1 3.39Å; S161-T165 VanDerWaalsContact O-OG1 3.1Å; R162-T165 PolarHBondContact O-N 2.96Å; R162-T165 PolarHBondContact O-OG1 3.16Å; T165-L168 PolarHBondContact O-N 3.13Å; T165-M169 WeakPolarHBondContact O-CB 3.36Å; T165-M169 WeakPolarHBondContact O-CE 3.43Å; T165-M169 WeakPolarHBondContact O-CG 3.39Å; T165-M169 PolarHBondContact O-N 3.48Å
166R97.6Very high96.4Very high82 Ų8219.4 Ų19.431%0.3099%0.09SC..Hα-helixtrans-63.6-40172.1-173.9175.2-180100.8-3.6111.7N124 R162 I163 N170N124-R166 PolarHBondContact OD1-NH1 2.9Å; R162-R166 VanDerWaalsContact O-CB 3.3Å; R162-R166 WeakPolarHBondContact O-CB 3.36Å; R162-R166 PolarHBondContact O-N 3.29Å; I163-R166 PolarHBondContact O-N 3.46Å; R166-N170 WeakPolarHBondContact O-CB 3.29Å; R166-N170 PolarHBondContact O-N 2.97Å; R166-N170 PolarHBondContact O-ND2 3.43Å
167M97.9Very high95.5Very high2 Ų221.4 Ų21.41%0.0110%0.1CC..Hα-helixtrans-58.6-52.8175.5-178.162.3-174.800110.9F36 I163 S164 M169 N170 Q171 I191 V241 Y341 F342F36-M167 HydrophobicContact CD2-CE 4.21Å; F36-M167 HydrophobicContact CE2-CE 4.23Å; F36-M167 HydrophobicContact CE2-CG 4.4Å; F36-M167 HydrophobicContact CG-CE 4.4Å; F36-M167 HydrophobicContact CZ-CE 4.44Å; F36-M167 HydrophobicContact CZ-CG 4.1Å; I163-M167 WeakPolarHBondContact O-CB 3.45Å; I163-M167 PolarHBondContact O-N 3.37Å; S164-M167 WeakPolarHBondContact O-CB 3.43Å; S164-M167 PolarHBondContact O-N 3.33Å; M167-M169 PolarHBondContact O-N 2.82Å; M167-N170 PolarHBondContact O-N 2.84Å; M167-Q171 HydrophobicContact CE-CG 3.77Å; M167-Q171 WeakPolarHBondContact O-CG 3.5Å; M167-Q171 PolarHBondContact O-N 3.11Å; M167-Q171 HydrophobicContact SD-CG 4.32Å; M167-I191 HydrophobicContact CE-CD1 3.73Å; M167-I191 HydrophobicContact CE-CG1 3.72Å; M167-V241 HydrophobicContact CE-CG2 3.81Å; M167-V241 HydrophobicContact SD-CG2 4.04Å; M167-Y341 HydrophobicContact CB-CE1 4.31Å; M167-Y341 VanDerWaalsContact CB-OH 3.27Å; M167-Y341 WeakPolarHBondContact CB-OH 3.46Å; M167-Y341 HydrophobicContact CG-CE1 4.27Å; M167-Y341 WeakPolarHBondContact CG-OH 3.28Å; M167-F342 HydrophobicContact CE-CZ 4.34Å
168L98.2Very high94Very high4 Ų423.1 Ų23.12%0.02113%0.131CC..Hα-helixtrans-58.9-48.4178.9-71.8-173.5000113.1L31 F36 F52 L53 E56 L57 R60 S164 T165 N170 Q171 H172L31-L168 HydrophobicContact CD1-CD2 4.01Å; F36-L168 HydrophobicContact CE1-CD2 3.78Å; F36-L168 HydrophobicContact CZ-CD2 3.8Å; F52-L168 HydrophobicContact CE1-CD1 4.39Å; F52-L168 HydrophobicContact CE1-CD2 4.1Å; L53-L168 HydrophobicContact CD2-CB 3.72Å; L53-L168 HydrophobicContact CD2-CD1 3.79Å; L53-L168 HydrophobicContact CD2-CD2 4.1Å; L53-L168 HydrophobicContact CD2-CG 4.08Å; E56-L168 HydrophobicContact CG-CD1 3.85Å; L57-L168 HydrophobicContact CD2-CB 4.09Å; L57-L168 HydrophobicContact CD2-CD1 4Å; R60-L168 VanDerWaalsContact CZ-CD1 3.41Å; S164-L168 PolarHBondContact O-N 3.3Å; S164-L168 VanDerWaalsContact O-N 3.07Å; T165-L168 PolarHBondContact O-N 3.13Å; L168-N170 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 3.1Å; L168-H172 PolarHBondContact O-N 3.23Å; L168-H172 VanDerWaalsContact O-N 3.12Å
169M96.8Very high92.3Very high7 Ų726 Ų263%0.03415%0.151CC..Hα-helixtrans-64.2-40.2179.1-69.8-174.3-71.200112L57 L116 I119 T165 M167 T173L57-M169 HydrophobicContact CD1-CG 4.11Å; L57-M169 HydrophobicContact CD2-CG 4.26Å; L116-M169 HydrophobicContact CB-CG 4.36Å; L116-M169 HydrophobicContact CD1-CG 4.48Å; L116-M169 HydrophobicContact CD2-CG 4.19Å; I119-M169 HydrophobicContact CB-SD 4.1Å; I119-M169 HydrophobicContact CG2-CE 4.19Å; I119-M169 HydrophobicContact CG2-SD 3.66Å; T165-M169 WeakPolarHBondContact O-CB 3.36Å; T165-M169 WeakPolarHBondContact O-CE 3.43Å; T165-M169 WeakPolarHBondContact O-CG 3.39Å; T165-M169 PolarHBondContact O-N 3.48Å; M167-M169 PolarHBondContact O-N 2.82Å; M169-T173 WeakPolarHBondContact O-CB 3.45Å; M169-T173 VanDerWaalsContact O-CG2 3.31Å; M169-T173 WeakPolarHBondContact O-CG2 3.37Å; M169-T173 PolarHBondContact O-N 3.22Å; M169-T173 PolarHBondContact O-OG1 3.32Å
170N94.2Very high90.5Very high30 Ų3031 Ų3116%0.1618%0.182CC..Hα-helixtrans-65.8-41.8177.1-76.4-8.5000111.7R120 R166 M167 L168 H172 T173 L174R120-N170 WeakPolarHBondContact CD-OD1 3.36Å; R166-N170 WeakPolarHBondContact O-CB 3.29Å; R166-N170 PolarHBondContact O-N 2.97Å; R166-N170 PolarHBondContact O-ND2 3.43Å; M167-N170 PolarHBondContact O-N 2.84Å; L168-N170 PolarHBondContact O-N 3.38Å; N170-H172 PolarHBondContact O-N 3.45Å; N170-T173 WeakPolarHBondContact CA-OG1 3.38Å; N170-T173 PolarHBondContact O-N 3.19Å; N170-T173 PolarHBondContact O-OG1 3.43Å; N170-L174 HydrophobicContact CB-CD1 4.37Å; N170-L174 VanDerWaalsContact O-CB 3.23Å; N170-L174 WeakPolarHBondContact O-CB 3.41Å; N170-L174 WeakPolarHBondContact O-CD1 3.39Å; N170-L174 WeakPolarHBondContact O-CG 3.18Å; N170-L174 PolarHBondContact O-N 3.06Å
171Q93.8Very high88.9Confident10 Ų1033.7 Ų33.75%0.04720%0.197CC..Hα-helixtrans-60.2-47.6176.7-70.6-63.466.600111.8F36 M167 L168 I175 I188 G189 S190 I191F36-Q171 HydrophobicContact CD1-CG 3.89Å; F36-Q171 HydrophobicContact CE1-CG 3.99Å; M167-Q171 HydrophobicContact CE-CG 3.77Å; M167-Q171 WeakPolarHBondContact O-CG 3.5Å; M167-Q171 PolarHBondContact O-N 3.11Å; M167-Q171 HydrophobicContact SD-CG 4.32Å; L168-Q171 PolarHBondContact O-N 3.1Å; Q171-I175 WeakPolarHBondContact O-CB 3.47Å; Q171-I175 WeakPolarHBondContact O-CD1 3.46Å; Q171-I175 WeakPolarHBondContact O-CG1 3.31Å; Q171-I175 PolarHBondContact O-N 2.89Å; Q171-I188 PolarHBondContact NE2-O 2.72Å; Q171-I188 PolarHBondContact OE1-O 3.26Å; Q171-G189 VanDerWaalsContact OE1-CA 3.27Å; Q171-S190 PolarHBondContact OE1-OG 3.47Å; Q171-I191 VanDerWaalsContact NE2-CD1 3.34Å
172H95.1Very high87.2Confident2 Ų239.3 Ų39.31%0.00923%0.233CC..Hα-helixtrans-61.9-51.6178.4-171.588.1000112.1S49 L53 F112 T113 L116 L168 N170 L174 I175 F176S49-H172 WeakPolarHBondContact CB-ND1 3.38Å; S49-H172 PolarHBondContact OG-ND1 3.25Å; L53-H172 HydrophobicContact CD1-CB 3.54Å; F112-H172 AromaticContact CD1-NE2 3.7Å; T113-H172 PolarHBondContact OG1-NE2 3.33Å; L116-H172 HydrophobicContact CD1-CB 3.95Å; L168-H172 PolarHBondContact O-N 3.23Å; L168-H172 VanDerWaalsContact O-N 3.12Å; N170-H172 PolarHBondContact O-N 3.45Å; H172-L174 PolarHBondContact O-N 3.29Å; H172-I175 PolarHBondContact O-N 3.25Å; H172-F176 AromaticContact CE1-CD2 3.76Å; H172-F176 AromaticContact CG-CD2 3.95Å; H172-F176 AromaticContact ND1-CD2 3.59Å; H172-F176 AromaticContact ND1-CE2 3.92Å; H172-F176 VanDerWaalsContact O-CD2 3.26Å; H172-F176 WeakPolarHBondContact O-CD2 3.5Å; H172-F176 PolarHBondContact O-N 3.43Å
173T93.3Very high85.5Confident3 Ų341.6 Ų41.62%0.01826%0.256CS..Hα-helixtrans-64.6-42.5-176.852.90000112.1T113 L116 V117 R120 M169 N170 I175 D177T113-T173 HydrophobicContact CG2-CG2 4.34Å; L116-T173 HydrophobicContact CB-CG2 4.14Å; V117-T173 HydrophobicContact CG2-CG2 3.74Å; R120-T173 PolarHBondContact NH1-OG1 2.73Å; R120-T173 VanDerWaalsContact NH1-OG1 3.14Å; M169-T173 WeakPolarHBondContact O-CB 3.45Å; M169-T173 VanDerWaalsContact O-CG2 3.31Å; M169-T173 WeakPolarHBondContact O-CG2 3.37Å; M169-T173 PolarHBondContact O-N 3.22Å; M169-T173 PolarHBondContact O-OG1 3.32Å; N170-T173 WeakPolarHBondContact CA-OG1 3.38Å; N170-T173 PolarHBondContact O-N 3.19Å; N170-T173 PolarHBondContact O-OG1 3.43Å; T173-I175 VanDerWaalsContact C-N 3.3Å; T173-I175 PolarHBondContact O-N 3.45Å; T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.15Å
174L91.1Very high84.4Confident58 Ų5845.7 Ų45.730%0.30428%0.275SS..Hα-helixtrans-69.7-25.9180-68.7168.7000113.5N170 H172N170-L174 HydrophobicContact CB-CD1 4.37Å; N170-L174 VanDerWaalsContact O-CB 3.23Å; N170-L174 WeakPolarHBondContact O-CB 3.41Å; N170-L174 WeakPolarHBondContact O-CD1 3.39Å; N170-L174 WeakPolarHBondContact O-CG 3.18Å; N170-L174 PolarHBondContact O-N 3.06Å; H172-L174 PolarHBondContact O-N 3.29Å
175I90.4Very high83.3Confident44 Ų4450.1 Ų50.123%0.22630%0.304CS..Hα-helixtrans-86.6-38.6178.8-64.2170.2000111.2A44 Q171 H172 T173A44-I175 HydrophobicContact CB-CG2 4.11Å; Q171-I175 WeakPolarHBondContact O-CB 3.47Å; Q171-I175 WeakPolarHBondContact O-CD1 3.46Å; Q171-I175 WeakPolarHBondContact O-CG1 3.31Å; Q171-I175 PolarHBondContact O-N 2.89Å; H172-I175 PolarHBondContact O-N 3.25Å; T173-I175 VanDerWaalsContact C-N 3.3Å; T173-I175 PolarHBondContact O-N 3.45Å
176F90.4Very high82.7Confident37 Ų3758.3 Ų58.316%0.16234%0.34CS..Hα-helixtrans-113.4-11.3-167.1-55.5-64.1000115.8F39 A44 E46 H172 G178F39-F176 HydrophobicContact CE1-CE2 4.1Å; F39-F176 AromaticContact CE1-CZ 3.91Å; F39-F176 HydrophobicContact CE1-CZ 3.91Å; F39-F176 HydrophobicContact CZ-CE2 4.35Å; F39-F176 AromaticContact CZ-CZ 3.97Å; F39-F176 HydrophobicContact CZ-CZ 3.97Å; A44-F176 HydrophobicContact CB-CE1 4.33Å; A44-F176 HydrophobicContact CB-CZ 4.49Å; E46-F176 HydrophobicContact CB-CD1 3.62Å; E46-F176 HydrophobicContact CB-CD2 4.46Å; E46-F176 HydrophobicContact CB-CE1 3.76Å; E46-F176 HydrophobicContact CB-CG 4.01Å; E46-F176 HydrophobicContact CB-CZ 4.27Å; E46-F176 HydrophobicContact CG-CB 4.1Å; E46-F176 HydrophobicContact CG-CD1 3.96Å; E46-F176 HydrophobicContact CG-CD2 4.23Å; E46-F176 HydrophobicContact CG-CE1 4.49Å; E46-F176 HydrophobicContact CG-CG 3.83Å; H172-F176 AromaticContact CE1-CD2 3.76Å; H172-F176 AromaticContact CG-CD2 3.95Å; H172-F176 AromaticContact ND1-CD2 3.59Å; H172-F176 AromaticContact ND1-CE2 3.92Å; H172-F176 VanDerWaalsContact O-CD2 3.26Å; H172-F176 WeakPolarHBondContact O-CD2 3.5Å; H172-F176 PolarHBondContact O-N 3.43Å; F176-G178 PolarHBondContact O-N 2.94Å
177D80.9Confident82.3Confident79 Ų7956.5 Ų56.542%0.42234%0.335SS..SBendtrans-75.411.6179.7-163.534.8000113.4T113 T173 S179T113-D177 HydrophobicContact CG2-CB 4.09Å; T173-D177 WeakPolarHBondContact O-CB 3.38Å; T173-D177 PolarHBondContact O-N 3.15Å; D177-S179 PolarHBondContact O-N 3.03Å
178G67Low81.9Confident77 Ų7757.3 Ų57.379%0.79434%0.339SS*.SBendtrans68.4-0.617800000115.2F176F176-G178 PolarHBondContact O-N 2.94Å
179S62.9Low81.6Confident62 Ų6257.8 Ų57.843%0.43435%0.345SS..  trans-96.888.2176.654.10000110.2D177 N181D177-S179 PolarHBondContact O-N 3.03Å; S179-N181 PolarHBondContact O-N 2.84Å; S179-N181 VanDerWaalsContact O-N 3.07Å
180V60.7Low81.5Confident108 Ų10858.2 Ų58.266%0.65535%0.348SS*.  trans-58.5118.9162.4-176.90000106.1P182V180-P182 WeakPolarHBondContact O-CD 3.45Å
181N64.3Low81.5Confident68 Ų6856.8 Ų56.836%0.36434%0.34SS..  trans-59.5107.7177.8-176.6-10.3000108.3S179 A183 H184S179-N181 PolarHBondContact O-N 2.84Å; S179-N181 VanDerWaalsContact O-N 3.07Å; N181-A183 PolarHBondContact O-N 2.81Å; N181-A183 VanDerWaalsContact O-N 3.14Å; N181-A183 WeakPolarHBondContact OD1-CB 2.88Å; N181-A183 PolarHBondContact OD1-N 2.82Å; N181-A183 VanDerWaalsContact OD1-N 3.11Å; N181-H184 CarbonylContact O-C 3.47Å; N181-H184 PolarHBondContact O-N 2.91Å
182P62Low81.6Confident120 Ų12057.6 Ų57.678%0.77935%0.345SS*.THydrogen-bonded Turntrans-64.4-26-173.4-18.432.1000111.6V180V180-P182 WeakPolarHBondContact O-CD 3.45Å
183A63.2Low81.7Confident71 Ų7160 Ų6059%0.58736%0.361SS*.THydrogen-bonded Turntrans-73.1-27.5178.900000112.6N181N181-A183 PolarHBondContact O-N 2.81Å; N181-A183 VanDerWaalsContact O-N 3.14Å; N181-A183 WeakPolarHBondContact OD1-CB 2.88Å; N181-A183 PolarHBondContact OD1-N 2.82Å; N181-A183 VanDerWaalsContact OD1-N 3.11Å
184H76.4Confident81.8Confident92 Ų9263 Ų6343%0.42638%0.382SS..  trans-140.467.7-174.8-59-69.3000112.1N181 K186 H187N181-H184 CarbonylContact O-C 3.47Å; N181-H184 PolarHBondContact O-N 2.91Å; H184-K186 PolarHBondContact O-N 3.38Å; H184-K186 VanDerWaalsContact O-N 3.11Å; H184-H187 HydrophobicContact CB-CB 4.33Å; H184-H187 AromaticContact CG-CE1 3.52Å; H184-H187 AromaticContact CG-ND1 3.9Å; H184-H187 AromaticContact CG-NE2 3.85Å; H184-H187 AromaticContact ND1-CE1 3.73Å; H184-H187 AromaticContact ND1-NE2 3.78Å; H184-H187 PolarHBondContact O-N 3.1Å
185P75.6Confident82.1Confident94 Ų9460.3 Ų60.361%0.6137%0.368SS*.THydrogen-bonded Turntrans-67.3-14.7-174.327.5-35.9000114
186K84Confident82.4Confident175 Ų17560.2 Ų60.276%0.76137%0.368SS*.THydrogen-bonded Turntrans-90.5-6.9179.4-64.6-177-179.3177.70113.7H184H184-K186 PolarHBondContact O-N 3.38Å; H184-K186 VanDerWaalsContact O-N 3.11Å
187H89.7Confident82.8Confident44 Ų4458.5 Ų58.520%0.20436%0.36CS..  trans-77.3147.2-179.5-70.6-168.6000111.3H184 I191 D192H184-H187 HydrophobicContact CB-CB 4.33Å; H184-H187 AromaticContact CG-CE1 3.52Å; H184-H187 AromaticContact CG-ND1 3.9Å; H184-H187 AromaticContact CG-NE2 3.85Å; H184-H187 AromaticContact ND1-CE1 3.73Å; H184-H187 AromaticContact ND1-NE2 3.78Å; H184-H187 PolarHBondContact O-N 3.1Å; H187-I191 CarbonylContact C-O 3.12Å; H187-I191 WeakPolarHBondContact CA-O 3.4Å; H187-D192 IonicContact NE2-OD2 2.82Å
188I90.9Very high83.6Confident19 Ų1955 Ų5510%0.09734%0.342CS..BIsolated β-bridgetrans-102.291172.6-58.4150.2000107I37 G40 S41 Q171 S190 I191 P193I37-I188 HydrophobicContact CB-CD1 4.24Å; I37-I188 HydrophobicContact CD1-CD1 4.45Å; I37-I188 HydrophobicContact CG1-CD1 3.92Å; I37-I188 HydrophobicContact CG2-CD1 3.86Å; G40-I188 VanDerWaalsContact CA-CG2 3.5Å; S41-I188 WeakPolarHBondContact OG-CD1 3.26Å; S41-I188 WeakPolarHBondContact OG-CG1 3.49Å; Q171-I188 PolarHBondContact NE2-O 2.72Å; Q171-I188 PolarHBondContact OE1-O 3.26Å; I188-S190 PolarHBondContact O-N 3.38Å; I188-I191 PolarHBondContact N-O 3.37Å; I188-I191 PolarHBondContact O-N 3.14Å; I188-I191 VanDerWaalsContact O-N 3.13Å; I188-P193 HydrophobicContact CD1-CB 4.26Å; I188-P193 HydrophobicContact CD1-CG 4.19Å
189G91.8Very high85.1Confident14 Ų1455.3 Ų55.314%0.14432%0.323CS..THydrogen-bonded Turntrans61.6-115.8-164.600000110.8Q171Q171-G189 VanDerWaalsContact OE1-CA 3.27Å
190S92.9Very high86.8Confident15 Ų1553 Ų5311%0.10531%0.306CS..THydrogen-bonded Turntrans-93.8-2.7176.861.50000114.4Q171 I188 P242Q171-S190 PolarHBondContact OE1-OG 3.47Å; I188-S190 PolarHBondContact O-N 3.38Å; S190-P242 WeakPolarHBondContact O-CD 3.28Å
191I96.1Very high88.6Confident0 Ų047.8 Ų47.80%028%0.275CS..BIsolated β-bridgetrans-93.1129.5-178.9-59.4175.3000109.7F36 I37 M167 Q171 H187 I188 V239 V241F36-I191 HydrophobicContact CB-CD1 3.37Å; F36-I191 HydrophobicContact CD2-CD1 4.3Å; F36-I191 HydrophobicContact CG-CD1 4.01Å; I37-I191 HydrophobicContact CD1-CG2 3.93Å; I37-I191 HydrophobicContact CG1-CD1 4.49Å; I37-I191 HydrophobicContact CG1-CG2 3.97Å; M167-I191 HydrophobicContact CE-CD1 3.73Å; M167-I191 HydrophobicContact CE-CG1 3.72Å; Q171-I191 VanDerWaalsContact NE2-CD1 3.34Å; H187-I191 CarbonylContact C-O 3.12Å; H187-I191 WeakPolarHBondContact CA-O 3.4Å; I188-I191 PolarHBondContact N-O 3.37Å; I188-I191 PolarHBondContact O-N 3.14Å; I188-I191 VanDerWaalsContact O-N 3.13Å; I191-V239 HydrophobicContact CG2-CG1 3.93Å; I191-V241 HydrophobicContact CG1-CG2 3.84Å
192D95.9Very high90.2Very high28 Ų2848.3 Ų48.315%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-93.5116.1166.1-173.5-9.8000108.8H187 S194 C195 Y240 P242H187-D192 IonicContact NE2-OD2 2.82Å; D192-S194 PolarHBondContact O-N 2.93Å; D192-S194 VanDerWaalsContact OD1-C 3.31Å; D192-S194 PolarHBondContact OD1-N 3.41Å; D192-C195 HydrophobicContact CB-CB 3.98Å; D192-C195 PolarHBondContact OD1-N 3.44Å; D192-C195 VanDerWaalsContact OD2-CA 3.31Å; D192-C195 WeakPolarHBondContact OD2-CA 3.4Å; D192-Y240 PolarHBondContact N-O 2.67Å; D192-Y240 PolarHBondContact O-N 2.94Å; D192-Y240 VanDerWaalsContact O-N 3.12Å; D192-P242 HydrophobicContact CB-CG 3.6Å
193P95.9Very high91.9Very high52 Ų5247 Ų4734%0.33826%0.26SS..EExtended strand (participates in β ladder)trans-67.8-14.3177.728.9-35.3000113.4I37 I188 V239I37-P193 HydrophobicContact CD1-CB 4.26Å; I188-P193 HydrophobicContact CD1-CB 4.26Å; I188-P193 HydrophobicContact CD1-CG 4.19Å; P193-V239 WeakPolarHBondContact O-CG2 3.24Å
194S95.8Very high93.6Very high67 Ų6743.6 Ų43.647%0.46923%0.232SC..EExtended strand (participates in β ladder)trans-139.752179.5-173.70000110.6D192 D196 H237D192-S194 PolarHBondContact O-N 2.93Å; D192-S194 VanDerWaalsContact OD1-C 3.31Å; D192-S194 PolarHBondContact OD1-N 3.41Å; S194-D196 PolarHBondContact O-N 3.36Å; S194-H237 PolarHBondContact O-CD2 3.39Å
195C97.1Very high94.7Very high1 Ų139.6 Ų39.61%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-59.5115179.7-1740000110.7D192 V197 H237 I238D192-C195 HydrophobicContact CB-CB 3.98Å; D192-C195 PolarHBondContact OD1-N 3.44Å; D192-C195 VanDerWaalsContact OD2-CA 3.31Å; D192-C195 WeakPolarHBondContact OD2-CA 3.4Å; C195-V197 PolarHBondContact O-N 3.42Å; C195-H237 VanDerWaalsContact O-CA 3.27Å; C195-H237 WeakPolarHBondContact O-CA 3.27Å; C195-I238 WeakPolarHBondContact CA-O 3.4Å; C195-I238 WeakPolarHBondContact CB-O 3.26Å; C195-I238 PolarHBondContact N-O 3.06Å; C195-I238 PolarHBondContact O-N 2.82Å; C195-I238 VanDerWaalsContact O-N 3.11Å
