A0A5K4FCX1_SCHMA Loading...

Glutathione S-transferase 3, mitochondrial AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FCX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 161 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
1M51.2Low54.8Low245 Ų245134.2 Ų134.2100%1.20772%0.719SS**  0109.80-85.6162.5156.500108.1
2S59.3Low54.8Low88 Ų88133.7 Ų133.762%0.61573%0.725SS**  trans-78.9132.1-173.9179.30000111.3S4 K5S2-S4 PolarHBondContact O-N 2.92Å; S2-S4 WeakPolarHBondContact OG-CB 3.39Å; S2-S4 PolarHBondContact OG-N 3.28Å; S2-K5 PolarHBondContact O-N 3.14Å
3L60.7Low54.6Low133 Ų133131.2 Ų131.270%0.69672%0.724SS**THydrogen-bonded Turntrans-49.5-21.1173.2-115.190.2000113.2K5 Y6 I7L3-K5 PolarHBondContact O-N 3.4Å; L3-K5 VanDerWaalsContact O-N 3.16Å; L3-Y6 PolarHBondContact O-N 3.16Å; L3-I7 HydrophobicContact CB-CD1 4.38Å; L3-I7 HydrophobicContact CD2-CD1 4.34Å; L3-I7 PolarHBondContact O-N 3.44Å
4S61.8Low54.5Low71 Ų71132 Ų13250%0.49773%0.725SS.*Hα-helixtrans-49-35.8176.2161.40000114.4S2 Y6 I7 S8S2-S4 PolarHBondContact O-N 2.92Å; S2-S4 WeakPolarHBondContact OG-CB 3.39Å; S2-S4 PolarHBondContact OG-N 3.28Å; S4-Y6 VanDerWaalsContact C-N 3.31Å; S4-Y6 PolarHBondContact O-N 3.42Å; S4-I7 PolarHBondContact O-N 3.05Å; S4-S8 PolarHBondContact O-N 3.24Å
5K50.8Low54.3Low176 Ų176131.8 Ų131.877%0.76573%0.733SS**Hα-helixtrans-71.6-22-179.8-70-171.3179.3-174.40114.1S2 L3S2-K5 PolarHBondContact O-N 3.14Å; L3-K5 PolarHBondContact O-N 3.4Å; L3-K5 VanDerWaalsContact O-N 3.16Å
6Y55.2Low55.2Low206 Ų206130.9 Ų130.981%0.80873%0.726SS**Hα-helixtrans-91.1-24.7177.4-65.8-77.1000112.5L3 S4L3-Y6 PolarHBondContact O-N 3.16Å; S4-Y6 VanDerWaalsContact C-N 3.31Å; S4-Y6 PolarHBondContact O-N 3.42Å
7I58Low56.6Low125 Ų125130.7 Ų130.764%0.64173%0.733SS**Hα-helixtrans-82.7-19.2178.5-62.1170000111.2L3 S4L3-I7 HydrophobicContact CB-CD1 4.38Å; L3-I7 HydrophobicContact CD2-CD1 4.34Å; L3-I7 PolarHBondContact O-N 3.44Å; S4-I7 PolarHBondContact O-N 3.05Å
8S56.7Low58.2Low83 Ų83127.9 Ų127.958%0.5872%0.716SS**  trans-148.579.2-179.2-60.30000110.8S4 S10S4-S8 PolarHBondContact O-N 3.24Å; S8-S10 PolarHBondContact O-N 3.44Å
9P48.7Very low59.7Low97 Ų97123.2 Ų123.263%0.6369%0.692SS**  trans-56.3138.9166.725.4-32.3000108.7L11P9-L11 PolarHBondContact O-N 3.13Å; P9-L11 VanDerWaalsContact O-N 3.13Å
10S48.2Very low61.2Low88 Ų88127.1 Ų127.162%0.61570%0.695SS**  trans-53.4121.7176.555.20000109.2S8 T12S8-S10 PolarHBondContact O-N 3.44Å; S10-T12 PolarHBondContact O-N 2.79Å
11L52Low62.6Low164 Ų164126.2 Ų126.286%0.85968%0.682SS**SBendtrans-56.2-2.4178.8-113.777.9000114.3P9 S13P9-L11 PolarHBondContact O-N 3.13Å; P9-L11 VanDerWaalsContact O-N 3.13Å; L11-S13 PolarHBondContact O-N 2.81Å; L11-S13 VanDerWaalsContact O-N 3.14Å
12T54.8Low64.7Low128 Ų128115.6 Ų115.679%0.78563%0.629SS**THydrogen-bonded Turntrans-76.49.5-168.1-210000115.2S10S10-T12 PolarHBondContact O-N 2.79Å
13S52.3Low66.4Low102 Ų102113.5 Ų113.571%0.71362%0.621SS**THydrogen-bonded Turntrans-139.215.4-178.270.70000116.9L11 P15L11-S13 PolarHBondContact O-N 2.81Å; L11-S13 VanDerWaalsContact O-N 3.14Å; S13-P15 VanDerWaalsContact O-CD 3.28Å; S13-P15 WeakPolarHBondContact O-CD 3.28Å
14L54Low68.1Low142 Ų142108.1 Ų108.174%0.74360%0.597SS**  trans-93.6106.7164.6-91.6152.9000108.4L16L14-L16 PolarHBondContact O-N 3.38Å
15P51Low69.8Low129 Ų129104.7 Ų104.784%0.83857%0.574SS**  trans-75.847.9174.133.4-35.4000111S13S13-P15 VanDerWaalsContact O-CD 3.28Å; S13-P15 WeakPolarHBondContact O-CD 3.28Å
16L68.9Low72.1Confident118 Ų118100 Ų10062%0.61856%0.556SS**  trans-97.988.9171.4-170.166.6000108.2L14 L18L14-L16 PolarHBondContact O-N 3.38Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 HydrophobicContact CD2-CD2 3.92Å; L16-L18 HydrophobicContact CG-CD2 4.17Å; L16-L18 PolarHBondContact O-N 2.88Å
17C78.9Confident74.1Confident127 Ų12795.7 Ų95.786%0.85855%0.547SS*.  trans-64.595.2168.5-710000108.8
18L84.7Confident76Confident80 Ų8090.2 Ų90.242%0.41952%0.519SS..PPolyproline II helixtrans-65.7143.3173-70174.4000110L16 Y22 L91L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 HydrophobicContact CD2-CD2 3.92Å; L16-L18 HydrophobicContact CG-CD2 4.17Å; L16-L18 PolarHBondContact O-N 2.88Å; L18-Y22 HydrophobicContact CB-CD1 4.4Å; L18-Y22 HydrophobicContact CB-CG 4.3Å; L18-Y22 HydrophobicContact CD1-CD1 3.82Å; L18-Y22 HydrophobicContact CD1-CE1 4.33Å; L18-Y22 HydrophobicContact CD2-CD1 3.83Å; L18-Y22 HydrophobicContact CD2-CE1 3.92Å; L18-Y22 HydrophobicContact CD2-CG 4.16Å; L18-Y22 HydrophobicContact CG-CD1 4.24Å; L18-L91 HydrophobicContact CD2-CD2 4.12Å
19P87.9Confident78Confident39 Ų3986.7 Ų86.725%0.25350%0.496SS..PPolyproline II helixtrans-55.7148.6177.2-23.631.1000112.2Y21 Y22 L91 P94P19-Y21 PolarHBondContact O-N 3Å; P19-Y22 HydrophobicContact CG-CD2 4.3Å; P19-Y22 VanDerWaalsContact O-CB 3.27Å; P19-Y22 WeakPolarHBondContact O-CB 3.25Å; P19-Y22 PolarHBondContact O-N 3.26Å; P19-L91 WeakPolarHBondContact CG-O 3.44Å; P19-P94 HydrophobicContact CB-CB 4.47Å; P19-P94 HydrophobicContact CB-CG 3.9Å
20R88.2Confident80.4Confident200 Ų20086.5 Ų86.576%0.75549%0.492SS*.THydrogen-bonded Turntrans-51.6132.2167.4-166.1-179.4173.3157.50.3108.6P94R20-P94 VanDerWaalsContact O-CG 3.25Å; R20-P94 WeakPolarHBondContact O-CG 3.27Å