196D97.3Very high95.8Very high42 Ų4239.6 Ų39.623%0.22521%0.205CC..EExtended strand (participates in β ladder)trans-74.1107.5169.6-171.8-34000109.3S194 V198 E199 V200 H237S194-D196 PolarHBondContact O-N 3.36Å; D196-V198 VanDerWaalsContact C-N 3.26Å; D196-V198 PolarHBondContact O-N 3.14Å; D196-V198 WeakPolarHBondContact OD1-CB 3.44Å; D196-V198 PolarHBondContact OD1-N 2.75Å; D196-E199 HydrophobicContact CB-CB 4.14Å; D196-E199 HydrophobicContact CB-CG 4.07Å; D196-E199 PolarHBondContact OD1-N 2.73Å; D196-E199 VanDerWaalsContact OD1-N 3.15Å; D196-V200 WeakPolarHBondContact O-CG2 3.33Å; D196-V200 PolarHBondContact O-N 3.49Å; D196-H237 IonicContact OD2-NE2 3.13Å
197V98.2Very high96.4Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-65.4-34.6-175.2177.40000111.4C195 V200 V201 I236 I238 L245 V277 L284 I286C195-V197 PolarHBondContact O-N 3.42Å; V197-V200 PolarHBondContact O-N 3.44Å; V197-V201 VanDerWaalsContact O-CG2 3.31Å; V197-V201 WeakPolarHBondContact O-CG2 3.29Å; V197-V201 PolarHBondContact O-N 3.29Å; V197-V201 VanDerWaalsContact O-N 3.1Å; V197-I236 HydrophobicContact CB-CG2 4.29Å; V197-I236 HydrophobicContact CG2-CG2 4.06Å; V197-I236 PolarHBondContact N-O 3.33Å; V197-I238 HydrophobicContact CG2-CD1 4.47Å; V197-I238 HydrophobicContact CG2-CG1 3.84Å; V197-L245 HydrophobicContact CG1-CD2 4.26Å; V197-V277 HydrophobicContact CB-CG1 4.34Å; V197-V277 HydrophobicContact CG1-CG1 3.67Å; V197-V277 HydrophobicContact CG1-CG2 4.48Å; V197-L284 HydrophobicContact CG1-CD2 4.15Å; V197-L284 HydrophobicContact CG2-CD1 4.35Å; V197-L284 HydrophobicContact CG2-CD2 3.63Å; V197-I286 HydrophobicContact CG1-CD1 3.69Å; V197-I286 HydrophobicContact CG1-CG1 4.2Å
198V98.1Very high96.7Very high5 Ų531.3 Ų31.33%0.0317%0.172CC..Hα-helixtrans-75-38.9-173.9166.90000110.6D196 V201 K202 I224 E226D196-V198 VanDerWaalsContact C-N 3.26Å; D196-V198 PolarHBondContact O-N 3.14Å; D196-V198 WeakPolarHBondContact OD1-CB 3.44Å; D196-V198 PolarHBondContact OD1-N 2.75Å; V198-V201 WeakPolarHBondContact O-CB 3.48Å; V198-V201 PolarHBondContact O-N 2.78Å; V198-K202 HydrophobicContact CG1-CD 4.41Å; V198-K202 WeakPolarHBondContact O-CG 3.47Å; V198-K202 PolarHBondContact O-N 2.87Å; V198-I224 HydrophobicContact CB-CD1 4.4Å; V198-I224 HydrophobicContact CG1-CD1 3.84Å; V198-I224 HydrophobicContact CG2-CD1 4.2Å; V198-E226 HydrophobicContact CG2-CG 3.67Å; V198-E226 WeakPolarHBondContact CG2-OE1 3.47Å
199E97.9Very high97Very high85 Ų8532.4 Ų32.440%0.39718%0.176SC..Hα-helixtrans-62.6-42.9173.4-66.3-57.9115.500111.1D196 V201 K202 D203D196-E199 HydrophobicContact CB-CB 4.14Å; D196-E199 HydrophobicContact CB-CG 4.07Å; D196-E199 PolarHBondContact OD1-N 2.73Å; D196-E199 VanDerWaalsContact OD1-N 3.15Å; E199-V201 VanDerWaalsContact C-N 3.28Å; E199-V201 PolarHBondContact O-N 2.88Å; E199-K202 PolarHBondContact O-N 3Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-K202 IonicContact OE1-NZ 2.73Å; E199-K202 PolarHBondContact OE1-NZ 3.28Å; E199-D203 PolarHBondContact O-N 3.37Å
200V98.5Very high97.2Very high12 Ų1237 Ų377%0.07320%0.195CC..Hα-helixtrans-63-34.5175.6-177.90000112.2D196 V197 A204 P242 L245 L249D196-V200 WeakPolarHBondContact O-CG2 3.33Å; D196-V200 PolarHBondContact O-N 3.49Å; V197-V200 PolarHBondContact O-N 3.44Å; V200-A204 WeakPolarHBondContact O-CB 3.36Å; V200-A204 PolarHBondContact O-N 2.74Å; V200-A204 VanDerWaalsContact O-N 3.1Å; V200-P242 HydrophobicContact CG2-CB 4.22Å; V200-L245 HydrophobicContact CB-CD2 4.03Å; V200-L245 HydrophobicContact CB-CG 4.38Å; V200-L245 HydrophobicContact CG1-CB 4.08Å; V200-L245 HydrophobicContact CG1-CD2 3.92Å; V200-L245 HydrophobicContact CG1-CG 3.73Å; V200-L245 HydrophobicContact CG2-CD2 4.41Å; V200-L249 HydrophobicContact CG1-CD1 4.14Å
201V98.8Very high97.2Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-63.6-45.9172.5169.90000111.4V197 V198 E199 A204 Y205 M222 I224 L249 F253 V275 V277V197-V201 VanDerWaalsContact O-CG2 3.31Å; V197-V201 WeakPolarHBondContact O-CG2 3.29Å; V197-V201 PolarHBondContact O-N 3.29Å; V197-V201 VanDerWaalsContact O-N 3.1Å; V198-V201 WeakPolarHBondContact O-CB 3.48Å; V198-V201 PolarHBondContact O-N 2.78Å; E199-V201 VanDerWaalsContact C-N 3.28Å; E199-V201 PolarHBondContact O-N 2.88Å; V201-A204 PolarHBondContact O-N 3.04Å; V201-Y205 WeakPolarHBondContact O-CB 3.33Å; V201-Y205 PolarHBondContact O-N 3.07Å; V201-M222 HydrophobicContact CG1-CE 4.48Å; V201-M222 HydrophobicContact CG1-SD 3.86Å; V201-I224 HydrophobicContact CB-CD1 4.33Å; V201-I224 HydrophobicContact CG1-CD1 3.91Å; V201-L249 HydrophobicContact CB-CD1 4.39Å; V201-L249 HydrophobicContact CG2-CD1 3.63Å; V201-L249 HydrophobicContact CG2-CD2 4.13Å; V201-F253 HydrophobicContact CG1-CE2 4.17Å; V201-F253 HydrophobicContact CG1-CZ 3.95Å; V201-F253 WeakPolarHBondContact O-CE2 3.45Å; V201-V275 HydrophobicContact CG1-CB 4.49Å; V201-V275 HydrophobicContact CG1-CG1 4.01Å; V201-V275 HydrophobicContact CG1-CG2 4.42Å; V201-V277 HydrophobicContact CG2-CG2 4.42Å
202K98.6Very high97.1Very high78 Ų7838.3 Ų38.334%0.33920%0.201SC..Hα-helixtrans-63.1-46.1178.1-69170.3-173.4166.30111.4V198 E199 A204 Y205 E206 M222V198-K202 HydrophobicContact CG1-CD 4.41Å; V198-K202 WeakPolarHBondContact O-CG 3.47Å; V198-K202 PolarHBondContact O-N 2.87Å; E199-K202 PolarHBondContact O-N 3Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-K202 IonicContact OE1-NZ 2.73Å; E199-K202 PolarHBondContact OE1-NZ 3.28Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 3.38Å; K202-Y205 WeakPolarHBondContact O-CB 3.45Å; K202-Y205 PolarHBondContact O-N 3.06Å; K202-Y205 VanDerWaalsContact O-N 3.15Å; K202-E206 WeakPolarHBondContact O-CG 3.15Å; K202-E206 PolarHBondContact O-N 2.92Å; K202-M222 HydrophobicContact CG-CE 4.13Å
203D98.3Very high97.1Very high92 Ų9240.6 Ų40.649%0.49221%0.211SC..Hα-helixtrans-59.4-44.9178.8-73.6-13.1000112.2E199 Y205 T207 Y246E199-D203 PolarHBondContact O-N 3.37Å; D203-Y205 VanDerWaalsContact C-N 3.34Å; D203-T207 PolarHBondContact O-N 3.32Å; D203-T207 VanDerWaalsContact O-N 3.14Å; D203-T207 PolarHBondContact O-OG1 2.96Å; D203-Y246 HydrophobicContact CB-CD2 4.28Å; D203-Y246 HydrophobicContact CB-CE2 4.22Å
204A98.5Very high96.9Very high0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-66.5-37.3177.300000111.9V200 V201 K202 S208 Y246 L249 F250 F253V200-A204 WeakPolarHBondContact O-CB 3.36Å; V200-A204 PolarHBondContact O-N 2.74Å; V200-A204 VanDerWaalsContact O-N 3.1Å; V201-A204 PolarHBondContact O-N 3.04Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 3.38Å; A204-S208 WeakPolarHBondContact O-CB 3.31Å; A204-S208 PolarHBondContact O-N 3.4Å; A204-S208 VanDerWaalsContact O-N 3.11Å; A204-S208 PolarHBondContact O-OG 3.45Å; A204-Y246 HydrophobicContact CB-CD2 3.9Å; A204-Y246 HydrophobicContact CB-CE2 4Å; A204-L249 HydrophobicContact CB-CB 3.6Å; A204-F250 HydrophobicContact CB-CB 4.37Å; A204-F253 HydrophobicContact CB-CD2 4.08Å; A204-F253 HydrophobicContact CB-CE2 4.25Å
205Y98.7Very high96.6Very high8 Ų849 Ų493%0.03123%0.232CC..Hα-helixtrans-64.2-53.4175171.1-102000111.2V201 K202 D203 T207 S208 K209 P220 D221 M222 F253 M257V201-Y205 WeakPolarHBondContact O-CB 3.33Å; V201-Y205 PolarHBondContact O-N 3.07Å; K202-Y205 WeakPolarHBondContact O-CB 3.45Å; K202-Y205 PolarHBondContact O-N 3.06Å; K202-Y205 VanDerWaalsContact O-N 3.15Å; D203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-T207 VanDerWaalsContact C-N 3.3Å; Y205-T207 PolarHBondContact O-N 3.38Å; Y205-S208 CarbonylContact O-C 3.2Å; Y205-S208 PolarHBondContact O-N 2.81Å; Y205-S208 VanDerWaalsContact O-N 3.11Å; Y205-K209 HydrophobicContact CE1-CB 4.48Å; Y205-K209 HydrophobicContact CE1-CD 3.88Å; Y205-K209 VanDerWaalsContact O-CB 3.28Å; Y205-K209 WeakPolarHBondContact O-CB 3.26Å; Y205-K209 PolarHBondContact O-N 3.39Å; Y205-P220 PolarHBondContact OH-O 3.19Å; Y205-D221 VanDerWaalsContact OH-CA 3.26Å; Y205-D221 WeakPolarHBondContact OH-CA 3.37Å; Y205-M222 HydrophobicContact CD1-CB 4.17Å; Y205-M222 HydrophobicContact CD1-CE 4.1Å; Y205-M222 HydrophobicContact CD1-SD 4.44Å; Y205-M222 HydrophobicContact CD2-CB 3.71Å; Y205-M222 HydrophobicContact CD2-CG 4.35Å; Y205-M222 HydrophobicContact CD2-SD 4.12Å; Y205-M222 HydrophobicContact CE1-CB 4.01Å; Y205-M222 HydrophobicContact CE2-CB 3.55Å; Y205-M222 HydrophobicContact CG-CB 4.03Å; Y205-M222 HydrophobicContact CG-CE 4.09Å; Y205-M222 HydrophobicContact CG-SD 3.87Å; Y205-M222 PolarHBondContact OH-N 3.13Å; Y205-F253 AromaticContact CD2-CD1 3.97Å; Y205-F253 HydrophobicContact CD2-CD1 3.97Å; Y205-F253 AromaticContact CD2-CE1 3.79Å; Y205-F253 HydrophobicContact CD2-CE1 3.79Å; Y205-F253 HydrophobicContact CD2-CZ 4.26Å; Y205-F253 HydrophobicContact CG-CE1 4.41Å; Y205-F253 HydrophobicContact CG-CZ 4.45Å; Y205-M257 HydrophobicContact CD2-CE 3.4Å; Y205-M257 HydrophobicContact CE2-CE 3.27Å; Y205-M257 HydrophobicContact CG-CE 4.4Å
206E98.4Very high96.3Very high94 Ų9451.3 Ų51.344%0.43924%0.241SC..Hα-helixtrans-59.8-41-177.4-70.7-56.1150.200111.7K202 K209 M210K202-E206 WeakPolarHBondContact O-CG 3.15Å; K202-E206 PolarHBondContact O-N 2.92Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.24Å; E206-M210 WeakPolarHBondContact O-CG 3.23Å; E206-M210 PolarHBondContact O-N 3.12Å
207T96.6Very high96.1Very high45 Ų4556.8 Ų56.828%0.27627%0.27SS..Hα-helixtrans-67.9-39.3176.9-51.70000112.4D203 Y205 K209 M210 L211 Y246 F250D203-T207 PolarHBondContact O-N 3.32Å; D203-T207 VanDerWaalsContact O-N 3.14Å; D203-T207 PolarHBondContact O-OG1 2.96Å; Y205-T207 VanDerWaalsContact C-N 3.3Å; Y205-T207 PolarHBondContact O-N 3.38Å; T207-K209 VanDerWaalsContact C-N 3.34Å; T207-M210 HydrophobicContact CG2-CE 4.43Å; T207-L211 WeakPolarHBondContact O-CG 3.43Å; T207-L211 PolarHBondContact O-N 3.44Å; T207-Y246 WeakPolarHBondContact CB-OH 3.33Å; T207-Y246 VanDerWaalsContact CG2-OH 3.29Å; T207-Y246 WeakPolarHBondContact CG2-OH 2.93Å; T207-Y246 PolarHBondContact OG1-OH 2.83Å; T207-F250 HydrophobicContact CG2-CD2 4.37Å; T207-F250 HydrophobicContact CG2-CE2 3.89Å
208S96.6Very high96Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-67.5-37.1174.9-56.60000111.7A204 Y205 L211 C212 F250 F253A204-S208 WeakPolarHBondContact O-CB 3.31Å; A204-S208 PolarHBondContact O-N 3.4Å; A204-S208 VanDerWaalsContact O-N 3.11Å; A204-S208 PolarHBondContact O-OG 3.45Å; Y205-S208 CarbonylContact O-C 3.2Å; Y205-S208 PolarHBondContact O-N 2.81Å; Y205-S208 VanDerWaalsContact O-N 3.11Å; S208-L211 PolarHBondContact O-N 3.01Å; S208-C212 VanDerWaalsContact O-CB 3.31Å; S208-C212 WeakPolarHBondContact O-CB 3.47Å; S208-C212 PolarHBondContact O-N 2.75Å; S208-F250 VanDerWaalsContact OG-CD2 3.24Å; S208-F250 WeakPolarHBondContact OG-CD2 3.28Å; S208-F250 PolarHBondContact OG-O 2.8Å; S208-F253 WeakPolarHBondContact OG-CB 3.46Å
209K97.3Very high95.9Very high42 Ų4260.4 Ų60.418%0.18329%0.292CS..Hα-helixtrans-61.1-50.9176.9-174.5-177.3179.7162.20110.5Y205 E206 T207 L211 C212 E213 S219 M257Y205-K209 HydrophobicContact CE1-CB 4.48Å; Y205-K209 HydrophobicContact CE1-CD 3.88Å; Y205-K209 VanDerWaalsContact O-CB 3.28Å; Y205-K209 WeakPolarHBondContact O-CB 3.26Å; Y205-K209 PolarHBondContact O-N 3.39Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.24Å; T207-K209 VanDerWaalsContact C-N 3.34Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.08Å; K209-C212 WeakPolarHBondContact O-CB 3.42Å; K209-C212 PolarHBondContact O-N 3.48Å; K209-C212 VanDerWaalsContact O-N 3.09Å; K209-E213 WeakPolarHBondContact CE-OE1 3.35Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 WeakPolarHBondContact O-CG 3.24Å; K209-E213 PolarHBondContact O-N 3.11Å; K209-S219 WeakPolarHBondContact CE-OG 3.35Å; K209-S219 VanDerWaalsContact CG-OG 3.25Å; K209-S219 WeakPolarHBondContact CG-OG 3.5Å; K209-M257 HydrophobicContact CB-CE 3.95Å
210M96.4Very high95.9Very high112 Ų11256.4 Ų56.455%0.55227%0.274SS*.Hα-helixtrans-55.4-44.1176.1-73.4-172.2-70.600112.2E206 T207 Q214E206-M210 WeakPolarHBondContact O-CG 3.23Å; E206-M210 PolarHBondContact O-N 3.12Å; T207-M210 HydrophobicContact CG2-CE 4.43Å; M210-Q214 VanDerWaalsContact O-CB 3.32Å; M210-Q214 WeakPolarHBondContact O-CB 3.37Å; M210-Q214 PolarHBondContact O-N 3.32Å
211L92.7Very high95.9Very high42 Ų4260.9 Ų60.922%0.2230%0.297CS..Hα-helixtrans-67.9-38.5177.1-70.2174.2000112.8T207 S208 K209 Y215 F250 L325T207-L211 WeakPolarHBondContact O-CG 3.43Å; T207-L211 PolarHBondContact O-N 3.44Å; S208-L211 PolarHBondContact O-N 3.01Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.08Å; L211-Y215 PolarHBondContact O-N 3.41Å; L211-F250 HydrophobicContact CD1-CE2 3.66Å; L211-F250 HydrophobicContact CD1-CZ 3.45Å; L211-F250 VanDerWaalsContact CD1-CZ 3.45Å; L211-L325 HydrophobicContact CB-CD1 4.06Å
212C93.9Very high95.9Very high0 Ų062.9 Ų62.90%031%0.307CS..Hα-helixtrans-64.2-47.5176.9-173.50000110.8S208 K209 Q214 Y215 Y216 T218 M257S208-C212 VanDerWaalsContact O-CB 3.31Å; S208-C212 WeakPolarHBondContact O-CB 3.47Å; S208-C212 PolarHBondContact O-N 2.75Å; K209-C212 WeakPolarHBondContact O-CB 3.42Å; K209-C212 PolarHBondContact O-N 3.48Å; K209-C212 VanDerWaalsContact O-N 3.09Å; C212-Q214 PolarHBondContact O-N 2.75Å; C212-Y215 PolarHBondContact O-N 2.71Å; C212-Y215 VanDerWaalsContact O-N 3.15Å; C212-Y216 PolarHBondContact O-N 3.29Å; C212-T218 PolarHBondContact SG-O 3.11Å; C212-T218 VanDerWaalsContact SG-O 3.38Å; C212-M257 HydrophobicContact CB-CB 4.29Å; C212-M257 HydrophobicContact CB-SD 3.85Å
213E94.8Very high95.9Very high76 Ų7662.8 Ų62.836%0.35531%0.308SS..Hα-helixtrans-65-37.9177.5-69.9174.7173.200112K209 Y215 L217 S219K209-E213 WeakPolarHBondContact CE-OE1 3.35Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 WeakPolarHBondContact O-CG 3.24Å; K209-E213 PolarHBondContact O-N 3.11Å; E213-Y215 PolarHBondContact O-N 2.75Å; E213-L217 WeakPolarHBondContact O-CA 3.39Å; E213-L217 PolarHBondContact O-N 2.76Å; E213-S219 PolarHBondContact OE1-OG 3.27Å
214Q93Very high95.9Very high133 Ų13360.9 Ų60.962%0.62130%0.297SS*.Hα-helixtrans-61-33.7174.7-175.7178.9-5.500112.4M210 C212M210-Q214 VanDerWaalsContact O-CB 3.32Å; M210-Q214 WeakPolarHBondContact O-CB 3.37Å; M210-Q214 PolarHBondContact O-N 3.32Å; C212-Q214 PolarHBondContact O-N 2.75Å
215Y89.3Confident95.9Very high162 Ų16267.1 Ų67.164%0.63532%0.324SS*.Hα-helixtrans-93.9-42.7-175.8-170.1-94.5000113.6L211 C212 E213L211-Y215 PolarHBondContact O-N 3.41Å; C212-Y215 PolarHBondContact O-N 2.71Å; C212-Y215 VanDerWaalsContact O-N 3.15Å; E213-Y215 PolarHBondContact O-N 2.75Å
216Y91.1Very high95.8Very high49 Ų4971 Ų7119%0.19234%0.343CS..Hα-helixtrans-107.8-3.5-174.6-63.7-73000114.1C212 T218 R258 V261 E262 L325C212-Y216 PolarHBondContact O-N 3.29Å; Y216-T218 PolarHBondContact O-N 3.27Å; Y216-T218 VanDerWaalsContact O-N 3.1Å; Y216-R258 WeakPolarHBondContact OH-CG 3.42Å; Y216-V261 HydrophobicContact CD1-CG1 3.72Å; Y216-V261 HydrophobicContact CD2-CB 4.44Å; Y216-V261 HydrophobicContact CD2-CG1 4.18Å; Y216-V261 HydrophobicContact CE1-CG1 4.32Å; Y216-V261 HydrophobicContact CG-CB 4.4Å; Y216-V261 HydrophobicContact CG-CG1 3.67Å; Y216-E262 HydrophobicContact CE1-CG 4.2Å; Y216-E262 PolarHBondContact OH-OE1 3.23Å; Y216-L325 HydrophobicContact CD2-CD2 4.16Å; Y216-L325 HydrophobicContact CE2-CD2 3.33Å
217L93.1Very high95.7Very high158 Ų15869.6 Ų69.683%0.82734%0.341SS*.SBendtrans61.411.8-175.6-50.7175.8000114.6E213E213-L217 WeakPolarHBondContact O-CA 3.39Å; E213-L217 PolarHBondContact O-N 2.76Å
218T95.1Very high95.7Very high64 Ų6468.3 Ų68.339%0.39333%0.332SS..  trans-157163.5178.2-170.70000109.9C212 Y216 V261 L270C212-T218 PolarHBondContact SG-O 3.11Å; C212-T218 VanDerWaalsContact SG-O 3.38Å; Y216-T218 PolarHBondContact O-N 3.27Å; Y216-T218 VanDerWaalsContact O-N 3.1Å; T218-V261 HydrophobicContact CG2-CG1 4.26Å; T218-V261 HydrophobicContact CG2-CG2 4.47Å; T218-L270 HydrophobicContact CG2-CD1 3.92Å
219S97.1Very high95.5Very high16 Ų1672.3 Ų72.311%0.11236%0.36CS..  trans-153.2152176.565.20000111.2K209 E213K209-S219 WeakPolarHBondContact CE-OG 3.35Å; K209-S219 VanDerWaalsContact CG-OG 3.25Å; K209-S219 WeakPolarHBondContact CG-OG 3.5Å; E213-S219 PolarHBondContact OE1-OG 3.27Å
220P97.9Very high95.2Very high1 Ų177.2 Ų77.21%0.00638%0.382CS..  trans-75.814417230.9-33.9000111.6Y205 M257 T260 L270 P271 I273Y205-P220 PolarHBondContact OH-O 3.19Å; P220-M257 HydrophobicContact CG-CB 4.29Å; P220-M257 HydrophobicContact CG-CG 3.83Å; P220-T260 HydrophobicContact CB-CG2 4.13Å; P220-T260 HydrophobicContact CG-CG2 4.36Å; P220-L270 HydrophobicContact CB-CB 4.15Å; P220-P271 WeakPolarHBondContact CB-O 3.13Å; P220-I273 HydrophobicContact CB-CG1 4.29Å; P220-I273 HydrophobicContact CG-CD1 3.69Å; P220-I273 HydrophobicContact CG-CG1 3.96Å
221D98.3Very high95Very high107 Ų10774.5 Ų74.557%0.57237%0.374SS*.  trans-66.2164.1170.2-70.6-38.9000112.2Y205 P272 I273Y205-D221 VanDerWaalsContact OH-CA 3.26Å; Y205-D221 WeakPolarHBondContact OH-CA 3.37Å; D221-P272 HydrophobicContact CB-CB 4.27Å; D221-P272 CarbonylContact O-C 3.45Å; D221-P272 WeakPolarHBondContact O-CA 3.18Å; D221-P272 WeakPolarHBondContact O-CB 3.46Å; D221-I273 PolarHBondContact O-N 3.29Å
222M98.4Very high95Very high42 Ų4277.6 Ų77.621%0.20740%0.396CS..EExtended strand (participates in β ladder)trans-111.5132173.3-179.7179.965.500111.9V201 K202 Y205 F253 I273 V275V201-M222 HydrophobicContact CG1-CE 4.48Å; V201-M222 HydrophobicContact CG1-SD 3.86Å; K202-M222 HydrophobicContact CG-CE 4.13Å; Y205-M222 HydrophobicContact CD1-CB 4.17Å; Y205-M222 HydrophobicContact CD1-CE 4.1Å; Y205-M222 HydrophobicContact CD1-SD 4.44Å; Y205-M222 HydrophobicContact CD2-CB 3.71Å; Y205-M222 HydrophobicContact CD2-CG 4.35Å; Y205-M222 HydrophobicContact CD2-SD 4.12Å; Y205-M222 HydrophobicContact CE1-CB 4.01Å; Y205-M222 HydrophobicContact CE2-CB 3.55Å; Y205-M222 HydrophobicContact CG-CB 4.03Å; Y205-M222 HydrophobicContact CG-CE 4.09Å; Y205-M222 HydrophobicContact CG-SD 3.87Å; Y205-M222 PolarHBondContact OH-N 3.13Å; M222-F253 HydrophobicContact SD-CE1 4.05Å; M222-F253 HydrophobicContact SD-CZ 3.66Å; M222-I273 WeakPolarHBondContact CA-O 3.42Å; M222-V275 HydrophobicContact CG-CG2 4.16Å; M222-V275 HydrophobicContact SD-CG2 4.01Å
223E98.6Very high94.8Very high76 Ų7681.6 Ų81.636%0.35544%0.437SS..EExtended strand (participates in β ladder)trans-107.1117.4165.5-71.4177.8-161.500109.6P272 I273 K274 V275E223-P272 HydrophobicContact CG-CB 4.1Å; E223-P272 HydrophobicContact CG-CG 4.1Å; E223-P272 VanDerWaalsContact OE1-CG 3.23Å; E223-P272 WeakPolarHBondContact OE1-CG 3.35Å; E223-I273 PolarHBondContact N-O 3.08Å; E223-K274 HydrophobicContact CB-CG 4.37Å; E223-K274 CarbonylContact O-C 3.6Å; E223-K274 WeakPolarHBondContact O-CA 3.16Å; E223-K274 IonicContact OE1-NZ 3.71Å; E223-K274 PolarHBondContact OE1-NZ 3.2Å; E223-K274 VanDerWaalsContact OE2-CE 3.26Å; E223-K274 WeakPolarHBondContact OE2-CE 3.45Å; E223-K274 IonicContact OE2-NZ 2.68Å; E223-K274 PolarHBondContact OE2-NZ 3.09Å; E223-V275 PolarHBondContact O-N 3.3Å
224I98.3Very high94.7Very high52 Ų5283.8 Ų83.827%0.26745%0.448SS..EExtended strand (participates in β ladder)trans-106.7139.3176.7-165.6167.8000112.2V198 V201 V275 V277V198-I224 HydrophobicContact CB-CD1 4.4Å; V198-I224 HydrophobicContact CG1-CD1 3.84Å; V198-I224 HydrophobicContact CG2-CD1 4.2Å; V201-I224 HydrophobicContact CB-CD1 4.33Å; V201-I224 HydrophobicContact CG1-CD1 3.91Å; I224-V275 CarbonylContact C-O 3.49Å; I224-V275 WeakPolarHBondContact CA-O 3.42Å; I224-V275 HydrophobicContact CG1-CB 4.3Å; I224-V275 HydrophobicContact CG1-CG1 4.46Å; I224-V277 HydrophobicContact CD1-CG2 4.34Å
225K97.6Very high94.8Very high130 Ų13080.4 Ų80.457%0.56544%0.437SS*.EExtended strand (participates in β ladder)trans-132.7131.9172.3-66.7-171.8178.5-173.20111V275 R276 V277K225-V275 PolarHBondContact N-O 3.11Å; K225-R276 CarbonylContact O-C 3.55Å; K225-R276 VanDerWaalsContact O-CA 3.29Å; K225-R276 WeakPolarHBondContact O-CA 3.22Å; K225-V277 PolarHBondContact O-N 2.77Å
226E97.1Very high95.2Very high89 Ų8972.7 Ų72.742%0.41641%0.407SS..EExtended strand (participates in β ladder)trans-106.6140.7178.7-65.7174.7-121.300111.3V198 I236 V277V198-E226 HydrophobicContact CG2-CG 3.67Å; V198-E226 WeakPolarHBondContact CG2-OE1 3.47Å; E226-I236 HydrophobicContact CB-CD1 4.16Å; E226-I236 HydrophobicContact CG-CD1 4.47Å; E226-V277 CarbonylContact C-O 3.57Å; E226-V277 WeakPolarHBondContact CA-O 3.31Å
227V96.3Very high95.5Very high66 Ų6674 Ų7440%0.442%0.415SS..EExtended strand (participates in β ladder)trans-134.793.1174.1-175.60000108.5S229 V277 S278 L279V227-S229 PolarHBondContact O-N 2.97Å; V227-V277 PolarHBondContact N-O 3.17Å; V227-S278 CarbonylContact O-C 3.37Å; V227-S278 WeakPolarHBondContact O-CA 3.49Å; V227-L279 PolarHBondContact O-N 2.77Å
228N96.4Very high95.7Very high17 Ų1766.9 Ų66.99%0.09138%0.377CS..EExtended strand (participates in β ladder)trans-93.593.7175.5-168.1-18.8000109.9K230 S231 P232 Q234 I236N228-K230 VanDerWaalsContact C-N 3.27Å; N228-K230 PolarHBondContact O-N 3.12Å; N228-K230 PolarHBondContact OD1-N 2.95Å; N228-S231 WeakPolarHBondContact CB-O 3.21Å; N228-S231 VanDerWaalsContact CG-O 3.23Å; N228-S231 PolarHBondContact ND2-O 3.27Å; N228-S231 CarbonylContact O-C 3.6Å; N228-S231 PolarHBondContact OD1-N 3.32Å; N228-P232 VanDerWaalsContact O-CA 3.3Å; N228-P232 WeakPolarHBondContact O-CA 3.3Å; N228-Q234 PolarHBondContact ND2-O 3.47Å; N228-I236 HydrophobicContact CB-CD1 4.36Å; N228-I236 HydrophobicContact CB-CG1 3.88Å
229S93.7Very high95.8Very high85 Ų8565.3 Ų65.359%0.59437%0.367SS*.SBendtrans-72.4-22.6-179.6-59.20000112.5V227 L279V227-S229 PolarHBondContact O-N 2.97Å; S229-L279 WeakPolarHBondContact CB-O 3.48Å; S229-L279 PolarHBondContact N-O 3.33Å
230K90.7Very high95.9Very high145 Ų14564.6 Ų64.663%0.6336%0.362SS*.SBendtrans-75.3-42.3178.1-172.8178.4-179.91790111.7N228N228-K230 VanDerWaalsContact C-N 3.27Å; N228-K230 PolarHBondContact O-N 3.12Å; N228-K230 PolarHBondContact OD1-N 2.95Å
231S92Very high95.9Very high55 Ų5564.5 Ų64.539%0.38536%0.362SS..SBendtrans-142.386.5179.9-60.50000110.1N228 G233 Q234N228-S231 WeakPolarHBondContact CB-O 3.21Å; N228-S231 VanDerWaalsContact CG-O 3.23Å; N228-S231 PolarHBondContact ND2-O 3.27Å; N228-S231 CarbonylContact O-C 3.6Å; N228-S231 PolarHBondContact OD1-N 3.32Å; S231-G233 PolarHBondContact O-N 3.28Å; S231-Q234 WeakPolarHBondContact O-CB 3.26Å; S231-Q234 PolarHBondContact O-N 3.43Å; S231-Q234 VanDerWaalsContact O-N 3.12Å
232P92.7Very high95.8Very high107 Ų10760.5 Ų60.570%0.69534%0.342SS*.THydrogen-bonded Turntrans-54.6132.5-177.6-27.935.8000112.9N228 Q234N228-P232 VanDerWaalsContact O-CA 3.3Å; N228-P232 WeakPolarHBondContact O-CA 3.3Å; P232-Q234 VanDerWaalsContact C-N 3.27Å; P232-Q234 PolarHBondContact O-N 3.25Å
233G89.2Confident95.7Very high84 Ų8461.9 Ų61.987%0.86636%0.356SS*.THydrogen-bonded Turntrans80.2-4.3-18000000115.6S231S231-G233 PolarHBondContact O-N 3.28Å
234Q93.8Very high95.7Very high122 Ų12259.1 Ų59.157%0.5734%0.342SS*.SBendtrans-92.8145.8173.6-64.7-66.2-32.900111.1N228 S231 P232N228-Q234 PolarHBondContact ND2-O 3.47Å; S231-Q234 WeakPolarHBondContact O-CB 3.26Å; S231-Q234 PolarHBondContact O-N 3.43Å; S231-Q234 VanDerWaalsContact O-N 3.12Å; P232-Q234 VanDerWaalsContact C-N 3.27Å; P232-Q234 PolarHBondContact O-N 3.25Å
235P95.1Very high95.8Very high62 Ų6256.6 Ų56.640%0.40333%0.33SS..  trans-62.1149.4177.4-13.725.3000111.9H237P235-H237 PolarHBondContact O-N 3.13Å; P235-H237 PolarHBondContact O-ND1 3.19Å
236I97.5Very high95.8Very high0 Ų053.7 Ų53.70%032%0.315CS..  trans-85.4107.7-175.4-65.1173.7000110.2V197 E226 N228 V277 L279 L284V197-I236 HydrophobicContact CB-CG2 4.29Å; V197-I236 HydrophobicContact CG2-CG2 4.06Å; V197-I236 PolarHBondContact N-O 3.33Å; E226-I236 HydrophobicContact CB-CD1 4.16Å; E226-I236 HydrophobicContact CG-CD1 4.47Å; N228-I236 HydrophobicContact CB-CD1 4.36Å; N228-I236 HydrophobicContact CB-CG1 3.88Å; I236-V277 HydrophobicContact CB-CG1 4.42Å; I236-V277 HydrophobicContact CD1-CB 4.15Å; I236-V277 HydrophobicContact CD1-CG1 3.7Å; I236-V277 HydrophobicContact CG2-CG1 4.14Å; I236-L279 HydrophobicContact CD1-CB 4.25Å; I236-L279 HydrophobicContact CG1-CB 4.18Å; I236-L279 HydrophobicContact CG2-CB 3.87Å; I236-L279 HydrophobicContact CG2-CD2 4.22Å; I236-L279 HydrophobicContact CG2-CG 4.49Å; I236-L284 HydrophobicContact CG2-CD1 3.43Å; I236-L284 VanDerWaalsContact CG2-CD1 3.43Å
237H96.6Very high95.8Very high77 Ų7751.9 Ų51.936%0.35631%0.307SS..EExtended strand (participates in β ladder)trans-115.2140.3175.7-59.291.2000111.5S194 C195 D196 P235S194-H237 PolarHBondContact O-CD2 3.39Å; C195-H237 VanDerWaalsContact O-CA 3.27Å; C195-H237 WeakPolarHBondContact O-CA 3.27Å; D196-H237 IonicContact OD2-NE2 3.13Å; P235-H237 PolarHBondContact O-N 3.13Å; P235-H237 PolarHBondContact O-ND1 3.19Å
238I96.8Very high95.9Very high8 Ų848.8 Ų48.84%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-136.4162.6171.160.7156.7000111.1C195 V197 Y240 L279 L284 L362C195-I238 WeakPolarHBondContact CA-O 3.4Å; C195-I238 WeakPolarHBondContact CB-O 3.26Å; C195-I238 PolarHBondContact N-O 3.06Å; C195-I238 PolarHBondContact O-N 2.82Å; C195-I238 VanDerWaalsContact O-N 3.11Å; V197-I238 HydrophobicContact CG2-CD1 4.47Å; V197-I238 HydrophobicContact CG2-CG1 3.84Å; I238-Y240 HydrophobicContact CD1-CD2 3.87Å; I238-Y240 HydrophobicContact CD1-CG 3.87Å; I238-Y240 PolarHBondContact O-N 3.36Å; I238-L279 HydrophobicContact CG2-CD1 4.09Å; I238-L284 HydrophobicContact CD1-CD2 3.39Å; I238-L284 HydrophobicContact CG1-CD2 3.93Å; I238-L284 HydrophobicContact CG2-CB 4.37Å; I238-L284 HydrophobicContact CG2-CD1 4.5Å; I238-L284 HydrophobicContact CG2-CD2 4.06Å; I238-L362 HydrophobicContact CD1-CD1 4.25Å
239V97.6Very high96Very high30 Ų3048 Ų4818%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-75.3116.8163.6167.90000107.9M33 I37 I191 P193M33-V239 HydrophobicContact CB-CG1 4.15Å; M33-V239 HydrophobicContact SD-CG1 4.24Å; I37-V239 HydrophobicContact CD1-CB 4.27Å; I37-V239 HydrophobicContact CD1-CG1 3.31Å; I37-V239 HydrophobicContact CD1-CG2 3.95Å; I37-V239 HydrophobicContact CG1-CG1 4.45Å; I191-V239 HydrophobicContact CG2-CG1 3.93Å; P193-V239 WeakPolarHBondContact O-CG2 3.24Å
240Y98.3Very high96.2Very high1 Ų145.2 Ų45.20%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-155.1174177.3-147.4-111.3000113.7M33 D192 I238 P242 H244 L245 M248 F342 L362M33-Y240 HydrophobicContact CE-CD2 3.54Å; M33-Y240 HydrophobicContact CE-CE2 3.89Å; M33-Y240 HydrophobicContact CE-CG 4.01Å; M33-Y240 HydrophobicContact SD-CD2 3.93Å; M33-Y240 HydrophobicContact SD-CE2 4.37Å; D192-Y240 PolarHBondContact N-O 2.67Å; D192-Y240 PolarHBondContact O-N 2.94Å; D192-Y240 VanDerWaalsContact O-N 3.12Å; I238-Y240 HydrophobicContact CD1-CD2 3.87Å; I238-Y240 HydrophobicContact CD1-CG 3.87Å; I238-Y240 PolarHBondContact O-N 3.36Å; Y240-P242 WeakPolarHBondContact O-CD 3.34Å; Y240-H244 HydrophobicContact CE1-CB 4.12Å; Y240-L245 HydrophobicContact CD1-CB 3.88Å; Y240-L245 HydrophobicContact CE1-CB 3.99Å; Y240-M248 HydrophobicContact CE1-CE 4.42Å; Y240-F342 HydrophobicContact CE2-CD2 4.39Å; Y240-L362 HydrophobicContact CD1-CD1 4.34Å; Y240-L362 HydrophobicContact CD2-CD1 4.3Å; Y240-L362 HydrophobicContact CE1-CD1 3.97Å; Y240-L362 HydrophobicContact CE2-CD1 3.94Å; Y240-L362 HydrophobicContact CE2-CD2 4.02Å; Y240-L362 HydrophobicContact CE2-CG 4.39Å; Y240-L362 VanDerWaalsContact OH-CD2 3.29Å; Y240-L362 WeakPolarHBondContact OH-CD2 3.45Å
241V98.1Very high96.5Very high0 Ų039.5 Ų39.50%024%0.237CC..  trans-94.4104.1167.9178.40000107.8M33 M167 I191 S243 H244 L245 F342M33-V241 HydrophobicContact CE-CG2 3.91Å; M167-V241 HydrophobicContact CE-CG2 3.81Å; M167-V241 HydrophobicContact SD-CG2 4.04Å; I191-V241 HydrophobicContact CG1-CG2 3.84Å; V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 WeakPolarHBondContact CG1-OG 3.24Å; V241-S243 PolarHBondContact O-N 2.73Å; V241-H244 HydrophobicContact CB-CB 4.18Å; V241-H244 HydrophobicContact CG1-CB 4.24Å; V241-H244 VanDerWaalsContact CG1-CD2 3.49Å; V241-H244 WeakPolarHBondContact CG1-CD2 3.34Å; V241-H244 WeakPolarHBondContact O-CB 3.46Å; V241-H244 PolarHBondContact O-N 3.08Å; V241-L245 PolarHBondContact O-N 3.15Å; V241-F342 HydrophobicContact CG2-CE2 4.33Å
242P97.6Very high96.8Very high23 Ų2337.3 Ų37.315%0.14922%0.221CC..Hα-helixtrans-58.3-37.4-172.3-25.734.8000112.9S190 D192 V200 Y240 H244 L245 Y246S190-P242 WeakPolarHBondContact O-CD 3.28Å; D192-P242 HydrophobicContact CB-CG 3.6Å; V200-P242 HydrophobicContact CG2-CB 4.22Å; Y240-P242 WeakPolarHBondContact O-CD 3.34Å; P242-H244 VanDerWaalsContact C-N 3.3Å; P242-H244 PolarHBondContact O-N 3.43Å; P242-L245 PolarHBondContact O-N 3.32Å; P242-Y246 WeakPolarHBondContact O-CB 3.34Å; P242-Y246 PolarHBondContact O-N 3.18Å
243S96.7Very high97.1Very high71 Ų7132.2 Ų32.250%0.49719%0.187SC..Hα-helixtrans-64.1-30.2178.260.70000114V241 H247V241-S243 VanDerWaalsContact C-N 3.26Å; V241-S243 WeakPolarHBondContact CG1-OG 3.24Å; V241-S243 PolarHBondContact O-N 2.73Å; S243-H247 WeakPolarHBondContact O-CB 3.25Å; S243-H247 PolarHBondContact O-N 3.38Å; S243-H247 VanDerWaalsContact O-N 3.1Å
244H98.4Very high97.4Very high17 Ų1728.9 Ų28.98%0.07915%0.149CC..Hα-helixtrans-71.1-44.7174.3-69.3-168.7000110.4Y240 V241 P242 H247 M248 Y338Y240-H244 HydrophobicContact CE1-CB 4.12Å; V241-H244 HydrophobicContact CB-CB 4.18Å; V241-H244 HydrophobicContact CG1-CB 4.24Å; V241-H244 VanDerWaalsContact CG1-CD2 3.49Å; V241-H244 WeakPolarHBondContact CG1-CD2 3.34Å; V241-H244 WeakPolarHBondContact O-CB 3.46Å; V241-H244 PolarHBondContact O-N 3.08Å; P242-H244 VanDerWaalsContact C-N 3.3Å; P242-H244 PolarHBondContact O-N 3.43Å; H244-H247 PolarHBondContact O-N 3.14Å; H244-M248 WeakPolarHBondContact O-CG 3.42Å; H244-M248 PolarHBondContact O-N 2.98Å; H244-Y338 HydrophobicContact CB-CD1 3.92Å; H244-Y338 HydrophobicContact CB-CE1 4.47Å; H244-Y338 AromaticContact CD2-CD1 3.85Å; H244-Y338 AromaticContact CD2-CE1 3.59Å; H244-Y338 AromaticContact CG-CD1 3.59Å; H244-Y338 AromaticContact CG-CE1 3.85Å; H244-Y338 AromaticContact ND1-CD1 3.77Å; H244-Y338 AromaticContact NE2-CE1 3.77Å
245L98.8Very high97.5Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-62.6-47.7177.3177.957.2000111.4V197 V200 Y240 V241 P242 H247 M248 L249 I286 L362V197-L245 HydrophobicContact CG1-CD2 4.26Å; V200-L245 HydrophobicContact CB-CD2 4.03Å; V200-L245 HydrophobicContact CB-CG 4.38Å; V200-L245 HydrophobicContact CG1-CB 4.08Å; V200-L245 HydrophobicContact CG1-CD2 3.92Å; V200-L245 HydrophobicContact CG1-CG 3.73Å; V200-L245 HydrophobicContact CG2-CD2 4.41Å; Y240-L245 HydrophobicContact CD1-CB 3.88Å; Y240-L245 HydrophobicContact CE1-CB 3.99Å; V241-L245 PolarHBondContact O-N 3.15Å; P242-L245 PolarHBondContact O-N 3.32Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.47Å; L245-M248 HydrophobicContact CD1-CE 4.06Å; L245-M248 PolarHBondContact O-N 3.39Å; L245-L249 HydrophobicContact CD1-CD1 3.66Å; L245-L249 HydrophobicContact CD1-CG 4.08Å; L245-L249 HydrophobicContact CD2-CD1 4.47Å; L245-L249 HydrophobicContact CG-CD1 3.69Å; L245-L249 WeakPolarHBondContact O-CG 3.38Å; L245-L249 PolarHBondContact O-N 3.45Å; L245-I286 HydrophobicContact CD1-CD1 3.66Å; L245-L362 HydrophobicContact CD1-CD1 4.18Å
246Y98.6Very high97.7Very high68 Ų6823.1 Ų23.127%0.26712%0.119SC..Hα-helixtrans-53.7-48.8174.9176.6-88.1000111.5D203 A204 T207 P242 M248 L249 F250D203-Y246 HydrophobicContact CB-CD2 4.28Å; D203-Y246 HydrophobicContact CB-CE2 4.22Å; A204-Y246 HydrophobicContact CB-CD2 3.9Å; A204-Y246 HydrophobicContact CB-CE2 4Å; T207-Y246 WeakPolarHBondContact CB-OH 3.33Å; T207-Y246 VanDerWaalsContact CG2-OH 3.29Å; T207-Y246 WeakPolarHBondContact CG2-OH 2.93Å; T207-Y246 PolarHBondContact OG1-OH 2.83Å; P242-Y246 WeakPolarHBondContact O-CB 3.34Å; P242-Y246 PolarHBondContact O-N 3.18Å; Y246-M248 VanDerWaalsContact C-N 3.34Å; Y246-M248 PolarHBondContact O-N 2.95Å; Y246-L249 PolarHBondContact O-N 3.06Å; Y246-F250 HydrophobicContact CD1-CB 4.43Å; Y246-F250 HydrophobicContact CE1-CB 4.09Å; Y246-F250 HydrophobicContact CE1-CG 4.28Å; Y246-F250 WeakPolarHBondContact O-CB 3.48Å; Y246-F250 PolarHBondContact O-N 2.88Å
247H97.3Very high97.7Very high52 Ų5223.1 Ų23.124%0.24112%0.119CC..Hα-helixtrans-58.7-44.7-179.3-178.478.8000112.4S243 H244 L245 E251 Y338S243-H247 WeakPolarHBondContact O-CB 3.25Å; S243-H247 PolarHBondContact O-N 3.38Å; S243-H247 VanDerWaalsContact O-N 3.1Å; H244-H247 PolarHBondContact O-N 3.14Å; L245-H247 VanDerWaalsContact C-N 3.33Å; L245-H247 PolarHBondContact O-N 3.47Å; H247-E251 WeakPolarHBondContact O-CG 3.4Å; H247-E251 PolarHBondContact O-N 2.9Å; H247-E251 VanDerWaalsContact O-N 3.12Å; H247-Y338 AromaticContact CD2-CD2 3.36Å; H247-Y338 WeakPolarHBondContact CD2-CD2 3.41Å; H247-Y338 AromaticContact CD2-CE2 3.25Å; H247-Y338 WeakPolarHBondContact CD2-CE2 3.36Å; H247-Y338 AromaticContact CG-CE2 3.89Å; H247-Y338 AromaticContact NE2-CD2 4Å; H247-Y338 AromaticContact NE2-CE2 3.63Å
248M98.7Very high97.6Very high0 Ų021.5 Ų21.50%011%0.11CC..Hα-helixtrans-62.9-47.6177.7-64.7-175.8-69.500111.7Y240 H244 L245 Y246 E251 L252 S335 A339 I360 L362Y240-M248 HydrophobicContact CE1-CE 4.42Å; H244-M248 WeakPolarHBondContact O-CG 3.42Å; H244-M248 PolarHBondContact O-N 2.98Å; L245-M248 HydrophobicContact CD1-CE 4.06Å; L245-M248 PolarHBondContact O-N 3.39Å; Y246-M248 VanDerWaalsContact C-N 3.34Å; Y246-M248 PolarHBondContact O-N 2.95Å; M248-E251 PolarHBondContact O-N 2.95Å; M248-L252 VanDerWaalsContact O-CG 3.31Å; M248-L252 WeakPolarHBondContact O-CG 3.48Å; M248-L252 PolarHBondContact O-N 3.25Å; M248-L252 VanDerWaalsContact O-N 3.08Å; M248-S335 WeakPolarHBondContact CG-O 3.48Å; M248-S335 VanDerWaalsContact SD-O 3.36Å; M248-A339 HydrophobicContact SD-CB 3.63Å; M248-A339 PolarHBondContact SD-N 3.21Å; M248-I360 HydrophobicContact CB-CD1 3.75Å; M248-I360 HydrophobicContact CE-CD1 4.48Å; M248-I360 HydrophobicContact CE-CG2 4.08Å; M248-I360 HydrophobicContact SD-CD1 4.43Å; M248-I360 HydrophobicContact SD-CG2 4.22Å; M248-L362 HydrophobicContact CE-CD2 4.25Å
249L98.8Very high97.6Very high1 Ų122.5 Ų22.51%0.00512%0.12CC..Hα-helixtrans-66-42.4-178.4-69.9165.4000111.7V200 V201 A204 L245 Y246 L252 F253 I286 M288 I360V200-L249 HydrophobicContact CG1-CD1 4.14Å; V201-L249 HydrophobicContact CB-CD1 4.39Å; V201-L249 HydrophobicContact CG2-CD1 3.63Å; V201-L249 HydrophobicContact CG2-CD2 4.13Å; A204-L249 HydrophobicContact CB-CB 3.6Å; L245-L249 HydrophobicContact CD1-CD1 3.66Å; L245-L249 HydrophobicContact CD1-CG 4.08Å; L245-L249 HydrophobicContact CD2-CD1 4.47Å; L245-L249 HydrophobicContact CG-CD1 3.69Å; L245-L249 WeakPolarHBondContact O-CG 3.38Å; L245-L249 PolarHBondContact O-N 3.45Å; Y246-L249 PolarHBondContact O-N 3.06Å; L249-L252 PolarHBondContact O-N 2.77Å; L249-F253 HydrophobicContact CB-CD2 4.34Å; L249-F253 HydrophobicContact CB-CE2 4.35Å; L249-F253 WeakPolarHBondContact O-CB 3.37Å; L249-F253 WeakPolarHBondContact O-CD2 3.38Å; L249-F253 PolarHBondContact O-N 3.38Å; L249-I286 HydrophobicContact CD2-CD1 4.49Å; L249-I286 HydrophobicContact CD2-CG2 4.01Å; L249-M288 HydrophobicContact CD2-CE 4.35Å; L249-I360 HydrophobicContact CD2-CD1 4.02Å; L249-I360 HydrophobicContact CG-CD1 4.32Å
250F97.8Very high97.6Very high26 Ų2621.1 Ų21.111%0.11411%0.111CC..Hα-helixtrans-58.9-48.1177.2174.5-103.3000111.6A204 T207 S208 L211 Y246 L252 F253 K254A204-F250 HydrophobicContact CB-CB 4.37Å; T207-F250 HydrophobicContact CG2-CD2 4.37Å; T207-F250 HydrophobicContact CG2-CE2 3.89Å; S208-F250 VanDerWaalsContact OG-CD2 3.24Å; S208-F250 WeakPolarHBondContact OG-CD2 3.28Å; S208-F250 PolarHBondContact OG-O 2.8Å; L211-F250 HydrophobicContact CD1-CE2 3.66Å; L211-F250 HydrophobicContact CD1-CZ 3.45Å; L211-F250 VanDerWaalsContact CD1-CZ 3.45Å; Y246-F250 HydrophobicContact CD1-CB 4.43Å; Y246-F250 HydrophobicContact CE1-CB 4.09Å; Y246-F250 HydrophobicContact CE1-CG 4.28Å; Y246-F250 WeakPolarHBondContact O-CB 3.48Å; Y246-F250 PolarHBondContact O-N 2.88Å; F250-L252 VanDerWaalsContact C-N 3.35Å; F250-L252 PolarHBondContact O-N 3.26Å; F250-F253 PolarHBondContact O-N 3.11Å; F250-K254 HydrophobicContact CD1-CD 4.43Å; F250-K254 HydrophobicContact CE1-CD 3.77Å; F250-K254 HydrophobicContact CE1-CG 4.44Å; F250-K254 HydrophobicContact CE2-CD 4.34Å; F250-K254 HydrophobicContact CE2-CG 4.33Å; F250-K254 HydrophobicContact CZ-CD 3.73Å; F250-K254 HydrophobicContact CZ-CG 4.22Å; F250-K254 WeakPolarHBondContact O-CG 3.44Å; F250-K254 PolarHBondContact O-N 3.27Å
251E96.8Very high97.6Very high26 Ų2621.5 Ų21.512%0.12111%0.113CC..Hα-helixtrans-64.6-38.1176.8-70.3-59.2132.200112.3H247 M248 K254 N255 G331 S335H247-E251 WeakPolarHBondContact O-CG 3.4Å; H247-E251 PolarHBondContact O-N 2.9Å; H247-E251 VanDerWaalsContact O-N 3.12Å; M248-E251 PolarHBondContact O-N 2.95Å; E251-K254 WeakPolarHBondContact OE1-CE 3.41Å; E251-K254 IonicContact OE1-NZ 2.77Å; E251-K254 PolarHBondContact OE1-NZ 3.43Å; E251-K254 VanDerWaalsContact OE2-CE 3.29Å; E251-K254 WeakPolarHBondContact OE2-CE 3.29Å; E251-K254 IonicContact OE2-NZ 3.75Å; E251-K254 PolarHBondContact OE2-NZ 3.31Å; E251-N255 PolarHBondContact O-N 2.95Å; E251-N255 PolarHBondContact O-ND2 2.96Å; E251-G331 WeakPolarHBondContact OE2-CA 3.35Å; E251-S335 WeakPolarHBondContact CB-OG 3.38Å
252L98.3Very high97.4Very high8 Ų825.2 Ų25.24%0.04213%0.131CC..Hα-helixtrans-66.8-44.2175.9-69.1-179.4000112.2M248 L249 F250 N255 A256 M288 L332 L346 A358 I360M248-L252 VanDerWaalsContact O-CG 3.31Å; M248-L252 WeakPolarHBondContact O-CG 3.48Å; M248-L252 PolarHBondContact O-N 3.25Å; M248-L252 VanDerWaalsContact O-N 3.08Å; L249-L252 PolarHBondContact O-N 2.77Å; F250-L252 VanDerWaalsContact C-N 3.35Å; F250-L252 PolarHBondContact O-N 3.26Å; L252-N255 PolarHBondContact O-N 2.9Å; L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.94Å; L252-M288 HydrophobicContact CB-CE 3.65Å; L252-M288 HydrophobicContact CB-SD 3.72Å; L252-L332 HydrophobicContact CD2-CD2 3.72Å; L252-L346 HydrophobicContact CD1-CD1 4.25Å; L252-L346 HydrophobicContact CD2-CD1 4.31Å; L252-L346 HydrophobicContact CD2-CD2 4.48Å; L252-L346 HydrophobicContact CG-CD1 4.46Å; L252-A358 HydrophobicContact CD1-CB 3.81Å; L252-A358 HydrophobicContact CD2-CB 3.69Å; L252-A358 HydrophobicContact CG-CB 4.31Å; L252-I360 HydrophobicContact CD1-CD1 3.82Å; L252-I360 HydrophobicContact CD1-CG1 3.94Å
253F98.6Very high97.4Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-62.4-46.2178.2-83.6-59.3000111.8V201 A204 Y205 S208 M222 L249 F250 N255 A256 M257 I273 V275 M288V201-F253 HydrophobicContact CG1-CE2 4.17Å; V201-F253 HydrophobicContact CG1-CZ 3.95Å; V201-F253 WeakPolarHBondContact O-CE2 3.45Å; A204-F253 HydrophobicContact CB-CD2 4.08Å; A204-F253 HydrophobicContact CB-CE2 4.25Å; Y205-F253 AromaticContact CD2-CD1 3.97Å; Y205-F253 HydrophobicContact CD2-CD1 3.97Å; Y205-F253 AromaticContact CD2-CE1 3.79Å; Y205-F253 HydrophobicContact CD2-CE1 3.79Å; Y205-F253 HydrophobicContact CD2-CZ 4.26Å; Y205-F253 HydrophobicContact CG-CE1 4.41Å; Y205-F253 HydrophobicContact CG-CZ 4.45Å; S208-F253 WeakPolarHBondContact OG-CB 3.46Å; M222-F253 HydrophobicContact SD-CE1 4.05Å; M222-F253 HydrophobicContact SD-CZ 3.66Å; L249-F253 HydrophobicContact CB-CD2 4.34Å; L249-F253 HydrophobicContact CB-CE2 4.35Å; L249-F253 WeakPolarHBondContact O-CB 3.37Å; L249-F253 WeakPolarHBondContact O-CD2 3.38Å; L249-F253 PolarHBondContact O-N 3.38Å; F250-F253 PolarHBondContact O-N 3.11Å; F253-N255 VanDerWaalsContact C-N 3.28Å; F253-N255 PolarHBondContact O-N 2.74Å; F253-A256 PolarHBondContact O-N 2.9Å; F253-M257 VanDerWaalsContact O-CB 3.26Å; F253-M257 WeakPolarHBondContact O-CB 3.49Å; F253-M257 WeakPolarHBondContact O-CG 3.41Å; F253-M257 PolarHBondContact O-N 3.4Å; F253-I273 HydrophobicContact CD1-CD1 4.26Å; F253-I273 HydrophobicContact CD1-CG2 4.28Å; F253-I273 HydrophobicContact CE1-CG2 4.03Å; F253-V275 HydrophobicContact CE1-CG2 3.92Å; F253-V275 HydrophobicContact CZ-CG2 3.79Å; F253-M288 HydrophobicContact CB-CE 4.39Å; F253-M288 HydrophobicContact CD1-CE 3.52Å; F253-M288 HydrophobicContact CD1-SD 3.79Å; F253-M288 HydrophobicContact CD2-CE 3.63Å; F253-M288 HydrophobicContact CE1-CE 3.57Å; F253-M288 HydrophobicContact CE1-SD 4.1Å; F253-M288 HydrophobicContact CE2-CE 3.67Å; F253-M288 HydrophobicContact CG-CE 3.55Å; F253-M288 HydrophobicContact CG-SD 4.17Å; F253-M288 HydrophobicContact CZ-CE 3.65Å
254K96.1Very high97.4Very high15 Ų1526 Ų267%0.06513%0.13CC..Hα-helixtrans-54.3-45.8174.3-72.7-169.7-40.1-170.60112.2F250 E251 R258 L325F250-K254 HydrophobicContact CD1-CD 4.43Å; F250-K254 HydrophobicContact CE1-CD 3.77Å; F250-K254 HydrophobicContact CE1-CG 4.44Å; F250-K254 HydrophobicContact CE2-CD 4.34Å; F250-K254 HydrophobicContact CE2-CG 4.33Å; F250-K254 HydrophobicContact CZ-CD 3.73Å; F250-K254 HydrophobicContact CZ-CG 4.22Å; F250-K254 WeakPolarHBondContact O-CG 3.44Å; F250-K254 PolarHBondContact O-N 3.27Å; E251-K254 WeakPolarHBondContact OE1-CE 3.41Å; E251-K254 IonicContact OE1-NZ 2.77Å; E251-K254 PolarHBondContact OE1-NZ 3.43Å; E251-K254 VanDerWaalsContact OE2-CE 3.29Å; E251-K254 WeakPolarHBondContact OE2-CE 3.29Å; E251-K254 IonicContact OE2-NZ 3.75Å; E251-K254 PolarHBondContact OE2-NZ 3.31Å; K254-R258 WeakPolarHBondContact O-CB 3.47Å; K254-R258 PolarHBondContact O-N 3.37Å; K254-L325 HydrophobicContact CB-CD1 4.25Å; K254-L325 HydrophobicContact CD-CD1 4.17Å; K254-L325 HydrophobicContact CG-CD1 3.99Å
255N95.9Very high97Very high59 Ų5932.5 Ų32.532%0.31616%0.16SC..Hα-helixtrans-65.6-46-179.8-76.8-58.4000111.7E251 L252 F253 A259E251-N255 PolarHBondContact O-N 2.95Å; E251-N255 PolarHBondContact O-ND2 2.96Å; L252-N255 PolarHBondContact O-N 2.9Å; F253-N255 VanDerWaalsContact C-N 3.28Å; F253-N255 PolarHBondContact O-N 2.74Å; N255-A259 WeakPolarHBondContact O-CB 3.2Å; N255-A259 PolarHBondContact O-N 3.16Å
256A98.1Very high96.6Very high3 Ų339.2 Ų39.23%0.02520%0.201CC..Hα-helixtrans-63.6-43.5178.200000112.2L252 F253 T260 I273 M288 D290L252-A256 WeakPolarHBondContact O-CB 3.42Å; L252-A256 PolarHBondContact O-N 2.94Å; F253-A256 PolarHBondContact O-N 2.9Å; A256-T260 VanDerWaalsContact O-CB 3.26Å; A256-T260 WeakPolarHBondContact O-CB 3.19Å; A256-T260 PolarHBondContact O-N 3.44Å; A256-T260 PolarHBondContact O-OG1 3.09Å; A256-I273 HydrophobicContact CB-CD1 3.76Å; A256-I273 HydrophobicContact CB-CG1 4.3Å; A256-M288 HydrophobicContact CB-SD 4.02Å; A256-D290 HydrophobicContact CB-CB 3.96Å
257M97.9Very high96.3Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-63.4-51.2177-73.2176172.400111Y205 K209 C212 P220 F253 A259 T260 V261 I273Y205-M257 HydrophobicContact CD2-CE 3.4Å; Y205-M257 HydrophobicContact CE2-CE 3.27Å; Y205-M257 HydrophobicContact CG-CE 4.4Å; K209-M257 HydrophobicContact CB-CE 3.95Å; C212-M257 HydrophobicContact CB-CB 4.29Å; C212-M257 HydrophobicContact CB-SD 3.85Å; P220-M257 HydrophobicContact CG-CB 4.29Å; P220-M257 HydrophobicContact CG-CG 3.83Å; F253-M257 VanDerWaalsContact O-CB 3.26Å; F253-M257 WeakPolarHBondContact O-CB 3.49Å; F253-M257 WeakPolarHBondContact O-CG 3.41Å; F253-M257 PolarHBondContact O-N 3.4Å; M257-A259 PolarHBondContact O-N 3.22Å; M257-T260 PolarHBondContact O-N 3.43Å; M257-V261 WeakPolarHBondContact O-CG2 3.12Å; M257-V261 PolarHBondContact O-N 3.32Å; M257-I273 HydrophobicContact CB-CD1 4.43Å; M257-I273 HydrophobicContact CG-CD1 3.54Å
258R95.4Very high95.9Very high44 Ų4442.6 Ų42.617%0.16624%0.237CC..Hα-helixtrans-54-53.1176.2172.7167.2-178.2-142.9-7.7111.5Y216 K254 T260 V261 E262 L325Y216-R258 WeakPolarHBondContact OH-CG 3.42Å; K254-R258 WeakPolarHBondContact O-CB 3.47Å; K254-R258 PolarHBondContact O-N 3.37Å; R258-T260 VanDerWaalsContact C-N 3.3Å; R258-T260 PolarHBondContact O-N 3.03Å; R258-V261 PolarHBondContact O-N 2.87Å; R258-E262 HydrophobicContact CG-CG 4.32Å; R258-E262 WeakPolarHBondContact CG-OE1 3.39Å; R258-E262 IonicContact CZ-OE1 3.11Å; R258-E262 IonicContact NE-OE1 2.78Å; R258-E262 PolarHBondContact NE-OE1 3.34Å; R258-E262 IonicContact NE-OE2 3.55Å; R258-E262 IonicContact NH2-OE1 3.65Å; R258-E262 PolarHBondContact NH2-OE1 2.63Å; R258-E262 IonicContact NH2-OE2 3.42Å; R258-E262 WeakPolarHBondContact O-CB 3.41Å; R258-E262 WeakPolarHBondContact O-CG 3.36Å; R258-E262 PolarHBondContact O-N 3.07Å; R258-L325 HydrophobicContact CB-CD2 4.07Å
259A96.3Very high95.7Very high29 Ų2946.6 Ų46.624%0.2427%0.265CS..Hα-helixtrans-61.4-39.8-179.100000112N255 M257 T263 G292N255-A259 WeakPolarHBondContact O-CB 3.2Å; N255-A259 PolarHBondContact O-N 3.16Å; M257-A259 PolarHBondContact O-N 3.22Å; A259-T263 VanDerWaalsContact O-CB 3.23Å; A259-T263 WeakPolarHBondContact O-CB 3.49Å; A259-T263 PolarHBondContact O-N 2.96Å; A259-T263 VanDerWaalsContact O-N 3.08Å; A259-T263 PolarHBondContact O-OG1 2.74Å; A259-G292 WeakPolarHBondContact O-CA 3.27Å
260T98.2Very high95.7Very high0 Ų048.3 Ų48.30%027%0.274CS..Hα-helixtrans-65.5-48179.3-60.20000111.6P220 A256 M257 R258 T263 H264 L270 P271P220-T260 HydrophobicContact CB-CG2 4.13Å; P220-T260 HydrophobicContact CG-CG2 4.36Å; A256-T260 VanDerWaalsContact O-CB 3.26Å; A256-T260 WeakPolarHBondContact O-CB 3.19Å; A256-T260 PolarHBondContact O-N 3.44Å; A256-T260 PolarHBondContact O-OG1 3.09Å; M257-T260 PolarHBondContact O-N 3.43Å; R258-T260 VanDerWaalsContact C-N 3.3Å; R258-T260 PolarHBondContact O-N 3.03Å; T260-T263 PolarHBondContact O-N 3.02Å; T260-H264 WeakPolarHBondContact O-CB 3.26Å; T260-H264 PolarHBondContact O-N 2.81Å; T260-H264 PolarHBondContact O-ND1 2.83Å; T260-L270 HydrophobicContact CG2-CB 4.43Å; T260-P271 HydrophobicContact CG2-CG 3.76Å
261V96.8Very high95.7Very high9 Ų948 Ų486%0.05528%0.275CS..Hα-helixtrans-65.1-51.4180175.60000111.1Y216 T218 M257 R258 T263 H264 E265 L270Y216-V261 HydrophobicContact CD1-CG1 3.72Å; Y216-V261 HydrophobicContact CD2-CB 4.44Å; Y216-V261 HydrophobicContact CD2-CG1 4.18Å; Y216-V261 HydrophobicContact CE1-CG1 4.32Å; Y216-V261 HydrophobicContact CG-CB 4.4Å; Y216-V261 HydrophobicContact CG-CG1 3.67Å; T218-V261 HydrophobicContact CG2-CG1 4.26Å; T218-V261 HydrophobicContact CG2-CG2 4.47Å; M257-V261 WeakPolarHBondContact O-CG2 3.12Å; M257-V261 PolarHBondContact O-N 3.32Å; R258-V261 PolarHBondContact O-N 2.87Å; V261-T263 PolarHBondContact O-N 3.39Å; V261-H264 CarbonylContact O-C 3.48Å; V261-H264 PolarHBondContact O-N 3.19Å; V261-E265 PolarHBondContact O-N 2.93Å; V261-L270 HydrophobicContact CG2-CD1 3.8Å
262E95.1Very high95.8Very high78 Ų7848.5 Ų48.536%0.36428%0.28SS..Hα-helixtrans-61.6-30.8-179.4-70.1-179.8-179.700112.2Y216 R258Y216-E262 HydrophobicContact CE1-CG 4.2Å; Y216-E262 PolarHBondContact OH-OE1 3.23Å; R258-E262 HydrophobicContact CG-CG 4.32Å; R258-E262 WeakPolarHBondContact CG-OE1 3.39Å; R258-E262 IonicContact CZ-OE1 3.11Å; R258-E262 IonicContact NE-OE1 2.78Å; R258-E262 PolarHBondContact NE-OE1 3.34Å; R258-E262 IonicContact NE-OE2 3.55Å; R258-E262 IonicContact NH2-OE1 3.65Å; R258-E262 PolarHBondContact NH2-OE1 2.63Å; R258-E262 IonicContact NH2-OE2 3.42Å; R258-E262 WeakPolarHBondContact O-CB 3.41Å; R258-E262 WeakPolarHBondContact O-CG 3.36Å; R258-E262 PolarHBondContact O-N 3.07Å
263T96.8Very high95.8Very high71 Ų7148.1 Ų48.144%0.43628%0.278SS..Hα-helixtrans-77-25.9176.9-58.40000112.8A259 T260 V261 G292A259-T263 VanDerWaalsContact O-CB 3.23Å; A259-T263 WeakPolarHBondContact O-CB 3.49Å; A259-T263 PolarHBondContact O-N 2.96Å; A259-T263 VanDerWaalsContact O-N 3.08Å; A259-T263 PolarHBondContact O-OG1 2.74Å; T260-T263 PolarHBondContact O-N 3.02Å; V261-T263 PolarHBondContact O-N 3.39Å; T263-G292 PolarHBondContact OG1-O 2.98Å; T263-G292 VanDerWaalsContact OG1-O 3.12Å
264H96.8Very high95.8Very high41 Ų4152.6 Ų52.619%0.1930%0.298CS..THydrogen-bonded Turntrans-115.524.2-170.7-68.780.1000112.9T260 V261 T266 S267 L270 K291T260-H264 WeakPolarHBondContact O-CB 3.26Å; T260-H264 PolarHBondContact O-N 2.81Å; T260-H264 PolarHBondContact O-ND1 2.83Å; V261-H264 CarbonylContact O-C 3.48Å; V261-H264 PolarHBondContact O-N 3.19Å; H264-T266 PolarHBondContact O-N 3.3Å; H264-S267 WeakPolarHBondContact O-CB 3.29Å; H264-S267 PolarHBondContact O-N 3.45Å; H264-L270 HydrophobicContact CB-CD2 3.63Å; H264-K291 PolarHBondContact CE1-O 3.48Å
265E90.9Very high95.9Very high152 Ų15252 Ų5271%0.7130%0.296SS*.THydrogen-bonded Turntrans-52.4-32.2-177-70.1-178.9176.200114V261V261-E265 PolarHBondContact O-N 2.93Å
266T90.8Very high96.1Very high142 Ų14255.9 Ų55.987%0.87131%0.306SS*.THydrogen-bonded Turntrans-96-3179.556.90000114H264H264-T266 PolarHBondContact O-N 3.3Å
267S91.6Very high96.1Very high50 Ų5055.7 Ų55.735%0.3531%0.305SS..  trans-86.5141.8-178.1-61.80000111.1H264 S269H264-S267 WeakPolarHBondContact O-CB 3.29Å; H264-S267 PolarHBondContact O-N 3.45Å; S267-S269 PolarHBondContact O-N 3.45Å
268P88.4Confident96.1Very high141 Ų14157.4 Ų57.492%0.91632%0.316SS*.SBendtrans-72.4-13.4-179.830.3-36.2000113.5
269S94.6Very high96.2Very high84 Ų8455.9 Ų55.959%0.58731%0.311SS*.SBendtrans-146.3144.3-177.562.90000110.4S267S267-S269 PolarHBondContact O-N 3.45Å
270L97.9Very high96.2Very high36 Ų3655.7 Ų55.719%0.18831%0.312CS..PPolyproline II helixtrans-93.5136.5175.9-60.7175.5000110.8T218 P220 T260 V261 H264T218-L270 HydrophobicContact CG2-CD1 3.92Å; P220-L270 HydrophobicContact CB-CB 4.15Å; T260-L270 HydrophobicContact CG2-CB 4.43Å; V261-L270 HydrophobicContact CG2-CD1 3.8Å; H264-L270 HydrophobicContact CB-CD2 3.63Å
271P98.1Very high96Very high21 Ų2162.7 Ų62.714%0.13635%0.348CS..PPolyproline II helixtrans-67.1140.3172.127.5-32.3000110.5P220 T260 K291P220-P271 WeakPolarHBondContact CB-O 3.13Å; T260-P271 HydrophobicContact CG2-CG 3.76Å; P271-K291 HydrophobicContact CB-CB 4.11Å; P271-K291 HydrophobicContact CB-CD 3.88Å; P271-K291 HydrophobicContact CB-CG 4.33Å; P271-K291 HydrophobicContact CG-CB 3.77Å; P271-K291 HydrophobicContact CG-CD 4.37Å
272P98.4Very high95.9Very high36 Ų3667.6 Ų67.623%0.23437%0.37CS..PPolyproline II helixtrans-71.6149-178.728.4-34.1000111.8D221 E223D221-P272 HydrophobicContact CB-CB 4.27Å; D221-P272 CarbonylContact O-C 3.45Å; D221-P272 WeakPolarHBondContact O-CA 3.18Å; D221-P272 WeakPolarHBondContact O-CB 3.46Å; E223-P272 HydrophobicContact CG-CB 4.1Å; E223-P272 HydrophobicContact CG-CG 4.1Å; E223-P272 VanDerWaalsContact OE1-CG 3.23Å; E223-P272 WeakPolarHBondContact OE1-CG 3.35Å
273I98.8Very high96Very high0 Ų066.8 Ų66.80%037%0.369CS..EExtended strand (participates in β ladder)trans-77.4124.6169.7-61.6171.2000108.1P220 D221 M222 E223 F253 A256 M257 V275 M288P220-I273 HydrophobicContact CB-CG1 4.29Å; P220-I273 HydrophobicContact CG-CD1 3.69Å; P220-I273 HydrophobicContact CG-CG1 3.96Å; D221-I273 PolarHBondContact O-N 3.29Å; M222-I273 WeakPolarHBondContact CA-O 3.42Å; E223-I273 PolarHBondContact N-O 3.08Å; F253-I273 HydrophobicContact CD1-CD1 4.26Å; F253-I273 HydrophobicContact CD1-CG2 4.28Å; F253-I273 HydrophobicContact CE1-CG2 4.03Å; A256-I273 HydrophobicContact CB-CD1 3.76Å; A256-I273 HydrophobicContact CB-CG1 4.3Å; M257-I273 HydrophobicContact CB-CD1 4.43Å; M257-I273 HydrophobicContact CG-CD1 3.54Å; I273-V275 HydrophobicContact CG2-CG2 4.48Å; I273-M288 HydrophobicContact CG2-CG 3.59Å; I273-M288 HydrophobicContact CG2-SD 4.18Å
274K98.9Very high96.1Very high93 Ų9363.4 Ų63.440%0.40435%0.348SS..EExtended strand (participates in β ladder)trans-98.6122.1-177.9-56.5-165.7179.5-1330110.3E223 M288 S289E223-K274 HydrophobicContact CB-CG 4.37Å; E223-K274 CarbonylContact O-C 3.6Å; E223-K274 WeakPolarHBondContact O-CA 3.16Å; E223-K274 IonicContact OE1-NZ 3.71Å; E223-K274 PolarHBondContact OE1-NZ 3.2Å; E223-K274 VanDerWaalsContact OE2-CE 3.26Å; E223-K274 WeakPolarHBondContact OE2-CE 3.45Å; E223-K274 IonicContact OE2-NZ 2.68Å; E223-K274 PolarHBondContact OE2-NZ 3.09Å; K274-M288 CarbonylContact O-C 3.47Å; K274-M288 WeakPolarHBondContact O-CA 3.33Å; K274-S289 PolarHBondContact N-O 2.88Å; K274-S289 PolarHBondContact O-N 3.28Å
275V98.8Very high96.1Very high4 Ų462.6 Ų62.62%0.02435%0.346CS..EExtended strand (participates in β ladder)trans-111.8130.1175.6-174.40000109.6V201 M222 E223 I224 K225 F253 I273 V277 I286 K287 M288V201-V275 HydrophobicContact CG1-CB 4.49Å; V201-V275 HydrophobicContact CG1-CG1 4.01Å; V201-V275 HydrophobicContact CG1-CG2 4.42Å; M222-V275 HydrophobicContact CG-CG2 4.16Å; M222-V275 HydrophobicContact SD-CG2 4.01Å; E223-V275 PolarHBondContact O-N 3.3Å; I224-V275 CarbonylContact C-O 3.49Å; I224-V275 WeakPolarHBondContact CA-O 3.42Å; I224-V275 HydrophobicContact CG1-CB 4.3Å; I224-V275 HydrophobicContact CG1-CG1 4.46Å; K225-V275 PolarHBondContact N-O 3.11Å; F253-V275 HydrophobicContact CE1-CG2 3.92Å; F253-V275 HydrophobicContact CZ-CG2 3.79Å; I273-V275 HydrophobicContact CG2-CG2 4.48Å; V275-V277 HydrophobicContact CG1-CG2 4.23Å; V275-I286 HydrophobicContact CG1-CG2 3.93Å; V275-K287 CarbonylContact C-O 3.52Å; V275-K287 VanDerWaalsContact CA-O 3.32Å; V275-K287 WeakPolarHBondContact CA-O 3.41Å; V275-M288 HydrophobicContact CG2-CG 4.34Å
276R98.6Very high96.5Very high139 Ų13955.5 Ų55.553%0.52531%0.313SS..EExtended strand (participates in β ladder)trans-119.5122.8170.4-175.3176.1-64.4176.6-0.1109.4K225 I286 K287K225-R276 CarbonylContact O-C 3.55Å; K225-R276 VanDerWaalsContact O-CA 3.29Å; K225-R276 WeakPolarHBondContact O-CA 3.22Å; R276-I286 CarbonylContact O-C 3.58Å; R276-I286 WeakPolarHBondContact O-CA 3.38Å; R276-K287 HydrophobicContact CB-CB 4.47Å; R276-K287 PolarHBondContact N-O 3.28Å; R276-K287 PolarHBondContact O-N 2.77Å
277V98.6Very high96.9Very high0 Ų052.9 Ų52.90%029%0.289CS..EExtended strand (participates in β ladder)trans-107.6123.8173.7-173.40000107.6V197 V201 I224 K225 E226 V227 I236 V275 L284 T285 I286V197-V277 HydrophobicContact CB-CG1 4.34Å; V197-V277 HydrophobicContact CG1-CG1 3.67Å; V197-V277 HydrophobicContact CG1-CG2 4.48Å; V201-V277 HydrophobicContact CG2-CG2 4.42Å; I224-V277 HydrophobicContact CD1-CG2 4.34Å; K225-V277 PolarHBondContact O-N 2.77Å; E226-V277 CarbonylContact C-O 3.57Å; E226-V277 WeakPolarHBondContact CA-O 3.31Å; V227-V277 PolarHBondContact N-O 3.17Å; I236-V277 HydrophobicContact CB-CG1 4.42Å; I236-V277 HydrophobicContact CD1-CB 4.15Å; I236-V277 HydrophobicContact CD1-CG1 3.7Å; I236-V277 HydrophobicContact CG2-CG1 4.14Å; V275-V277 HydrophobicContact CG1-CG2 4.23Å; V277-L284 HydrophobicContact CG1-CD1 4.02Å; V277-T285 WeakPolarHBondContact CA-O 3.29Å; V277-I286 HydrophobicContact CG1-CG1 4.3Å; V277-I286 HydrophobicContact CG2-CG1 4.45Å; V277-I286 HydrophobicContact CG2-CG2 4.33Å
278S98.1Very high97.3Very high35 Ų3550.8 Ų50.825%0.24527%0.274CS..EExtended strand (participates in β ladder)trans-129.9130.5177.859.40000111.8V227 L284 T285V227-S278 CarbonylContact O-C 3.37Å; V227-S278 WeakPolarHBondContact O-CA 3.49Å; S278-L284 WeakPolarHBondContact O-CA 3.38Å; S278-T285 PolarHBondContact N-O 3.19Å; S278-T285 PolarHBondContact O-N 2.9Å
279L98.3Very high97.7Very high12 Ų1245.4 Ų45.46%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-109.2113.3175-178.464.4000109.8V227 S229 I236 I238 L284 A364V227-L279 PolarHBondContact O-N 2.77Å; S229-L279 WeakPolarHBondContact CB-O 3.48Å; S229-L279 PolarHBondContact N-O 3.33Å; I236-L279 HydrophobicContact CD1-CB 4.25Å; I236-L279 HydrophobicContact CG1-CB 4.18Å; I236-L279 HydrophobicContact CG2-CB 3.87Å; I236-L279 HydrophobicContact CG2-CD2 4.22Å; I236-L279 HydrophobicContact CG2-CG 4.49Å; I238-L279 HydrophobicContact CG2-CD1 4.09Å; L279-L284 HydrophobicContact CB-CD1 4.23Å; L279-L284 HydrophobicContact CD1-CB 4.18Å; L279-L284 HydrophobicContact CD1-CD1 4.12Å; L279-A364 HydrophobicContact CD1-CB 3.8Å
280G96.3Very high97.9Very high25 Ų2542.2 Ų42.226%0.25822%0.216SC..  trans-95.2-16117100000112.4D283G280-D283 PolarHBondContact N-O 3.19Å
281I94.2Very high98Very high147 Ų14744.6 Ų44.675%0.75423%0.225SC*.SBendtrans-75.3-49.1176.7-60.1172.7000110.3
282E94.8Very high97.9Very high112 Ų11244 Ų4452%0.52322%0.223SC..SBendtrans-100.5-33.3-175.9-63.7-178.8-17200112.7A364E282-A364 WeakPolarHBondContact O-CB 3.35Å; E282-A364 PolarHBondContact O-N 3.12Å
283D96Very high97.9Very high61 Ų6143.1 Ų43.133%0.32622%0.22SC..EExtended strand (participates in β ladder)trans-119138.9-168.7-59.2-41.7000112.4G280 L362 K363G280-D283 PolarHBondContact N-O 3.19Å; D283-L362 WeakPolarHBondContact CA-O 3.42Å; D283-K363 IonicContact OD1-NZ 3.42Å
284L98.4Very high97.8Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-97.5126.8154.8175.876.4000107.7V197 I236 I238 V277 S278 L279 L362V197-L284 HydrophobicContact CG1-CD2 4.15Å; V197-L284 HydrophobicContact CG2-CD1 4.35Å; V197-L284 HydrophobicContact CG2-CD2 3.63Å; I236-L284 HydrophobicContact CG2-CD1 3.43Å; I236-L284 VanDerWaalsContact CG2-CD1 3.43Å; I238-L284 HydrophobicContact CD1-CD2 3.39Å; I238-L284 HydrophobicContact CG1-CD2 3.93Å; I238-L284 HydrophobicContact CG2-CB 4.37Å; I238-L284 HydrophobicContact CG2-CD1 4.5Å; I238-L284 HydrophobicContact CG2-CD2 4.06Å; V277-L284 HydrophobicContact CG1-CD1 4.02Å; S278-L284 WeakPolarHBondContact O-CA 3.38Å; L279-L284 HydrophobicContact CB-CD1 4.23Å; L279-L284 HydrophobicContact CD1-CB 4.18Å; L279-L284 HydrophobicContact CD1-CD1 4.12Å; L284-L362 HydrophobicContact CB-CB 4.32Å; L284-L362 HydrophobicContact CD2-CD1 4.14Å; L284-L362 PolarHBondContact N-O 2.61Å; L284-L362 PolarHBondContact O-N 3.32Å
285T98.7Very high97.6Very high24 Ų2441.3 Ų41.315%0.14722%0.221CC..EExtended strand (participates in β ladder)trans-121.6132.2178.5-53.10000110.7V277 S278 V359 I360 Y361V277-T285 WeakPolarHBondContact CA-O 3.29Å; S278-T285 PolarHBondContact N-O 3.19Å; S278-T285 PolarHBondContact O-N 2.9Å; T285-V359 HydrophobicContact CG2-CG1 3.39Å; T285-I360 CarbonylContact C-O 3.51Å; T285-I360 WeakPolarHBondContact CA-O 3.43Å; T285-Y361 HydrophobicContact CG2-CD1 3.95Å; T285-Y361 HydrophobicContact CG2-CE1 3.77Å
286I98.9Very high97.5Very high4 Ų442 Ų422%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-120.1111.8173.5-52.8168.5000108V197 L245 L249 V275 R276 V277 V359 I360V197-I286 HydrophobicContact CG1-CD1 3.69Å; V197-I286 HydrophobicContact CG1-CG1 4.2Å; L245-I286 HydrophobicContact CD1-CD1 3.66Å; L249-I286 HydrophobicContact CD2-CD1 4.49Å; L249-I286 HydrophobicContact CD2-CG2 4.01Å; V275-I286 HydrophobicContact CG1-CG2 3.93Å; R276-I286 CarbonylContact O-C 3.58Å; R276-I286 WeakPolarHBondContact O-CA 3.38Å; V277-I286 HydrophobicContact CG1-CG1 4.3Å; V277-I286 HydrophobicContact CG2-CG1 4.45Å; V277-I286 HydrophobicContact CG2-CG2 4.33Å; I286-V359 CarbonylContact O-C 3.35Å; I286-V359 WeakPolarHBondContact O-CA 3.31Å; I286-I360 HydrophobicContact CB-CB 4.37Å; I286-I360 PolarHBondContact N-O 3.29Å; I286-I360 PolarHBondContact O-N 3.1Å
287K98.8Very high97.3Very high87 Ų8742.5 Ų42.538%0.37824%0.237SC..EExtended strand (participates in β ladder)trans-103.9120.1175.8176.1173.4177.5173.40109.8V275 R276 S289 S357 A358 V359V275-K287 CarbonylContact C-O 3.52Å; V275-K287 VanDerWaalsContact CA-O 3.32Å; V275-K287 WeakPolarHBondContact CA-O 3.41Å; R276-K287 HydrophobicContact CB-CB 4.47Å; R276-K287 PolarHBondContact N-O 3.28Å; R276-K287 PolarHBondContact O-N 2.77Å; K287-S289 VanDerWaalsContact CE-OG 3.26Å; K287-S289 WeakPolarHBondContact CE-OG 3.34Å; K287-S357 WeakPolarHBondContact CE-OG 3.32Å; K287-A358 CarbonylContact C-O 3.5Å; K287-A358 WeakPolarHBondContact CA-O 3.48Å; K287-V359 HydrophobicContact CB-CG2 4.31Å; K287-V359 HydrophobicContact CD-CG2 4.47Å; K287-V359 HydrophobicContact CG-CG2 4.13Å
288M98.8Very high97Very high6 Ų651.2 Ų51.23%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-105131.8171-174.4-176.1-61.300109L249 L252 F253 A256 I273 K274 V275 S357 A358L249-M288 HydrophobicContact CD2-CE 4.35Å; L252-M288 HydrophobicContact CB-CE 3.65Å; L252-M288 HydrophobicContact CB-SD 3.72Å; F253-M288 HydrophobicContact CB-CE 4.39Å; F253-M288 HydrophobicContact CD1-CE 3.52Å; F253-M288 HydrophobicContact CD1-SD 3.79Å; F253-M288 HydrophobicContact CD2-CE 3.63Å; F253-M288 HydrophobicContact CE1-CE 3.57Å; F253-M288 HydrophobicContact CE1-SD 4.1Å; F253-M288 HydrophobicContact CE2-CE 3.67Å; F253-M288 HydrophobicContact CG-CE 3.55Å; F253-M288 HydrophobicContact CG-SD 4.17Å; F253-M288 HydrophobicContact CZ-CE 3.65Å; A256-M288 HydrophobicContact CB-SD 4.02Å; I273-M288 HydrophobicContact CG2-CG 3.59Å; I273-M288 HydrophobicContact CG2-SD 4.18Å; K274-M288 CarbonylContact O-C 3.47Å; K274-M288 WeakPolarHBondContact O-CA 3.33Å; V275-M288 HydrophobicContact CG2-CG 4.34Å; M288-S357 CarbonylContact O-C 3.59Å; M288-S357 VanDerWaalsContact O-CA 3.24Å; M288-S357 WeakPolarHBondContact O-CA 3.48Å; M288-A358 PolarHBondContact N-O 3.38Å; M288-A358 PolarHBondContact O-N 2.88Å
289S98.8Very high96.8Very high27 Ų2752.8 Ų52.819%0.18927%0.273CS..EExtended strand (participates in β ladder)trans-132.4125-179.3-59.70000110.8K274 K287 T356 S357K274-S289 PolarHBondContact N-O 2.88Å; K274-S289 PolarHBondContact O-N 3.28Å; K287-S289 VanDerWaalsContact CE-OG 3.26Å; K287-S289 WeakPolarHBondContact CE-OG 3.34Å; S289-T356 WeakPolarHBondContact CA-O 3.41Å; S289-S357 PolarHBondContact OG-OG 2.86Å
290D98.7Very high96.5Very high18 Ų1853.1 Ų53.110%0.09628%0.275CS..  trans-106.8172.4173.566.262000111.4A256 G292 T356A256-D290 HydrophobicContact CB-CB 3.96Å; D290-G292 PolarHBondContact OD1-N 3.36Å; D290-T356 PolarHBondContact N-O 3.43Å; D290-T356 PolarHBondContact OD1-N 3.02Å
291K98.4Very high96.3Very high86 Ų8660 Ų6037%0.37430%0.3SS..  trans-116.938.5165-65.8-172-179179.20110.7H264 P271 G293 Y354H264-K291 PolarHBondContact CE1-O 3.48Å; P271-K291 HydrophobicContact CB-CB 4.11Å; P271-K291 HydrophobicContact CB-CD 3.88Å; P271-K291 HydrophobicContact CB-CG 4.33Å; P271-K291 HydrophobicContact CG-CB 3.77Å; P271-K291 HydrophobicContact CG-CD 4.37Å; K291-G293 PolarHBondContact O-N 2.95Å; K291-Y354 CarbonylContact C-O 3.57Å; K291-Y354 VanDerWaalsContact CA-O 3.27Å; K291-Y354 WeakPolarHBondContact CA-O 3.21Å; K291-Y354 WeakPolarHBondContact CE-OH 3.4Å; K291-Y354 HydrophobicContact CG-CE1 4.42Å
292G97.6Very high96.1Very high8 Ų858.7 Ų58.78%0.08229%0.285CS..SBendtrans-82.537.3-175.900000114.3A259 T263 D290 G294A259-G292 WeakPolarHBondContact O-CA 3.27Å; T263-G292 PolarHBondContact OG1-O 2.98Å; T263-G292 VanDerWaalsContact OG1-O 3.12Å; D290-G292 PolarHBondContact OD1-N 3.36Å; G292-G294 PolarHBondContact O-N 2.81Å
293G96.6Very high96Very high18 Ų1854.7 Ų54.719%0.18627%0.268CS..BIsolated β-bridgetrans75.2-15.7174.600000115.8K291 G353 Y354K291-G293 PolarHBondContact O-N 2.95Å; G293-G353 CarbonylContact O-C 3.55Å; G293-G353 WeakPolarHBondContact O-CA 3.49Å; G293-G353 PolarHBondContact O-N 3.06Å; G293-Y354 PolarHBondContact N-O 2.94Å; G293-Y354 PolarHBondContact O-N 3.15Å
294G96.9Very high96Very high20 Ų2052.5 Ų52.521%0.20626%0.255CS..  trans73.8-176.5173.600000114.8G292 S350G292-G294 PolarHBondContact O-N 2.81Å; G294-S350 WeakPolarHBondContact CA-OG 3.33Å
295V96.2Very high95.7Very high34 Ų3453.3 Ų53.321%0.20626%0.261CS..  trans-138.2132.6-171.6-178.50000109.2L297 K299 I300 L303 S350V295-L297 PolarHBondContact O-N 3.07Å; V295-K299 HydrophobicContact CG1-CB 3.72Å; V295-K299 HydrophobicContact CG1-CD 4.49Å; V295-I300 HydrophobicContact CB-CD1 3.92Å; V295-I300 HydrophobicContact CG1-CD1 4.04Å; V295-L303 HydrophobicContact CG1-CD1 4.34Å; V295-L303 HydrophobicContact CG2-CD1 4.46Å; V295-S350 PolarHBondContact N-OG 2.88Å
296P96.4Very high95.3Very high18 Ų1852.5 Ų52.512%0.11726%0.255CS..  trans-56.8139.4175.1-9.38.9000111.9R298 K299 E352P296-R298 VanDerWaalsContact C-N 3.26Å; P296-R298 PolarHBondContact O-N 3.14Å; P296-R298 VanDerWaalsContact O-N 3.1Å; P296-K299 HydrophobicContact CG-CD 4.18Å; P296-K299 WeakPolarHBondContact O-CB 3.15Å; P296-K299 PolarHBondContact O-N 3.25Å; P296-E352 WeakPolarHBondContact CB-OE2 3.3Å; P296-E352 HydrophobicContact CG-CG 4.45Å; P296-E352 WeakPolarHBondContact CG-OE1 3.37Å
297L94.2Very high94.7Very high150 Ų15053.3 Ų53.379%0.78526%0.259SS*.Hα-helixtrans-50.5-42.4-175.9-178.260.9000113.3V295 K299 I300V295-L297 PolarHBondContact O-N 3.07Å; L297-K299 PolarHBondContact O-N 3.39Å; L297-I300 HydrophobicContact CD1-CG1 4.45Å; L297-I300 WeakPolarHBondContact O-CB 3.35Å; L297-I300 PolarHBondContact O-N 3.16Å
298R92.8Very high93.9Very high184 Ų18451.3 Ų51.369%0.69425%0.25SC*.Hα-helixtrans-60.1-17.3179.485.4-176.913194.83.9114.7P296P296-R298 VanDerWaalsContact C-N 3.26Å; P296-R298 PolarHBondContact O-N 3.14Å; P296-R298 VanDerWaalsContact O-N 3.1Å
299K93.6Very high92.7Very high67 Ų6753.8 Ų53.829%0.29127%0.265SS..Hα-helixtrans-97.8-14.4-179.4-68.8-174.5179.9178.10112.6V295 P296 L297 E301 R302 L303V295-K299 HydrophobicContact CG1-CB 3.72Å; V295-K299 HydrophobicContact CG1-CD 4.49Å; P296-K299 HydrophobicContact CG-CD 4.18Å; P296-K299 WeakPolarHBondContact O-CB 3.15Å; P296-K299 PolarHBondContact O-N 3.25Å; L297-K299 PolarHBondContact O-N 3.39Å; K299-E301 PolarHBondContact O-N 2.92Å; K299-R302 WeakPolarHBondContact O-CB 3.14Å; K299-R302 PolarHBondContact O-N 3.39Å; K299-R302 VanDerWaalsContact O-N 3.1Å; K299-L303 PolarHBondContact O-N 3.49Å
300I92.4Very high90.8Very high20 Ų2056.6 Ų56.610%0.10328%0.281CS..Hα-helixtrans-59.8-49.2-173.8-65.7-65.7000111.7V295 L297 R302 L303 L348V295-I300 HydrophobicContact CB-CD1 3.92Å; V295-I300 HydrophobicContact CG1-CD1 4.04Å; L297-I300 HydrophobicContact CD1-CG1 4.45Å; L297-I300 WeakPolarHBondContact O-CB 3.35Å; L297-I300 PolarHBondContact O-N 3.16Å; I300-R302 PolarHBondContact O-N 2.71Å; I300-L303 HydrophobicContact CD1-CD1 4.25Å; I300-L303 WeakPolarHBondContact O-CB 3.26Å; I300-L303 PolarHBondContact O-N 2.97Å; I300-L303 VanDerWaalsContact O-N 3.12Å; I300-L348 HydrophobicContact CG2-CB 4.33Å
301E90.5Very high89Confident170 Ų17056.3 Ų56.379%0.79428%0.281SS*.G310 helixtrans-62.5-34.2178-64.6-170.9160.700112.2K299 L303 F304K299-E301 PolarHBondContact O-N 2.92Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 3.22Å; E301-F304 PolarHBondContact O-N 2.94Å
302R91.2Very high86.9Confident118 Ų11857.7 Ų57.745%0.44530%0.299SS..G310 helixtrans-66.9-25.7178.9-59.9176.962.61756112.4K299 I300 F304 S305 Y308K299-R302 WeakPolarHBondContact O-CB 3.14Å; K299-R302 PolarHBondContact O-N 3.39Å; K299-R302 VanDerWaalsContact O-N 3.1Å; I300-R302 PolarHBondContact O-N 2.71Å; R302-F304 PolarHBondContact O-N 3.38Å; R302-S305 VanDerWaalsContact O-CB 3.3Å; R302-S305 WeakPolarHBondContact O-CB 3.41Å; R302-S305 PolarHBondContact O-N 3.21Å; R302-Y308 HydrophobicContact CB-CD1 3.63Å; R302-Y308 HydrophobicContact CB-CD2 4.44Å; R302-Y308 HydrophobicContact CB-CE1 3.85Å; R302-Y308 HydrophobicContact CB-CG 3.92Å; R302-Y308 WeakPolarHBondContact O-CB 3.3Å; R302-Y308 WeakPolarHBondContact O-CD1 3.45Å
303L93Very high84.9Confident29 Ų2960.1 Ų60.115%0.15231%0.314CS..G310 helixtrans-62.2-20.7176.1-62.6177.3000113V295 K299 I300 E301 Y308 T310 L332 L348V295-L303 HydrophobicContact CG1-CD1 4.34Å; V295-L303 HydrophobicContact CG2-CD1 4.46Å; K299-L303 PolarHBondContact O-N 3.49Å; I300-L303 HydrophobicContact CD1-CD1 4.25Å; I300-L303 WeakPolarHBondContact O-CB 3.26Å; I300-L303 PolarHBondContact O-N 2.97Å; I300-L303 VanDerWaalsContact O-N 3.12Å; E301-L303 VanDerWaalsContact C-N 3.25Å; E301-L303 PolarHBondContact O-N 3.22Å; L303-Y308 HydrophobicContact CD2-CE1 4.31Å; L303-T310 HydrophobicContact CD2-CG2 4.17Å; L303-L332 HydrophobicContact CB-CD1 4.06Å; L303-L348 HydrophobicContact CB-CD1 4.42Å; L303-L348 HydrophobicContact CD1-CD1 3.88Å
304F94.4Very high82.8Confident15 Ų1560.9 Ų60.97%0.06632%0.316CS..G310 helixtrans-95.93.3173.5-63.7-72.7000113.3Q152 E301 R302 L332 P333 R336 L346 L348Q152-F304 PolarHBondContact NE2-O 3.39Å; Q152-F304 VanDerWaalsContact NE2-O 3.15Å; E301-F304 PolarHBondContact O-N 2.94Å; R302-F304 PolarHBondContact O-N 3.38Å; F304-L332 HydrophobicContact CD1-CB 4.38Å; F304-L332 HydrophobicContact CE1-CB 4.39Å; F304-P333 WeakPolarHBondContact O-CB 3.23Å; F304-R336 HydrophobicContact CD1-CB 4.21Å; F304-R336 HydrophobicContact CE1-CB 3.95Å; F304-R336 HydrophobicContact CE1-CG 4.35Å; F304-L346 HydrophobicContact CE1-CD2 4Å; F304-L346 HydrophobicContact CZ-CD2 3.91Å; F304-L348 HydrophobicContact CE2-CD1 3.98Å; F304-L348 HydrophobicContact CE2-CG 4.17Å; F304-L348 HydrophobicContact CZ-CD1 3.81Å; F304-L348 HydrophobicContact CZ-CG 3.83Å
305S92.7Very high80Confident16 Ų1665.9 Ų65.911%0.11234%0.342CS..  trans-85.9127.9178.6179.50000111.3Q152 R302 M307 Y308Q152-S305 VanDerWaalsContact OE1-CA 3.25Å; R302-S305 VanDerWaalsContact O-CB 3.3Å; R302-S305 WeakPolarHBondContact O-CB 3.41Å; R302-S305 PolarHBondContact O-N 3.21Å; S305-M307 PolarHBondContact O-N 3.44Å; S305-Y308 PolarHBondContact O-N 2.97Å; S305-Y308 VanDerWaalsContact O-N 3.14Å; S305-Y308 VanDerWaalsContact O-O 3.13Å
306Y90.8Very high77.6Confident8 Ų872.6 Ų72.63%0.03137%0.371CS..THydrogen-bonded Turntrans-67.3-20.4-179.6-66.4-72.4000114.4Q152 L155 D156 Y159 Y330 P333 I334 L337Q152-Y306 VanDerWaalsContact NE2-CD2 3.29Å; Q152-Y306 VanDerWaalsContact NE2-CE2 3.29Å; Q152-Y306 VanDerWaalsContact OE1-CD2 3.32Å; L155-Y306 HydrophobicContact CB-CD2 3.38Å; L155-Y306 HydrophobicContact CB-CE2 3.36Å; L155-Y306 HydrophobicContact CB-CG 4.03Å; L155-Y306 VanDerWaalsContact CD1-CB 3.41Å; L155-Y306 HydrophobicContact CD1-CD1 4.3Å; L155-Y306 HydrophobicContact CD1-CD2 3.55Å; L155-Y306 HydrophobicContact CD1-CE2 4.37Å; L155-Y306 HydrophobicContact CD1-CG 3.5Å; L155-Y306 HydrophobicContact CG-CD2 4.12Å; L155-Y306 HydrophobicContact CG-CG 4.41Å; D156-Y306 WeakPolarHBondContact OD1-CE2 3.48Å; D156-Y306 PolarHBondContact OD1-OH 3.4Å; Y159-Y306 AromaticContact CD2-CE1 3.85Å; Y159-Y306 HydrophobicContact CD2-CE1 3.85Å; Y159-Y306 AromaticContact CD2-CZ 3.82Å; Y159-Y306 HydrophobicContact CE2-CD1 4.27Å; Y159-Y306 AromaticContact CE2-CE1 3.75Å; Y159-Y306 HydrophobicContact CE2-CE1 3.75Å; Y306-Y330 HydrophobicContact CD1-CD1 4.19Å; Y306-Y330 AromaticContact CD1-CD2 3.41Å; Y306-Y330 HydrophobicContact CD1-CD2 3.41Å; Y306-Y330 VanDerWaalsContact CD1-CD2 3.41Å; Y306-Y330 HydrophobicContact CD1-CE1 4.19Å; Y306-Y330 AromaticContact CD1-CE2 3.38Å; Y306-Y330 HydrophobicContact CD1-CE2 3.38Å; Y306-Y330 AromaticContact CD1-CG 3.82Å; Y306-Y330 HydrophobicContact CD1-CG 3.82Å; Y306-Y330 AromaticContact CD1-CZ 3.8Å; Y306-Y330 AromaticContact CE1-CD2 3.76Å; Y306-Y330 HydrophobicContact CE1-CD2 3.76Å; Y306-Y330 HydrophobicContact CE1-CE2 4.04Å; Y306-Y330 HydrophobicContact CE1-CG 4.31Å; Y306-Y330 HydrophobicContact CG-CE2 4.1Å; Y306-Y330 VanDerWaalsContact O-CE1 3.27Å; Y306-Y330 WeakPolarHBondContact O-CE1 3.38Å; Y306-P333 HydrophobicContact CD1-CB 4.17Å; Y306-P333 HydrophobicContact CD1-CG 3.76Å; Y306-P333 HydrophobicContact CE1-CB 3.57Å; Y306-P333 HydrophobicContact CE1-CG 3.53Å; Y306-P333 HydrophobicContact CE2-CB 4.31Å; Y306-I334 HydrophobicContact CE1-CG1 4.4Å; Y306-L337 WeakPolarHBondContact OH-CD1 3.31Å
307M85.1Confident75Confident21 Ų2174.7 Ų74.710%0.10338%0.384CS..THydrogen-bonded Turntrans-96.10.2177.3-65.5-169.6-176.700113.3V134 F137 K138 V143 N148 V151 S305V134-M307 HydrophobicContact CG1-CE 3.79Å; V134-M307 HydrophobicContact CG1-CG 3.76Å; V134-M307 HydrophobicContact CG1-SD 4.44Å; F137-M307 HydrophobicContact CD1-CE 4.44Å; K138-M307 PolarHBondContact NZ-O 2.95Å; V143-M307 HydrophobicContact CB-SD 4.14Å; V143-M307 HydrophobicContact CG1-CE 4.12Å; V143-M307 HydrophobicContact CG1-SD 3.66Å; V143-M307 HydrophobicContact CG2-CE 4.31Å; V143-M307 HydrophobicContact CG2-SD 3.76Å; N148-M307 HydrophobicContact CB-SD 4.39Å; N148-M307 PolarHBondContact OD1-SD 3.16Å; V151-M307 HydrophobicContact CB-CE 3.59Å; V151-M307 HydrophobicContact CG1-CE 3.49Å; V151-M307 VanDerWaalsContact CG1-CE 3.49Å; V151-M307 HydrophobicContact CG2-CE 3.83Å; S305-M307 PolarHBondContact O-N 3.44Å
308Y82.8Confident72.4Confident45 Ų4573.9 Ų73.918%0.17638%0.38CS..  trans-108.9125.9176.4-172.7-109.8000110.4R302 L303 S305 T310R302-Y308 HydrophobicContact CB-CD1 3.63Å; R302-Y308 HydrophobicContact CB-CD2 4.44Å; R302-Y308 HydrophobicContact CB-CE1 3.85Å; R302-Y308 HydrophobicContact CB-CG 3.92Å; R302-Y308 WeakPolarHBondContact O-CB 3.3Å; R302-Y308 WeakPolarHBondContact O-CD1 3.45Å; L303-Y308 HydrophobicContact CD2-CE1 4.31Å; S305-Y308 PolarHBondContact O-N 2.97Å; S305-Y308 VanDerWaalsContact O-N 3.14Å; S305-Y308 VanDerWaalsContact O-O 3.13Å; Y308-T310 HydrophobicContact CE1-CG2 4.04Å
309T74.4Confident70.1Confident57 Ų5772.4 Ų72.435%0.3538%0.383SS..  trans-132.9144.7173.21790000109.5A311T309-A311 WeakPolarHBondContact CG2-O 3.4Å; T309-A311 PolarHBondContact OG1-N 2.88Å; T309-A311 VanDerWaalsContact OG1-N 3.15Å; T309-A311 PolarHBondContact OG1-O 2.99Å
310T58.5Low67.6Low87 Ų8773.6 Ų73.653%0.53440%0.4SS..SBendtrans-95.9-2.8173.754.20000112.3L303 Y308L303-T310 HydrophobicContact CD2-CG2 4.17Å; Y308-T310 HydrophobicContact CE1-CG2 4.04Å
311A60.7Low65.1Low12 Ų1282.7 Ų82.710%0.09943%0.433CS..SBendtrans-111.3147.2177.300000111T309 A326T309-A311 WeakPolarHBondContact CG2-O 3.4Å; T309-A311 PolarHBondContact OG1-N 2.88Å; T309-A311 VanDerWaalsContact OG1-N 3.15Å; T309-A311 PolarHBondContact OG1-O 2.99Å; A311-A326 HydrophobicContact CB-CB 3.61Å
312P55Low62.8Low114 Ų11480.4 Ų80.474%0.7443%0.426SS*.  trans-57.3147.2170.623.9-31.2000110.4
313S54.4Low60.7Low59 Ų5978.2 Ų78.241%0.41343%0.433SS..  trans-55.5128.1177.1-1690000108.7V315S313-V315 WeakPolarHBondContact O-CG2 3.27Å; S313-V315 PolarHBondContact O-N 3.36Å
314P52.7Low58.8Low35 Ų3579.7 Ų79.723%0.22745%0.445CS..  trans-65.9102.5178.626.5-32000108.4H316 V317 F328P314-H316 PolarHBondContact O-N 3.38Å; P314-H316 VanDerWaalsContact O-N 3.1Å; P314-V317 HydrophobicContact CB-CG2 3.56Å; P314-V317 HydrophobicContact CG-CG2 3.75Å; P314-F328 HydrophobicContact CG-CE1 4.39Å
315V39.3Very low56.6Low124 Ų12480 Ų8075%0.75245%0.447SS*.THydrogen-bonded Turntrans-69.4107.7177-1650000106.4S313S313-V315 WeakPolarHBondContact O-CG2 3.27Å; S313-V315 PolarHBondContact O-N 3.36Å
316H44.5Very low54.8Low176 Ų17680.8 Ų80.882%0.81546%0.455SS*.THydrogen-bonded Turntrans60.877.8-179-57.1-65.9000115.2P314 D318P314-H316 PolarHBondContact O-N 3.38Å; P314-H316 VanDerWaalsContact O-N 3.1Å; H316-D318 PolarHBondContact O-N 3.03Å
317V43.2Very low53.5Low62 Ų6281.8 Ų81.838%0.37647%0.467SS..  trans-70102.2160.1-171.10000107.8P314 M319P314-V317 HydrophobicContact CB-CG2 3.56Å; P314-V317 HydrophobicContact CG-CG2 3.75Å; V317-M319 VanDerWaalsContact C-N 3.35Å; V317-M319 PolarHBondContact O-N 3Å
318D38.9Very low52.7Low132 Ų13283.9 Ų83.971%0.70648%0.476SS*.  trans-57.9103.8159.6-117.4-20.5000106.6H316 S320 R321H316-D318 PolarHBondContact O-N 3.03Å; D318-S320 PolarHBondContact O-N 3.46Å; D318-R321 PolarHBondContact O-N 3.13Å
319M43.7Very low52.7Low153 Ų15383 Ų8375%0.75448%0.48SS*.THydrogen-bonded Turntrans-63.38-172.1-65.3-153.3-164.500114.2V317V317-M319 VanDerWaalsContact C-N 3.35Å; V317-M319 PolarHBondContact O-N 3Å
320S41.9Very low53.6Low93 Ų9381 Ų8165%0.6547%0.467SS*.THydrogen-bonded Turntrans-115.1-13.8-172.363.50000114.8D318D318-S320 PolarHBondContact O-N 3.46Å
321R39.5Very low55.2Low210 Ų21077.6 Ų77.679%0.79245%0.449SS*.SBendtrans-145.2105-176.3-67.1-172.8176.7-179.5-1.6113.1D318D318-R321 PolarHBondContact O-N 3.13Å
322N42.2Very low56.8Low123 Ų12378 Ų7866%0.65845%0.449SS*.  trans74.7122.8166.3-54.6-15.3000116.5P324N322-P324 WeakPolarHBondContact O-CD 3.43Å
323A47Very low58.8Low72 Ų7272.6 Ų72.660%0.59541%0.414SS*.  trans-70.8119.7170.200000108.8
324P52.4Low60.8Low60 Ų6070.5 Ų70.539%0.3940%0.398SS..  trans-63.1153.8176.726.1-33.5000110.7N322 A326N322-P324 WeakPolarHBondContact O-CD 3.43Å; P324-A326 WeakPolarHBondContact CB-O 3.39Å; P324-A326 VanDerWaalsContact CG-O 3.31Å; P324-A326 WeakPolarHBondContact CG-O 3.26Å; P324-A326 PolarHBondContact O-N 3.38Å; P324-A326 VanDerWaalsContact O-N 3.15Å
325L49.5Very low63Low20 Ų2068.9 Ų68.911%0.10539%0.387CS..SBendtrans-57.2-31.6179.2-162.777.5000111.9L211 Y216 K254 R258L211-L325 HydrophobicContact CB-CD1 4.06Å; Y216-L325 HydrophobicContact CD2-CD2 4.16Å; Y216-L325 HydrophobicContact CE2-CD2 3.33Å; K254-L325 HydrophobicContact CB-CD1 4.25Å; K254-L325 HydrophobicContact CD-CD1 4.17Å; K254-L325 HydrophobicContact CG-CD1 3.99Å; R258-L325 HydrophobicContact CB-CD2 4.07Å
326A55.3Low65.8Low34 Ų3464.9 Ų64.928%0.28136%0.359SS..SBendtrans-121.4129.4169.500000111A311 P324A311-A326 HydrophobicContact CB-CB 3.61Å; P324-A326 WeakPolarHBondContact CB-O 3.39Å; P324-A326 VanDerWaalsContact CG-O 3.31Å; P324-A326 WeakPolarHBondContact CG-O 3.26Å; P324-A326 PolarHBondContact O-N 3.38Å; P324-A326 VanDerWaalsContact O-N 3.15Å
327G63.6Low68.4Low29 Ų2956.8 Ų56.830%0.29932%0.322SS..  trans-117.7-146.8179.400000112.8G329G327-G329 PolarHBondContact O-N 2.69Å
328F68.2Low71.1Confident65 Ų6555.2 Ų55.229%0.28531%0.309SS..SBendtrans-60.7-1.6-179-67.7-74.4000116.2P128 A131 P314 Y330P128-F328 HydrophobicContact CB-CE2 4.17Å; A131-F328 HydrophobicContact CB-CB 4.12Å; A131-F328 HydrophobicContact CB-CD1 4.27Å; A131-F328 HydrophobicContact CB-CD2 4.31Å; A131-F328 HydrophobicContact CB-CG 3.99Å; P314-F328 HydrophobicContact CG-CE1 4.39Å; F328-Y330 HydrophobicContact CB-CD1 3.82Å; F328-Y330 HydrophobicContact CB-CE1 4.29Å; F328-Y330 WeakPolarHBondContact O-CD1 3.33Å
329G82.8Confident73.9Confident26 Ų2649 Ų4927%0.26828%0.276SS..SBendtrans83.710.1-174.600000114.6G327G327-G329 PolarHBondContact O-N 2.69Å
330Y91.6Very high76.5Confident15 Ų1543.8 Ų43.86%0.05925%0.249CC..  trans-88.7-8.1-174.9-79.250.8000113.5A131 Y159 Y306 F328 P333 I334A131-Y330 HydrophobicContact CB-CD1 4.19Å; A131-Y330 HydrophobicContact CB-CD2 4.27Å; A131-Y330 HydrophobicContact CB-CE1 3.76Å; A131-Y330 HydrophobicContact CB-CE2 3.85Å; A131-Y330 HydrophobicContact CB-CG 4.45Å; Y159-Y330 AromaticContact CE2-CD2 3.72Å; Y159-Y330 HydrophobicContact CE2-CD2 3.72Å; Y159-Y330 AromaticContact CE2-CE2 3.66Å; Y159-Y330 HydrophobicContact CE2-CE2 3.66Å; Y159-Y330 AromaticContact CZ-CD2 3.89Å; Y159-Y330 AromaticContact CZ-CE2 3.81Å; Y159-Y330 WeakPolarHBondContact OH-CD2 3.32Å; Y159-Y330 WeakPolarHBondContact OH-CE2 3.38Å; Y306-Y330 HydrophobicContact CD1-CD1 4.19Å; Y306-Y330 AromaticContact CD1-CD2 3.41Å; Y306-Y330 HydrophobicContact CD1-CD2 3.41Å; Y306-Y330 VanDerWaalsContact CD1-CD2 3.41Å; Y306-Y330 HydrophobicContact CD1-CE1 4.19Å; Y306-Y330 AromaticContact CD1-CE2 3.38Å; Y306-Y330 HydrophobicContact CD1-CE2 3.38Å; Y306-Y330 AromaticContact CD1-CG 3.82Å; Y306-Y330 HydrophobicContact CD1-CG 3.82Å; Y306-Y330 AromaticContact CD1-CZ 3.8Å; Y306-Y330 AromaticContact CE1-CD2 3.76Å; Y306-Y330 HydrophobicContact CE1-CD2 3.76Å; Y306-Y330 HydrophobicContact CE1-CE2 4.04Å; Y306-Y330 HydrophobicContact CE1-CG 4.31Å; Y306-Y330 HydrophobicContact CG-CE2 4.1Å; Y306-Y330 VanDerWaalsContact O-CE1 3.27Å; Y306-Y330 WeakPolarHBondContact O-CE1 3.38Å; F328-Y330 HydrophobicContact CB-CD1 3.82Å; F328-Y330 HydrophobicContact CB-CE1 4.29Å; F328-Y330 WeakPolarHBondContact O-CD1 3.33Å; Y330-P333 WeakPolarHBondContact O-CD 3.43Å; Y330-P333 WeakPolarHBondContact O-CG 3.35Å; Y330-I334 HydrophobicContact CD2-CD1 4.32Å; Y330-I334 VanDerWaalsContact O-CB 3.26Å; Y330-I334 WeakPolarHBondContact O-CB 3.17Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 3.11Å
331G92.9Very high79.3Confident16 Ų1639.3 Ų39.317%0.16522%0.218CC..Hα-helixtrans-60.5-53.6-174.100000113.8E251 S335E251-G331 WeakPolarHBondContact OE2-CA 3.35Å; G331-S335 VanDerWaalsContact O-CB 3.28Å; G331-S335 WeakPolarHBondContact O-CB 3.36Å; G331-S335 PolarHBondContact O-N 3.25Å; G331-S335 PolarHBondContact O-OG 3.38Å
332L94.9Very high82.1Confident21 Ų2129.4 Ų29.411%0.1118%0.18CC..Hα-helixtrans-62.3-51.4178.6-75.3174.9000113.8L252 L303 F304 I334 S335 R336 L348L252-L332 HydrophobicContact CD2-CD2 3.72Å; L303-L332 HydrophobicContact CB-CD1 4.06Å; F304-L332 HydrophobicContact CD1-CB 4.38Å; F304-L332 HydrophobicContact CE1-CB 4.39Å; L332-I334 PolarHBondContact O-N 3.44Å; L332-S335 PolarHBondContact O-N 3.44Å; L332-R336 PolarHBondContact O-N 3.15Å; L332-L348 HydrophobicContact CD1-CD1 4.17Å; L332-L348 HydrophobicContact CD2-CD1 4.46Å
333P96.9Very high84.8Confident0 Ų027.2 Ų27.20%017%0.166CC..Hα-helixtrans-63.1-40.3179.121.7-31.4000112.6F304 Y306 Y330 R336 L337F304-P333 WeakPolarHBondContact O-CB 3.23Å; Y306-P333 HydrophobicContact CD1-CB 4.17Å; Y306-P333 HydrophobicContact CD1-CG 3.76Å; Y306-P333 HydrophobicContact CE1-CB 3.57Å; Y306-P333 HydrophobicContact CE1-CG 3.53Å; Y306-P333 HydrophobicContact CE2-CB 4.31Å; Y330-P333 WeakPolarHBondContact O-CD 3.43Å; Y330-P333 WeakPolarHBondContact O-CG 3.35Å; P333-R336 PolarHBondContact O-N 2.9Å; P333-L337 WeakPolarHBondContact O-CG 3.43Å; P333-L337 PolarHBondContact O-N 2.7Å
334I96.9Very high87.2Confident15 Ų1524.3 Ų24.38%0.07714%0.143CC..Hα-helixtrans-65.8-40.6175.8-68.1176.5000111.5V127 Y159 Y306 Y330 L332 R336 L337 Y338V127-I334 HydrophobicContact CG1-CD1 3.58Å; V127-I334 HydrophobicContact CG2-CD1 4.32Å; Y159-I334 HydrophobicContact CD2-CG1 4.39Å; Y306-I334 HydrophobicContact CE1-CG1 4.4Å; Y330-I334 HydrophobicContact CD2-CD1 4.32Å; Y330-I334 VanDerWaalsContact O-CB 3.26Å; Y330-I334 WeakPolarHBondContact O-CB 3.17Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 3.11Å; L332-I334 PolarHBondContact O-N 3.44Å; I334-R336 VanDerWaalsContact C-N 3.28Å; I334-R336 PolarHBondContact O-N 3.33Å; I334-L337 WeakPolarHBondContact O-CA 3.36Å; I334-L337 WeakPolarHBondContact O-CB 3.4Å; I334-L337 PolarHBondContact O-N 3.35Å; I334-Y338 HydrophobicContact CG2-CD2 3.78Å; I334-Y338 HydrophobicContact CG2-CE2 3.53Å; I334-Y338 WeakPolarHBondContact O-CD2 3.32Å; I334-Y338 PolarHBondContact O-N 3.3Å
335S98.4Very high89.4Confident0 Ų023.2 Ų23.20%013%0.134CC..Hα-helixtrans-58.7-41.3175-63.70000111.6M248 E251 G331 L332 L337 Y338 A339M248-S335 WeakPolarHBondContact CG-O 3.48Å; M248-S335 VanDerWaalsContact SD-O 3.36Å; E251-S335 WeakPolarHBondContact CB-OG 3.38Å; G331-S335 VanDerWaalsContact O-CB 3.28Å; G331-S335 WeakPolarHBondContact O-CB 3.36Å; G331-S335 PolarHBondContact O-N 3.25Å; G331-S335 PolarHBondContact O-OG 3.38Å; L332-S335 PolarHBondContact O-N 3.44Å; S335-L337 VanDerWaalsContact C-N 3.32Å; S335-L337 PolarHBondContact O-N 3.27Å; S335-Y338 PolarHBondContact O-N 3.26Å; S335-A339 PolarHBondContact O-N 3.46Å; S335-A339 VanDerWaalsContact O-N 3.12Å
336R98.6Very high91.8Very high41 Ų4122.3 Ų22.316%0.15513%0.13CC..Hα-helixtrans-63.5-36.6173.9-171.9178.668.8176.42.5112.5D156 F304 L332 P333 I334 A339 K340 L346D156-R336 IonicContact OD1-NH2 3.22Å; D156-R336 IonicContact OD2-NH2 2.76Å; F304-R336 HydrophobicContact CD1-CB 4.21Å; F304-R336 HydrophobicContact CE1-CB 3.95Å; F304-R336 HydrophobicContact CE1-CG 4.35Å; L332-R336 PolarHBondContact O-N 3.15Å; P333-R336 PolarHBondContact O-N 2.9Å; I334-R336 VanDerWaalsContact C-N 3.28Å; I334-R336 PolarHBondContact O-N 3.33Å; R336-A339 PolarHBondContact O-N 2.99Å; R336-K340 HydrophobicContact CG-CD 4.27Å; R336-K340 WeakPolarHBondContact O-CB 3.42Å; R336-K340 WeakPolarHBondContact O-CG 3.39Å; R336-K340 PolarHBondContact O-N 2.87Å; R336-L346 HydrophobicContact CB-CB 4.04Å; R336-L346 HydrophobicContact CG-CB 4.08Å
337L98.8Very high93.8Very high6 Ų623.7 Ų23.73%0.03113%0.13CC..Hα-helixtrans-65.9-40.1174.1-62.8178.2000112.1D156 Y159 M160 I163 Y306 P333 I334 S335 A339 K340 Y341D156-L337 HydrophobicContact CB-CD2 4.13Å; D156-L337 WeakPolarHBondContact O-CD1 3.3Å; Y159-L337 VanDerWaalsContact CB-CD1 3.43Å; Y159-L337 HydrophobicContact CG-CD1 4.48Å; M160-L337 HydrophobicContact CE-CB 4.25Å; M160-L337 HydrophobicContact CE-CD2 3.86Å; I163-L337 HydrophobicContact CD1-CB 3.93Å; Y306-L337 WeakPolarHBondContact OH-CD1 3.31Å; P333-L337 WeakPolarHBondContact O-CG 3.43Å; P333-L337 PolarHBondContact O-N 2.7Å; I334-L337 WeakPolarHBondContact O-CA 3.36Å; I334-L337 WeakPolarHBondContact O-CB 3.4Å; I334-L337 PolarHBondContact O-N 3.35Å; S335-L337 VanDerWaalsContact C-N 3.32Å; S335-L337 PolarHBondContact O-N 3.27Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.07Å; L337-K340 PolarHBondContact O-N 2.78Å; L337-Y341 WeakPolarHBondContact O-CB 3.5Å; L337-Y341 PolarHBondContact O-N 3.15Å
338Y98.7Very high95.4Very high29 Ų2923.3 Ų23.311%0.11412%0.121CC..Hα-helixtrans-60.1-39.5174-82.1-69.6000112.5I163 H244 H247 I334 S335I163-Y338 HydrophobicContact CD1-CD1 3.97Å; I163-Y338 HydrophobicContact CD1-CD2 4.24Å; I163-Y338 HydrophobicContact CD1-CE1 4Å; I163-Y338 HydrophobicContact CD1-CE2 4.29Å; I163-Y338 HydrophobicContact CD1-CG 4.09Å; I163-Y338 HydrophobicContact CG1-CD1 4.26Å; I163-Y338 HydrophobicContact CG1-CE1 3.83Å; I163-Y338 HydrophobicContact CG2-CD1 4.08Å; I163-Y338 HydrophobicContact CG2-CE1 3.95Å; H244-Y338 HydrophobicContact CB-CD1 3.92Å; H244-Y338 HydrophobicContact CB-CE1 4.47Å; H244-Y338 AromaticContact CD2-CD1 3.85Å; H244-Y338 AromaticContact CD2-CE1 3.59Å; H244-Y338 AromaticContact CG-CD1 3.59Å; H244-Y338 AromaticContact CG-CE1 3.85Å; H244-Y338 AromaticContact ND1-CD1 3.77Å; H244-Y338 AromaticContact NE2-CE1 3.77Å; H247-Y338 AromaticContact CD2-CD2 3.36Å; H247-Y338 WeakPolarHBondContact CD2-CD2 3.41Å; H247-Y338 AromaticContact CD2-CE2 3.25Å; H247-Y338 WeakPolarHBondContact CD2-CE2 3.36Å; H247-Y338 AromaticContact CG-CE2 3.89Å; H247-Y338 AromaticContact NE2-CD2 4Å; H247-Y338 AromaticContact NE2-CE2 3.63Å; I334-Y338 HydrophobicContact CG2-CD2 3.78Å; I334-Y338 HydrophobicContact CG2-CE2 3.53Å; I334-Y338 WeakPolarHBondContact O-CD2 3.32Å; I334-Y338 PolarHBondContact O-N 3.3Å; S335-Y338 PolarHBondContact O-N 3.26Å
339A98.7Very high96.8Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-65-49.1173.700000111.2M248 S335 R336 L337 Y341 G344 D345 L346 I360M248-A339 HydrophobicContact SD-CB 3.63Å; M248-A339 PolarHBondContact SD-N 3.21Å; S335-A339 PolarHBondContact O-N 3.46Å; S335-A339 VanDerWaalsContact O-N 3.12Å; R336-A339 PolarHBondContact O-N 2.99Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.07Å; A339-Y341 PolarHBondContact O-N 3.1Å; A339-G344 CarbonylContact O-C 3.57Å; A339-G344 WeakPolarHBondContact O-CA 3.11Å; A339-G344 PolarHBondContact O-N 3.37Å; A339-D345 VanDerWaalsContact CB-C 3.49Å; A339-L346 HydrophobicContact CB-CB 4.19Å; A339-I360 HydrophobicContact CB-CG2 4.47Å
340K98.8Very high97.5Very high44 Ų4426 Ų2619%0.19113%0.127CC..Hα-helixtrans-65.7-23.1-179.2-75.1-176.4179.1-173.60114.2M160 R336 L337 F342 Q343 G344 D345 R372M160-K340 HydrophobicContact CE-CB 3.82Å; R336-K340 HydrophobicContact CG-CD 4.27Å; R336-K340 WeakPolarHBondContact O-CB 3.42Å; R336-K340 WeakPolarHBondContact O-CG 3.39Å; R336-K340 PolarHBondContact O-N 2.87Å; L337-K340 PolarHBondContact O-N 2.78Å; K340-F342 VanDerWaalsContact C-N 3.27Å; K340-F342 PolarHBondContact O-N 3.31Å; K340-Q343 PolarHBondContact O-N 3.07Å; K340-G344 WeakPolarHBondContact CA-O 3.48Å; K340-D345 WeakPolarHBondContact CE-OD1 3.44Å; K340-D345 IonicContact NZ-OD1 3.58Å; K340-R372 VanDerWaalsContact O-CB 3.31Å; K340-R372 WeakPolarHBondContact O-CB 3.49Å
341Y98.8Very high97.8Very high0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-59.5-36.7-176177.7-120.5000112.6M160 I163 S164 M167 L337 A339 E371 R372 L373M160-Y341 HydrophobicContact SD-CD2 3.76Å; M160-Y341 HydrophobicContact SD-CG 4.27Å; I163-Y341 HydrophobicContact CG2-CD1 3.77Å; I163-Y341 HydrophobicContact CG2-CD2 4.02Å; I163-Y341 HydrophobicContact CG2-CE1 3.99Å; I163-Y341 HydrophobicContact CG2-CE2 4.23Å; I163-Y341 HydrophobicContact CG2-CG 3.78Å; S164-Y341 WeakPolarHBondContact CA-OH 3.38Å; M167-Y341 HydrophobicContact CB-CE1 4.31Å; M167-Y341 VanDerWaalsContact CB-OH 3.27Å; M167-Y341 WeakPolarHBondContact CB-OH 3.46Å; M167-Y341 HydrophobicContact CG-CE1 4.27Å; M167-Y341 WeakPolarHBondContact CG-OH 3.28Å; L337-Y341 WeakPolarHBondContact O-CB 3.5Å; L337-Y341 PolarHBondContact O-N 3.15Å; A339-Y341 PolarHBondContact O-N 3.1Å; Y341-E371 HydrophobicContact CE1-CG 4.49Å; Y341-E371 HydrophobicContact CE2-CB 4.23Å; Y341-E371 HydrophobicContact CE2-CG 3.87Å; Y341-E371 CarbonylContact O-C 3.52Å; Y341-E371 VanDerWaalsContact O-CA 3.3Å; Y341-E371 WeakPolarHBondContact O-CA 3.35Å; Y341-E371 WeakPolarHBondContact OH-CG 3.45Å; Y341-E371 PolarHBondContact OH-OE1 3.08Å; Y341-R372 PolarHBondContact O-N 3.47Å; Y341-L373 HydrophobicContact CE2-CD2 4.26Å
342F98.7Very high98Very high1 Ų136.6 Ų36.60%0.00417%0.174CC..THydrogen-bonded Turntrans-112.446.4173.9-70.8-60.7000112.2M33 M167 Y240 V241 K340 G344 S369 E371M33-F342 HydrophobicContact CE-CD2 3.55Å; M33-F342 HydrophobicContact CE-CE2 3.48Å; M33-F342 VanDerWaalsContact CE-CE2 3.48Å; M33-F342 HydrophobicContact CE-CG 4.17Å; M33-F342 HydrophobicContact CE-CZ 4.03Å; M33-F342 HydrophobicContact CG-CD1 4.05Å; M33-F342 HydrophobicContact CG-CE1 3.86Å; M33-F342 HydrophobicContact CG-CE2 4.35Å; M33-F342 HydrophobicContact CG-CG 4.37Å; M33-F342 HydrophobicContact CG-CZ 4.01Å; M33-F342 HydrophobicContact SD-CD2 4.35Å; M33-F342 HydrophobicContact SD-CG 4.39Å; M167-F342 HydrophobicContact CE-CZ 4.34Å; Y240-F342 HydrophobicContact CE2-CD2 4.39Å; V241-F342 HydrophobicContact CG2-CE2 4.33Å; K340-F342 VanDerWaalsContact C-N 3.27Å; K340-F342 PolarHBondContact O-N 3.31Å; F342-G344 PolarHBondContact O-N 3.04Å; F342-G344 VanDerWaalsContact O-N 3.15Å; F342-S369 WeakPolarHBondContact CD1-O 3.28Å; F342-E371 HydrophobicContact CE1-CG 3.98Å
343Q98.4Very high98.1Very high78 Ų7839 Ų3936%0.36420%0.203SC..THydrogen-bonded Turntrans61.518176.2-47.9-54.9-36.300115.9K340 K363 V370K340-Q343 PolarHBondContact O-N 3.07Å; Q343-K363 HydrophobicContact CB-CG 4.19Å; Q343-V370 HydrophobicContact CG-CB 4.39Å; Q343-V370 WeakPolarHBondContact CG-O 3.39Å; Q343-V370 PolarHBondContact NE2-O 2.93Å
344G98.6Very high98.1Very high11 Ų1144.9 Ų44.911%0.11323%0.227CC..  trans-85.6-166.4169.600000113.3A339 K340 F342 Y361A339-G344 CarbonylContact O-C 3.57Å; A339-G344 WeakPolarHBondContact O-CA 3.11Å; A339-G344 PolarHBondContact O-N 3.37Å; K340-G344 WeakPolarHBondContact CA-O 3.48Å; F342-G344 PolarHBondContact O-N 3.04Å; F342-G344 VanDerWaalsContact O-N 3.15Å; G344-Y361 CarbonylContact C-O 3.54Å; G344-Y361 WeakPolarHBondContact CA-O 3.41Å
345D98.6Very high98.2Very high36 Ų3644.3 Ų44.319%0.19322%0.224CC..EExtended strand (participates in β ladder)trans-156.5163.3170.5-16013.8000111.8A339 K340 Q347 I360 Y361A339-D345 VanDerWaalsContact CB-C 3.49Å; K340-D345 WeakPolarHBondContact CE-OD1 3.44Å; K340-D345 IonicContact NZ-OD1 3.58Å; D345-Q347 PolarHBondContact OD2-NE2 3.35Å; D345-I360 WeakPolarHBondContact O-CA 3.49Å; D345-Y361 HydrophobicContact CB-CD2 4.46Å; D345-Y361 PolarHBondContact N-O 2.98Å; D345-Y361 PolarHBondContact O-N 3.48Å
346L98.8Very high98.2Very high2 Ų245.1 Ų45.11%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-128.6120.6171-171.7167.2000109.2L252 F304 R336 A339 L348 V359 I360L252-L346 HydrophobicContact CD1-CD1 4.25Å; L252-L346 HydrophobicContact CD2-CD1 4.31Å; L252-L346 HydrophobicContact CD2-CD2 4.48Å; L252-L346 HydrophobicContact CG-CD1 4.46Å; F304-L346 HydrophobicContact CE1-CD2 4Å; F304-L346 HydrophobicContact CZ-CD2 3.91Å; R336-L346 HydrophobicContact CB-CB 4.04Å; R336-L346 HydrophobicContact CG-CB 4.08Å; A339-L346 HydrophobicContact CB-CB 4.19Å; L346-L348 HydrophobicContact CD2-CD2 4.34Å; L346-L348 HydrophobicContact CD2-CG 4.38Å; L346-V359 WeakPolarHBondContact CA-O 3.35Å; L346-I360 HydrophobicContact CD1-CG1 4.29Å; L346-I360 HydrophobicContact CG-CG1 4.26Å
347Q98.4Very high98.2Very high63 Ų6344.2 Ų44.229%0.29423%0.229SC..EExtended strand (participates in β ladder)trans-123147.4-175.9-63.2177.8-4.800111.3D345 Y349 A358 V359 Y361D345-Q347 PolarHBondContact OD2-NE2 3.35Å; Q347-Y349 HydrophobicContact CB-CE2 3.91Å; Q347-Y349 PolarHBondContact OE1-OH 3Å; Q347-A358 CarbonylContact O-C 3.59Å; Q347-A358 WeakPolarHBondContact O-CA 3.23Å; Q347-V359 PolarHBondContact N-O 3.19Å; Q347-V359 PolarHBondContact O-N 2.74Å; Q347-Y361 HydrophobicContact CG-CE2 4.4Å
348L98Very high98.2Very high20 Ų2044.3 Ų44.311%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-119.7132.7178.4-65.9177.8000109.8I300 L303 F304 L332 L346 T356 S357 A358I300-L348 HydrophobicContact CG2-CB 4.33Å; L303-L348 HydrophobicContact CB-CD1 4.42Å; L303-L348 HydrophobicContact CD1-CD1 3.88Å; F304-L348 HydrophobicContact CE2-CD1 3.98Å; F304-L348 HydrophobicContact CE2-CG 4.17Å; F304-L348 HydrophobicContact CZ-CD1 3.81Å; F304-L348 HydrophobicContact CZ-CG 3.83Å; L332-L348 HydrophobicContact CD1-CD1 4.17Å; L332-L348 HydrophobicContact CD2-CD1 4.46Å; L346-L348 HydrophobicContact CD2-CD2 4.34Å; L346-L348 HydrophobicContact CD2-CG 4.38Å; L348-T356 HydrophobicContact CD2-CG2 4.44Å; L348-S357 WeakPolarHBondContact CA-O 3.42Å; L348-A358 HydrophobicContact CD2-CB 3.45Å; L348-A358 VanDerWaalsContact CD2-CB 3.45Å
349Y97.7Very high98.2Very high118 Ų11843.3 Ų43.346%0.46323%0.228SC..EExtended strand (participates in β ladder)trans-129.3118.8175-54.9-83.8000108.2Q347 S357 V359Q347-Y349 HydrophobicContact CB-CE2 3.91Å; Q347-Y349 PolarHBondContact OE1-OH 3Å; Y349-S357 PolarHBondContact N-O 3.04Å; Y349-S357 PolarHBondContact O-N 3.3Å; Y349-V359 HydrophobicContact CD2-CG2 4.14Å; Y349-V359 HydrophobicContact CE2-CG2 4.01Å
350S97.2Very high98.2Very high30 Ų3043.3 Ų43.321%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-124.3146.5-176.1-158.70000111.6G294 V295 G355 T356G294-S350 WeakPolarHBondContact CA-OG 3.33Å; V295-S350 PolarHBondContact N-OG 2.88Å; S350-G355 PolarHBondContact OG-O 3.25Å; S350-T356 PolarHBondContact OG-OG1 2.95Å
351M97.7Very high98.2Very high117 Ų11744.5 Ų44.558%0.57623%0.231SC*.EExtended strand (participates in β ladder)trans-115.8104.8171.6-64.9-177.5-71.100107.1G353 Y354 G355M351-G353 PolarHBondContact O-N 3.5Å; M351-Y354 HydrophobicContact CE-CD1 3.5Å; M351-Y354 HydrophobicContact CE-CE1 3.86Å; M351-Y354 HydrophobicContact CE-CG 4.31Å; M351-Y354 PolarHBondContact O-N 3.33Å; M351-G355 PolarHBondContact N-O 3.1Å; M351-G355 PolarHBondContact O-N 2.99Å; M351-G355 VanDerWaalsContact O-N 3.09Å
352E97.6Very high98.2Very high137 Ų13744.7 Ų44.764%0.6423%0.232SC*.THydrogen-bonded Turntrans-57.1129.7178.4-175.6176.2-164.400110.4P296P296-E352 WeakPolarHBondContact CB-OE2 3.3Å; P296-E352 HydrophobicContact CG-CG 4.45Å; P296-E352 WeakPolarHBondContact CG-OE1 3.37Å
353G96.3Very high98.2Very high71 Ų7146.9 Ų46.973%0.73224%0.242SC*.THydrogen-bonded Turntrans87.5-2.5-172.600000115G293 M351G293-G353 CarbonylContact O-C 3.55Å; G293-G353 WeakPolarHBondContact O-CA 3.49Å; G293-G353 PolarHBondContact O-N 3.06Å; M351-G353 PolarHBondContact O-N 3.5Å
354Y97.5Very high98.1Very high124 Ų12444.1 Ų44.149%0.48623%0.233SC..BIsolated β-bridgetrans-128.2-63-179.3-175.9-94.5000113.6K291 G293 M351K291-Y354 CarbonylContact C-O 3.57Å; K291-Y354 VanDerWaalsContact CA-O 3.27Å; K291-Y354 WeakPolarHBondContact CA-O 3.21Å; K291-Y354 WeakPolarHBondContact CE-OH 3.4Å; K291-Y354 HydrophobicContact CG-CE1 4.42Å; G293-Y354 PolarHBondContact N-O 2.94Å; G293-Y354 PolarHBondContact O-N 3.15Å; M351-Y354 HydrophobicContact CE-CD1 3.5Å; M351-Y354 HydrophobicContact CE-CE1 3.86Å; M351-Y354 HydrophobicContact CE-CG 4.31Å; M351-Y354 PolarHBondContact O-N 3.33Å
355G97.9Very high97.9Very high2 Ų246.7 Ų46.72%0.02124%0.243CC..EExtended strand (participates in β ladder)trans168178.5-17200000113.9S350 M351S350-G355 PolarHBondContact OG-O 3.25Å; M351-G355 PolarHBondContact N-O 3.1Å; M351-G355 PolarHBondContact O-N 2.99Å; M351-G355 VanDerWaalsContact O-N 3.09Å
356T98.6Very high97.8Very high18 Ų1846.4 Ų46.411%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-122.2144.6-176.4-53.60000111.7S289 D290 L348 S350S289-T356 WeakPolarHBondContact CA-O 3.41Å; D290-T356 PolarHBondContact N-O 3.43Å; D290-T356 PolarHBondContact OD1-N 3.02Å; L348-T356 HydrophobicContact CD2-CG2 4.44Å; S350-T356 PolarHBondContact OG-OG1 2.95Å
357S98.5Very high97.6Very high21 Ų2149.6 Ų49.615%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-114.2121.5168.5-70.10000110K287 M288 S289 L348 Y349K287-S357 WeakPolarHBondContact CE-OG 3.32Å; M288-S357 CarbonylContact O-C 3.59Å; M288-S357 VanDerWaalsContact O-CA 3.24Å; M288-S357 WeakPolarHBondContact O-CA 3.48Å; S289-S357 PolarHBondContact OG-OG 2.86Å; L348-S357 WeakPolarHBondContact CA-O 3.42Å; Y349-S357 PolarHBondContact N-O 3.04Å; Y349-S357 PolarHBondContact O-N 3.3Å
358A98.8Very high97.5Very high8 Ų850 Ų507%0.06627%0.269CS..EExtended strand (participates in β ladder)trans-102.513616900000109.9L252 K287 M288 Q347 L348L252-A358 HydrophobicContact CD1-CB 3.81Å; L252-A358 HydrophobicContact CD2-CB 3.69Å; L252-A358 HydrophobicContact CG-CB 4.31Å; K287-A358 CarbonylContact C-O 3.5Å; K287-A358 WeakPolarHBondContact CA-O 3.48Å; M288-A358 PolarHBondContact N-O 3.38Å; M288-A358 PolarHBondContact O-N 2.88Å; Q347-A358 CarbonylContact O-C 3.59Å; Q347-A358 WeakPolarHBondContact O-CA 3.23Å; L348-A358 HydrophobicContact CD2-CB 3.45Å; L348-A358 VanDerWaalsContact CD2-CB 3.45Å
359V98.8Very high97.5Very high9 Ų949.1 Ų49.16%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-127.4120-179-169.60000109.6T285 I286 K287 L346 Q347 Y349 Y361T285-V359 HydrophobicContact CG2-CG1 3.39Å; I286-V359 CarbonylContact O-C 3.35Å; I286-V359 WeakPolarHBondContact O-CA 3.31Å; K287-V359 HydrophobicContact CB-CG2 4.31Å; K287-V359 HydrophobicContact CD-CG2 4.47Å; K287-V359 HydrophobicContact CG-CG2 4.13Å; L346-V359 WeakPolarHBondContact CA-O 3.35Å; Q347-V359 PolarHBondContact N-O 3.19Å; Q347-V359 PolarHBondContact O-N 2.74Å; Y349-V359 HydrophobicContact CD2-CG2 4.14Å; Y349-V359 HydrophobicContact CE2-CG2 4.01Å; V359-Y361 HydrophobicContact CB-CE2 4.01Å; V359-Y361 HydrophobicContact CG1-CD1 4.45Å; V359-Y361 HydrophobicContact CG1-CD2 4.12Å; V359-Y361 HydrophobicContact CG1-CE1 3.92Å; V359-Y361 HydrophobicContact CG1-CE2 3.55Å; V359-Y361 VanDerWaalsContact CG1-CZ 3.44Å
360I98.9Very high97.6Very high0 Ų045.8 Ų45.80%026%0.256CS..EExtended strand (participates in β ladder)trans-96.7127169.5-57.4173.1000107.6M248 L249 L252 T285 I286 A339 D345 L346 L362M248-I360 HydrophobicContact CB-CD1 3.75Å; M248-I360 HydrophobicContact CE-CD1 4.48Å; M248-I360 HydrophobicContact CE-CG2 4.08Å; M248-I360 HydrophobicContact SD-CD1 4.43Å; M248-I360 HydrophobicContact SD-CG2 4.22Å; L249-I360 HydrophobicContact CD2-CD1 4.02Å; L249-I360 HydrophobicContact CG-CD1 4.32Å; L252-I360 HydrophobicContact CD1-CD1 3.82Å; L252-I360 HydrophobicContact CD1-CG1 3.94Å; T285-I360 CarbonylContact C-O 3.51Å; T285-I360 WeakPolarHBondContact CA-O 3.43Å; I286-I360 HydrophobicContact CB-CB 4.37Å; I286-I360 PolarHBondContact N-O 3.29Å; I286-I360 PolarHBondContact O-N 3.1Å; A339-I360 HydrophobicContact CB-CG2 4.47Å; D345-I360 WeakPolarHBondContact O-CA 3.49Å; L346-I360 HydrophobicContact CD1-CG1 4.29Å; L346-I360 HydrophobicContact CG-CG1 4.26Å; I360-L362 HydrophobicContact CG2-CD1 4.45Å; I360-L362 HydrophobicContact CG2-CD2 3.91Å; I360-L362 HydrophobicContact CG2-CG 3.92Å
361Y98.8Very high97.6Very high69 Ų6944.6 Ų44.627%0.27125%0.247SC..EExtended strand (participates in β ladder)trans-108.5128.6170.3-61.4-83.6000109T285 G344 D345 Q347 V359T285-Y361 HydrophobicContact CG2-CD1 3.95Å; T285-Y361 HydrophobicContact CG2-CE1 3.77Å; G344-Y361 CarbonylContact C-O 3.54Å; G344-Y361 WeakPolarHBondContact CA-O 3.41Å; D345-Y361 HydrophobicContact CB-CD2 4.46Å; D345-Y361 PolarHBondContact N-O 2.98Å; D345-Y361 PolarHBondContact O-N 3.48Å; Q347-Y361 HydrophobicContact CG-CE2 4.4Å; V359-Y361 HydrophobicContact CB-CE2 4.01Å; V359-Y361 HydrophobicContact CG1-CD1 4.45Å; V359-Y361 HydrophobicContact CG1-CD2 4.12Å; V359-Y361 HydrophobicContact CG1-CE1 3.92Å; V359-Y361 HydrophobicContact CG1-CE2 3.55Å; V359-Y361 VanDerWaalsContact CG1-CZ 3.44Å
362L98.7Very high97.7Very high3 Ų344.8 Ų44.82%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-128.6151.8174.1-56.5179.9000109.3I238 Y240 L245 M248 D283 L284 I360I238-L362 HydrophobicContact CD1-CD1 4.25Å; Y240-L362 HydrophobicContact CD1-CD1 4.34Å; Y240-L362 HydrophobicContact CD2-CD1 4.3Å; Y240-L362 HydrophobicContact CE1-CD1 3.97Å; Y240-L362 HydrophobicContact CE2-CD1 3.94Å; Y240-L362 HydrophobicContact CE2-CD2 4.02Å; Y240-L362 HydrophobicContact CE2-CG 4.39Å; Y240-L362 VanDerWaalsContact OH-CD2 3.29Å; Y240-L362 WeakPolarHBondContact OH-CD2 3.45Å; L245-L362 HydrophobicContact CD1-CD1 4.18Å; M248-L362 HydrophobicContact CE-CD2 4.25Å; D283-L362 WeakPolarHBondContact CA-O 3.42Å; L284-L362 HydrophobicContact CB-CB 4.32Å; L284-L362 HydrophobicContact CD2-CD1 4.14Å; L284-L362 PolarHBondContact N-O 2.61Å; L284-L362 PolarHBondContact O-N 3.32Å; I360-L362 HydrophobicContact CG2-CD1 4.45Å; I360-L362 HydrophobicContact CG2-CD2 3.91Å; I360-L362 HydrophobicContact CG2-CG 3.92Å
363K98.1Very high97.7Very high47 Ų4739.8 Ų39.820%0.20422%0.218CC..EExtended strand (participates in β ladder)trans-70.7131.1171.8-65.7-60.7-178.5-176.80110.8D283 Q343 L365 E368D283-K363 IonicContact OD1-NZ 3.42Å; Q343-K363 HydrophobicContact CB-CG 4.19Å; K363-L365 VanDerWaalsContact C-N 3.33Å; K363-E368 HydrophobicContact CB-CB 4.37Å; K363-E368 HydrophobicContact CD-CB 4.35Å; K363-E368 HydrophobicContact CG-CB 4.26Å
364A95.9Very high97.8Very high21 Ų2136.9 Ų36.917%0.17419%0.187CC..SBendtrans-74-26.7176.400000112.2L279 E282L279-A364 HydrophobicContact CD1-CB 3.8Å; E282-A364 WeakPolarHBondContact O-CB 3.35Å; E282-A364 PolarHBondContact O-N 3.12Å
365L95.8Very high97.8Very high64 Ų6432.9 Ų32.934%0.33518%0.175SC..SBendtrans-103.9123.5-177.3-58178.5000111.3K363 S367 E368 S369K363-L365 VanDerWaalsContact C-N 3.33Å; L365-S367 PolarHBondContact O-N 2.82Å; L365-S367 VanDerWaalsContact O-N 3.15Å; L365-E368 HydrophobicContact CB-CG 4.3Å; L365-E368 PolarHBondContact O-N 3.05Å; L365-S369 PolarHBondContact O-N 2.96Å; L365-S369 PolarHBondContact O-OG 3.12Å
366S95.4Very high97.8Very high31 Ų3134.2 Ų34.222%0.21718%0.181CC..THydrogen-bonded Turntrans-63.6-20.9-178.860.60000114.5K34 E368K34-S366 PolarHBondContact N-O 2.9Å; S366-E368 VanDerWaalsContact C-N 3.32Å
367S96Very high97.6Very high68 Ų6836.8 Ų36.848%0.47619%0.193SC..THydrogen-bonded Turntrans-71.1-26.6173.3490000113.1L365L365-S367 PolarHBondContact O-N 2.82Å; L365-S367 VanDerWaalsContact O-N 3.15Å
368E96.3Very high97.4Very high73 Ų7343.6 Ų43.634%0.34122%0.221SC..THydrogen-bonded Turntrans-95.8-17.6179.2-62.3-178.5-173.400112.4K363 L365 S366 V370K363-E368 HydrophobicContact CB-CB 4.37Å; K363-E368 HydrophobicContact CD-CB 4.35Å; K363-E368 HydrophobicContact CG-CB 4.26Å; L365-E368 HydrophobicContact CB-CG 4.3Å; L365-E368 PolarHBondContact O-N 3.05Å; S366-E368 VanDerWaalsContact C-N 3.32Å; E368-V370 PolarHBondContact O-N 2.78Å
369S97.6Very high97.2Very high1 Ų146.3 Ų46.31%0.00724%0.239CC..  trans-7171171.5-52.20000111.3S32 M33 F342 L365S32-S369 CarbonylContact C-O 3.46Å; S32-S369 VanDerWaalsContact CA-O 3.3Å; S32-S369 WeakPolarHBondContact CA-O 3.13Å; M33-S369 PolarHBondContact N-O 3.39Å; F342-S369 WeakPolarHBondContact CD1-O 3.28Å; L365-S369 PolarHBondContact O-N 2.96Å; L365-S369 PolarHBondContact O-OG 3.12Å
370V98.4Very high97Very high47 Ų4746 Ų4629%0.28524%0.237SC..BIsolated β-bridgetrans-94.5139.4179.9-176.70000111P30 Q343 E368 R372P30-V370 HydrophobicContact CB-CG1 4Å; Q343-V370 HydrophobicContact CG-CB 4.39Å; Q343-V370 WeakPolarHBondContact CG-O 3.39Å; Q343-V370 PolarHBondContact NE2-O 2.93Å; E368-V370 PolarHBondContact O-N 2.78Å; V370-R372 PolarHBondContact O-N 3.4Å
371E98.8Very high96.7Very high5 Ų547.6 Ų47.62%0.02325%0.245CC..  trans-53.4129.7173.3-75.4179.9123.700112.1P30 L31 F36 R60 Y341 F342 L373P30-E371 HydrophobicContact CB-CB 3.99Å; P30-E371 WeakPolarHBondContact CB-O 3.29Å; L31-E371 WeakPolarHBondContact CB-OE2 3.27Å; L31-E371 PolarHBondContact N-OE2 3.37Å; L31-E371 VanDerWaalsContact O-CG 3.32Å; L31-E371 WeakPolarHBondContact O-CG 3.27Å; L31-E371 PolarHBondContact O-N 2.96Å; F36-E371 HydrophobicContact CE2-CG 4.36Å; R60-E371 IonicContact CZ-OE1 2.72Å; R60-E371 IonicContact CZ-OE2 3.86Å; R60-E371 IonicContact NH1-OE1 3.26Å; R60-E371 PolarHBondContact NH1-OE1 3.04Å; R60-E371 IonicContact NH1-OE2 3.57Å; R60-E371 IonicContact NH2-OE1 3.6Å; R60-E371 PolarHBondContact NH2-OE1 2.7Å; R60-E371 IonicContact NH2-OE2 3.39Å; R60-E371 PolarHBondContact NH2-OE2 3.24Å; Y341-E371 HydrophobicContact CE1-CG 4.49Å; Y341-E371 HydrophobicContact CE2-CB 4.23Å; Y341-E371 HydrophobicContact CE2-CG 3.87Å; Y341-E371 CarbonylContact O-C 3.52Å; Y341-E371 VanDerWaalsContact O-CA 3.3Å; Y341-E371 WeakPolarHBondContact O-CA 3.35Å; Y341-E371 WeakPolarHBondContact OH-CG 3.45Å; Y341-E371 PolarHBondContact OH-OE1 3.08Å; F342-E371 HydrophobicContact CE1-CG 3.98Å; E371-L373 HydrophobicContact CB-CD1 4.42Å; E371-L373 HydrophobicContact CB-CD2 3.97Å; E371-L373 HydrophobicContact CB-CG 4.01Å
372R98.4Very high96.3Very high122 Ų12252.2 Ų52.246%0.4626%0.263SS..  trans-95.2105.8168.7-174.7174.7179160.83.5109.7M160 K340 Y341 V370M160-R372 WeakPolarHBondContact CG-O 3.36Å; K340-R372 VanDerWaalsContact O-CB 3.31Å; K340-R372 WeakPolarHBondContact O-CB 3.49Å; Y341-R372 PolarHBondContact O-N 3.47Å; V370-R372 PolarHBondContact O-N 3.4Å
373L98.4Very high96Very high31 Ų3156.5 Ų56.516%0.16228%0.282CS..  trans-110.9140.6-173.3-56.1-179.4000112.6P28 P30 Y341 E371P28-L373 HydrophobicContact CB-CB 4.2Å; P28-L373 HydrophobicContact CB-CD1 3.67Å; P30-L373 HydrophobicContact CB-CD1 4.04Å; P30-L373 HydrophobicContact CB-CG 4.36Å; Y341-L373 HydrophobicContact CE2-CD2 4.26Å; E371-L373 HydrophobicContact CB-CD1 4.42Å; E371-L373 HydrophobicContact CB-CD2 3.97Å; E371-L373 HydrophobicContact CB-CG 4.01Å
374P98Very high95.6Very high11 Ų1155.2 Ų55.27%0.07128%0.276CS..  trans-71.5136.7167.931.6-34.3000110.3R157R157-P374 HydrophobicContact CB-CB 3.86Å; R157-P374 HydrophobicContact CB-CG 4.49Å; R157-P374 HydrophobicContact CG-CB 4.13Å; R157-P374 WeakPolarHBondContact O-CG 3.41Å
375V97.7Very high95Very high39 Ų3960 Ų6024%0.23630%0.295CS..  trans-119.5126175-173.30000109.2R157R157-V375 VanDerWaalsContact NH2-C 3.26Å; R157-V375 VanDerWaalsContact NH2-N 3.19Å; R157-V375 PolarHBondContact NH2-O 3.42Å
376F97.4Very high94.1Very high31 Ų3159.3 Ų59.314%0.13630%0.295CS..  trans-80.5118.1172.5179.3-102.3000109.6N63 K66 E67 Y70N63-F376 HydrophobicContact CB-CB 4.22Å; N63-F376 WeakPolarHBondContact OD1-CB 3.49Å; N63-F376 PolarHBondContact OD1-N 3.19Å; K66-F376 HydrophobicContact CB-CD1 4.03Å; K66-F376 HydrophobicContact CB-CD2 4.38Å; K66-F376 HydrophobicContact CB-CE1 4.23Å; K66-F376 HydrophobicContact CB-CG 4.1Å; K66-F376 HydrophobicContact CB-CZ 4.49Å; K66-F376 HydrophobicContact CD-CE1 4.35Å; K66-F376 HydrophobicContact CD-CZ 4.48Å; K66-F376 HydrophobicContact CG-CD1 3.54Å; K66-F376 HydrophobicContact CG-CD2 4.18Å; K66-F376 HydrophobicContact CG-CE1 3.26Å; K66-F376 HydrophobicContact CG-CE2 3.93Å; K66-F376 HydrophobicContact CG-CG 4Å; K66-F376 HydrophobicContact CG-CZ 3.48Å; K66-F376 VanDerWaalsContact CG-CZ 3.48Å; E67-F376 HydrophobicContact CG-CB 4.43Å; E67-F376 HydrophobicContact CG-CD2 3.57Å; E67-F376 HydrophobicContact CG-CE2 4.33Å; E67-F376 HydrophobicContact CG-CG 4.4Å; Y70-F376 HydrophobicContact CD2-CE2 4.02Å; Y70-F376 HydrophobicContact CD2-CZ 4.4Å; Y70-F376 AromaticContact CE2-CE2 3.67Å; Y70-F376 HydrophobicContact CE2-CE2 3.67Å; Y70-F376 AromaticContact CE2-CZ 3.59Å; Y70-F376 HydrophobicContact CE2-CZ 3.59Å
377N95.4Very high92.8Very high71 Ų7163 Ų6338%0.3832%0.317SS..SBendtrans-156.4-175.3178.261.827.2000109.9S379 A380 L381N377-S379 PolarHBondContact O-N 3.04Å; N377-S379 WeakPolarHBondContact OD1-CA 3.39Å; N377-S379 VanDerWaalsContact OD1-CB 3.28Å; N377-S379 WeakPolarHBondContact OD1-CB 3.35Å; N377-S379 PolarHBondContact OD1-N 3.15Å; N377-A380 PolarHBondContact O-N 2.96Å; N377-A380 VanDerWaalsContact O-N 3.15Å; N377-A380 PolarHBondContact OD1-N 3.28Å; N377-L381 PolarHBondContact O-N 3.46Å
378K93.9Very high91.6Very high165 Ų16566.4 Ų66.472%0.71733%0.328SS*.Hα-helixtrans-57.8-32.7177.7-70.7-172.5177.8-178.50113.3R382K378-R382 WeakPolarHBondContact O-CG 3.41Å; K378-R382 PolarHBondContact O-N 3.5Å
379S94.4Very high90.4Very high65 Ų6570.5 Ų70.546%0.45535%0.348SS..Hα-helixtrans-69.4-44.8176.8-55.60000111.1N377 L381 R382 H383N377-S379 PolarHBondContact O-N 3.04Å; N377-S379 WeakPolarHBondContact OD1-CA 3.39Å; N377-S379 VanDerWaalsContact OD1-CB 3.28Å; N377-S379 WeakPolarHBondContact OD1-CB 3.35Å; N377-S379 PolarHBondContact OD1-N 3.15Å; S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 2.92Å; S379-R382 PolarHBondContact O-N 3.11Å; S379-H383 PolarHBondContact O-CD2 3.18Å
380A94Very high89.3Confident2 Ų275.1 Ų75.12%0.01739%0.385CS..Hα-helixtrans-60.9-40.9174.400000111.7Y153 N377 R382 H383 Y384Y153-A380 WeakPolarHBondContact OH-CA 3.43Å; N377-A380 PolarHBondContact O-N 2.96Å; N377-A380 VanDerWaalsContact O-N 3.15Å; N377-A380 PolarHBondContact OD1-N 3.28Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 3.17Å; A380-H383 WeakPolarHBondContact O-CB 3.28Å; A380-H383 PolarHBondContact O-N 2.84Å; A380-Y384 VanDerWaalsContact O-CD2 3.29Å; A380-Y384 WeakPolarHBondContact O-CD2 3.44Å
381L92.9Very high88.4Confident33 Ų3377.2 Ų77.217%0.17340%0.395CS..Hα-helixtrans-60-39.3177.8-179.161.2000113Y70 N377 S379 H383 Y384 Q385Y70-L381 HydrophobicContact CD1-CD1 3.65Å; Y70-L381 HydrophobicContact CD2-CD1 4.15Å; Y70-L381 HydrophobicContact CE1-CD1 3.26Å; Y70-L381 HydrophobicContact CE2-CD1 3.81Å; Y70-L381 HydrophobicContact CG-CD1 4.07Å; N377-L381 PolarHBondContact O-N 3.46Å; S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 2.92Å; L381-H383 PolarHBondContact O-N 2.86Å; L381-Y384 PolarHBondContact O-N 3.2Å; L381-Q385 HydrophobicContact CD1-CG 4.39Å; L381-Q385 HydrophobicContact CG-CG 4.48Å; L381-Q385 PolarHBondContact O-N 2.87Å
382R91.8Very high87.8Confident167 Ų16783.6 Ų83.663%0.6343%0.43SS*.Hα-helixtrans-60.3-33.3179.1-74171.9-169.3159.80.4112.9K378 S379 A380 Y384 Q385 S386K378-R382 WeakPolarHBondContact O-CG 3.41Å; K378-R382 PolarHBondContact O-N 3.5Å; S379-R382 PolarHBondContact O-N 3.11Å; A380-R382 VanDerWaalsContact C-N 3.33Å; A380-R382 PolarHBondContact O-N 3.17Å; R382-Y384 PolarHBondContact O-N 3.03Å; R382-Q385 PolarHBondContact O-N 2.83Å; R382-S386 PolarHBondContact O-N 2.78Å; R382-S386 VanDerWaalsContact O-N 3.13Å
383H90.8Very high87.4Confident93 Ų9387.3 Ų87.343%0.43144%0.443SS..Hα-helixtrans-63.9-27.7176.5-75.3-79.3000113N150 Y153 S379 A380 L381 S386N150-H383 PolarHBondContact OD1-O 3.27Å; N150-H383 VanDerWaalsContact OD1-O 3.08Å; Y153-H383 HydrophobicContact CD1-CB 3.81Å; Y153-H383 HydrophobicContact CD2-CB 4.33Å; Y153-H383 HydrophobicContact CE1-CB 3.57Å; Y153-H383 AromaticContact CE1-CG 3.99Å; Y153-H383 HydrophobicContact CE2-CB 4.1Å; Y153-H383 AromaticContact CE2-CD2 3.6Å; Y153-H383 AromaticContact CE2-CG 3.62Å; Y153-H383 AromaticContact CE2-ND1 3.9Å; Y153-H383 AromaticContact CE2-NE2 3.88Å; Y153-H383 HydrophobicContact CG-CB 4.19Å; Y153-H383 AromaticContact CZ-CD2 3.48Å; Y153-H383 VanDerWaalsContact CZ-CD2 3.48Å; Y153-H383 AromaticContact CZ-CG 3.59Å; Y153-H383 PolarHBondContact OH-CD2 3.1Å; S379-H383 PolarHBondContact O-CD2 3.18Å; A380-H383 WeakPolarHBondContact O-CB 3.28Å; A380-H383 PolarHBondContact O-N 2.84Å; L381-H383 PolarHBondContact O-N 2.86Å; H383-S386 PolarHBondContact O-OG 3.04Å
384Y89.4Confident87Confident20 Ų2092 Ų928%0.07848%0.477CS..Hα-helixtrans-86.8-16.9177.5-63.7-69000113.3E67 Y153 F154 A380 L381 R382E67-Y384 HydrophobicContact CB-CE2 4.26Å; E67-Y384 HydrophobicContact CG-CE2 4.06Å; E67-Y384 PolarHBondContact OE2-OH 3.23Å; Y153-Y384 HydrophobicContact CD1-CE1 4.02Å; Y153-Y384 HydrophobicContact CD1-CE2 4.15Å; Y153-Y384 AromaticContact CD1-CZ 3.66Å; Y153-Y384 HydrophobicContact CE1-CE1 4.46Å; Y153-Y384 AromaticContact CE1-CE2 3.77Å; Y153-Y384 HydrophobicContact CE1-CE2 3.77Å; Y153-Y384 AromaticContact CE1-CZ 3.71Å; F154-Y384 WeakPolarHBondContact CA-OH 3.32Å; F154-Y384 HydrophobicContact CB-CE1 4.03Å; A380-Y384 VanDerWaalsContact O-CD2 3.29Å; A380-Y384 WeakPolarHBondContact O-CD2 3.44Å; L381-Y384 PolarHBondContact O-N 3.2Å; R382-Y384 PolarHBondContact O-N 3.03Å
385Q84.8Confident86.3Confident121 Ų12198.2 Ų98.257%0.56551%0.507SS*.Hα-helixtrans-102.5-5.2-176.1-65.9178.4-24.800112.9L381 R382 T387L381-Q385 HydrophobicContact CD1-CG 4.39Å; L381-Q385 HydrophobicContact CG-CG 4.48Å; L381-Q385 PolarHBondContact O-N 2.87Å; R382-Q385 PolarHBondContact O-N 2.83Å; Q385-T387 PolarHBondContact O-N 2.98Å
386S76Confident85.8Confident49 Ų49101.6 Ų101.634%0.34353%0.53SS..  trans-61.9125179.250.90000110.8R382 H383R382-S386 PolarHBondContact O-N 2.78Å; R382-S386 VanDerWaalsContact O-N 3.13Å; H383-S386 PolarHBondContact O-OG 3.04Å
387T69.1Low85.3Confident108 Ų108103.9 Ų103.966%0.66355%0.55SS**  trans-82.2168174.249.30000111.1Q385 E389Q385-T387 PolarHBondContact O-N 2.98Å; T387-E389 PolarHBondContact O-N 3.44Å
388I69.5Low85Confident140 Ų140110.7 Ų110.772%0.71858%0.576SS**  trans-59.4112.3169.9-59.2165.5000108.2V146V146-I388 HydrophobicContact CB-CG1 4.4Å; V146-I388 HydrophobicContact CG2-CB 4.25Å; V146-I388 HydrophobicContact CG2-CG1 3.41Å; V146-I388 VanDerWaalsContact CG2-CG1 3.41Å
389E72.4Confident84.8Confident160 Ų160111 Ų11175%0.74858%0.58SS**PPolyproline II helixtrans-90.3148.9169.4-67.5-178.7-177.200109.3T387T387-E389 PolarHBondContact O-N 3.44Å
390A74.8Confident84.5Confident97 Ų97112.4 Ų112.480%0.80259%0.588SS**PPolyproline II helixtrans-63.7142.717000000108.8D392A390-D392 PolarHBondContact O-N 3.18Å
391D78.6Confident84.2Confident92 Ų92120.8 Ų120.849%0.49262%0.624SS.*PPolyproline II helixtrans-56.6131.7175.2-158.3-39.8000109.5W393 M395D391-W393 PolarHBondContact O-N 3.48Å; D391-W393 PolarHBondContact OD1-N 3.04Å; D391-M395 HydrophobicContact CB-CG 4.13Å; D391-M395 VanDerWaalsContact OD2-SD 3.38Å
392D86.5Confident83.8Confident139 Ų139128.6 Ų128.674%0.74366%0.657SS**SBendtrans-77.6-4.8-179.862.3-38.4000112.1A390A390-D392 PolarHBondContact O-N 3.18Å
393W89.9Confident83.5Confident199 Ų199127.8 Ų127.875%0.75466%0.664SS**SBendtrans-121.1155.8174.4-6183.8000112.7D391 M395D391-W393 PolarHBondContact O-N 3.48Å; D391-W393 PolarHBondContact OD1-N 3.04Å; W393-M395 PolarHBondContact O-N 2.86Å
394C89.1Confident82.9Confident129 Ų129126.8 Ų126.887%0.87268%0.678SS**PPolyproline II helixtrans-65.6120.2177.8-65.80000111.4
395M84.9Confident81.7Confident142 Ų142135.6 Ų135.670%0.772%0.717SS**PPolyproline II helixtrans-86.8119.2170.2-70.2-64.9-80.300110.2D391 W393D391-M395 HydrophobicContact CB-CG 4.13Å; D391-M395 VanDerWaalsContact OD2-SD 3.38Å; W393-M395 PolarHBondContact O-N 2.86Å
396P86.6Confident80.4Confident111 Ų111140.7 Ų140.772%0.72173%0.733SS**PPolyproline II helixtrans-65.5148.9-179.727-33.7000111.3
397S86.6Confident79.4Confident79 Ų79147.1 Ų147.155%0.55276%0.757SS**PPolyproline II helixtrans-58.9138.9173.4178.60000110.6E399 P400S397-E399 PolarHBondContact O-N 3.21Å; S397-E399 PolarHBondContact OG-N 2.97Å; S397-E399 VanDerWaalsContact OG-N 3.09Å; S397-E399 PolarHBondContact OG-O 3.09Å; S397-P400 WeakPolarHBondContact O-CD 3.44Å; S397-P400 WeakPolarHBondContact O-CG 3.38Å
398K89.3Confident78.3Confident213 Ų213153.4 Ų153.493%0.92677%0.769SS**SBendtrans-60.5-23.6170-68.7-175-179.6178.20112.3P400K398-P400 WeakPolarHBondContact O-CD 3.49Å
399E89.4Confident77.2Confident171 Ų171153.1 Ų153.180%0.79977%0.774SS**SBendtrans-120.182.6173.9-64.2-179.5-178.700108.5S397 K401S397-E399 PolarHBondContact O-N 3.21Å; S397-E399 PolarHBondContact OG-N 2.97Å; S397-E399 VanDerWaalsContact OG-N 3.09Å; S397-E399 PolarHBondContact OG-O 3.09Å; E399-K401 PolarHBondContact O-N 3.17Å
400P88.8Confident76Confident96 Ų96155.3 Ų155.362%0.62378%0.784SS**  trans-60.5137.5176.3-21.132.5000110.2S397 K398 K402S397-P400 WeakPolarHBondContact O-CD 3.44Å; S397-P400 WeakPolarHBondContact O-CG 3.38Å; K398-P400 WeakPolarHBondContact O-CD 3.49Å; P400-K402 PolarHBondContact O-N 3.17Å; P400-K402 VanDerWaalsContact O-N 3.17Å
401K86.9Confident74.9Confident178 Ų178153.5 Ų153.577%0.77478%0.775SS**  trans-59.3121.7178.2-172.1175-177.9177.30109.8E399 L403E399-K401 PolarHBondContact O-N 3.17Å; K401-L403 HydrophobicContact CD-CD2 4.18Å; K401-L403 HydrophobicContact CG-CD2 4.24Å; K401-L403 PolarHBondContact O-N 3.46Å; K401-L403 VanDerWaalsContact O-N 3.17Å
402K85.6Confident73Confident197 Ų197157.8 Ų157.886%0.85779%0.792SS**  trans-70.4109.4173.3-64.9-178.8-178.5178.30108.8P400 G404P400-K402 PolarHBondContact O-N 3.17Å; P400-K402 VanDerWaalsContact O-N 3.17Å; K402-G404 VanDerWaalsContact C-N 3.35Å
403L84.4Confident70.7Confident150 Ų150160.3 Ų160.379%0.78580%0.802SS**  trans-90.32.1178.4-63175.8000113.2K401 K405K401-L403 HydrophobicContact CD-CD2 4.18Å; K401-L403 HydrophobicContact CG-CD2 4.24Å; K401-L403 PolarHBondContact O-N 3.46Å; K401-L403 VanDerWaalsContact O-N 3.17Å; L403-K405 PolarHBondContact O-N 3.45Å
404G77.9Confident68.4Low71 Ų71156.1 Ų156.173%0.73280%0.798SS**SBendtrans-64.8127.2172.100000110.9K402K402-G404 VanDerWaalsContact C-N 3.35Å
405K63.9Low66.3Low205 Ų205159.6 Ų159.689%0.89180%0.798SS**  trans-62.8140.7-175.8-71177.1175.7177.10112.4L403L403-K405 PolarHBondContact O-N 3.45Å
406Y57.3Low64.3Low228 Ų228160.3 Ų160.389%0.89480%0.8SS**  trans-9.8117.4164.4-89.9-101.2000116.3R408Y406-R408 PolarHBondContact O-N 3.24Å
407E55.5Low62Low184 Ų184165 Ų16586%0.8681%0.809SS**  trans-59.4118.2153.6-73.3178164.500107.8T409E407-T409 PolarHBondContact O-N 3Å
408R46.2Very low59.6Low240 Ų240168 Ų16891%0.90682%0.818SS**  trans-59.2110.2165.5-85.5179.6171.9173.4-2.6106.9Y406 Q410Y406-R408 PolarHBondContact O-N 3.24Å; R408-Q410 PolarHBondContact O-N 3.03Å
409T46.3Very low57.1Low135 Ų135163.4 Ų163.483%0.82881%0.809SS**  trans-53.3109.4161.831.40000108.2E407 G411E407-T409 PolarHBondContact O-N 3Å; T409-G411 VanDerWaalsContact C-N 3.3Å; T409-G411 PolarHBondContact O-N 2.99Å
410Q47.8Very low54.5Low206 Ų206168.9 Ų168.996%0.96383%0.83SS**  trans-64.297.4160.8-85-175.9-10.100107.1R408R408-Q410 PolarHBondContact O-N 3.03Å
411G50.5Low52.8Low59 Ų59172.5 Ų172.561%0.60884%0.84SS**  trans-176.971.4179.700000111T409T409-G411 VanDerWaalsContact C-N 3.3Å; T409-G411 PolarHBondContact O-N 2.99Å
412E39.8Very low51Low181 Ų181172.2 Ų172.285%0.84684%0.844SS**  trans178.784.2145.1-99.4169.1-166.500109.2V414E412-V414 VanDerWaalsContact C-N 3.34Å; E412-V414 PolarHBondContact O-N 3.13Å; E412-V414 VanDerWaalsContact O-N 3.13Å
413M38.8Very low49.1Very low192 Ų192170.8 Ų170.895%0.94684%0.843SS**  trans-71.894.6157.5-95.3-170.9-95.200107.6K415M413-K415 PolarHBondContact O-N 3.08Å; M413-K415 VanDerWaalsContact O-N 3.08Å
414V40.9Very low47Very low111 Ų111172.1 Ų172.167%0.67385%0.847SS**  trans-66.9103.4164.8176.90000107.8E412 H416E412-V414 VanDerWaalsContact C-N 3.34Å; E412-V414 PolarHBondContact O-N 3.13Å; E412-V414 VanDerWaalsContact O-N 3.13Å; V414-H416 PolarHBondContact O-N 3.14Å; V414-H416 VanDerWaalsContact O-N 3.14Å
415K45.5Very low45.1Very low202 Ų202178.4 Ų178.488%0.87885%0.854SS**  trans-68.6101.5163.3-81.7-175.6177.9178.80108.4M413M413-K415 PolarHBondContact O-N 3.08Å; M413-K415 VanDerWaalsContact O-N 3.08Å
416H42.4Very low43.8Very low158 Ų158176.6 Ų176.673%0.73185%0.851SS**  trans-116.5101.8152-91.1-42.3000109.3V414V414-H416 PolarHBondContact O-N 3.14Å; V414-H416 VanDerWaalsContact O-N 3.14Å
417K38.6Very low42.9Very low210 Ų210172.9 Ų172.991%0.91385%0.848SS**  trans-126.8104.5149.9-90.3-170.2172.9-1750107.2
418N36.1Very low41.9Very low141 Ų141172.1 Ų172.175%0.75485%0.847SS**  trans-73.2138.8161-81.3-15.4000108.9
419T37.6Very low41.6Very low117 Ų117166.4 Ų166.472%0.71884%0.842SS**  trans-11.7128.1152.739.50000117.4
420F34.4Very low41.1Very low285 Ų285169.3 Ų169.3100%1.2584%0.844SS**  -147.90101.1-95.2-78.1000109.5

Retrieved 420 of 420 residues in 1188.2 ms (Link to these results)

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