21Y91.8Very high82.8Confident110 Ų11085.5 Ų85.543%0.43149%0.485SS..THydrogen-bonded Turntrans77.33.8-175.8-47.8-78.8000117.5P19 G23 G24 R95P19-Y21 PolarHBondContact O-N 3Å; Y21-G23 PolarHBondContact O-N 3.18Å; Y21-G23 VanDerWaalsContact O-N 3.12Å; Y21-G24 PolarHBondContact O-N 3.45Å; Y21-G24 VanDerWaalsContact O-N 3.08Å; Y21-R95 HydrophobicContact CD2-CG 4.05Å; Y21-R95 VanDerWaalsContact CD2-NE 3.26Å; Y21-R95 VanDerWaalsContact CE2-NE 3.28Å; Y21-R95 HydrophobicContact CG-CG 4.08Å; Y21-R95 VanDerWaalsContact CZ-NH2 3.34Å; Y21-R95 PolarHBondContact OH-NH2 3.25Å
22Y94.4Very high85Confident22 Ų2277.7 Ų77.79%0.08644%0.444CS..Hα-helixtrans-61.1-22.2177.5-163.4-92.5000113.6L18 P19 G24 V25 I26 F87 G90 L91L18-Y22 HydrophobicContact CB-CD1 4.4Å; L18-Y22 HydrophobicContact CB-CG 4.3Å; L18-Y22 HydrophobicContact CD1-CD1 3.82Å; L18-Y22 HydrophobicContact CD1-CE1 4.33Å; L18-Y22 HydrophobicContact CD2-CD1 3.83Å; L18-Y22 HydrophobicContact CD2-CE1 3.92Å; L18-Y22 HydrophobicContact CD2-CG 4.16Å; L18-Y22 HydrophobicContact CG-CD1 4.24Å; P19-Y22 HydrophobicContact CG-CD2 4.3Å; P19-Y22 VanDerWaalsContact O-CB 3.27Å; P19-Y22 WeakPolarHBondContact O-CB 3.25Å; P19-Y22 PolarHBondContact O-N 3.26Å; Y22-G24 PolarHBondContact O-N 3.07Å; Y22-G24 VanDerWaalsContact O-N 3.16Å; Y22-V25 HydrophobicContact CD2-CB 4.37Å; Y22-V25 HydrophobicContact CD2-CG2 4.15Å; Y22-V25 HydrophobicContact CE2-CB 4.34Å; Y22-V25 HydrophobicContact CE2-CG1 4.24Å; Y22-V25 HydrophobicContact CE2-CG2 4.36Å; Y22-V25 HydrophobicContact CG-CB 4.47Å; Y22-V25 VanDerWaalsContact O-CB 3.27Å; Y22-V25 WeakPolarHBondContact O-CB 3.39Å; Y22-V25 PolarHBondContact O-N 3.01Å; Y22-I26 HydrophobicContact CD1-CD1 4Å; Y22-I26 HydrophobicContact CD1-CG1 3.95Å; Y22-I26 HydrophobicContact CE1-CD1 4.27Å; Y22-I26 HydrophobicContact CE1-CG1 3.95Å; Y22-I26 PolarHBondContact O-N 3.34Å; Y22-F87 PolarHBondContact OH-O 3.14Å; Y22-G90 VanDerWaalsContact CD2-O 3.31Å; Y22-G90 WeakPolarHBondContact CD2-O 3.31Å; Y22-L91 HydrophobicContact CD2-CD2 4.37Å; Y22-L91 HydrophobicContact CE2-CD2 3.65Å; Y22-L91 HydrophobicContact CE2-CG 4.05Å
23G95.2Very high87Confident44 Ų4477.7 Ų77.745%0.45443%0.434SS..Hα-helixtrans-54.3-32.2172.300000113.8Y21 V25 I26 L27Y21-G23 PolarHBondContact O-N 3.18Å; Y21-G23 VanDerWaalsContact O-N 3.12Å; G23-V25 VanDerWaalsContact C-N 3.35Å; G23-V25 PolarHBondContact O-N 3.4Å; G23-I26 PolarHBondContact O-N 3.01Å; G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 3.23Å
24G97.3Very high89.2Confident19 Ų1974.5 Ų74.520%0.19642%0.417CS..Hα-helixtrans-63.7-38.717400000112.9Y21 Y22 I26 L27 V28 T98Y21-G24 PolarHBondContact O-N 3.45Å; Y21-G24 VanDerWaalsContact O-N 3.08Å; Y22-G24 PolarHBondContact O-N 3.07Å; Y22-G24 VanDerWaalsContact O-N 3.16Å; G24-I26 VanDerWaalsContact C-N 3.33Å; G24-I26 PolarHBondContact O-N 3.48Å; G24-L27 PolarHBondContact O-N 3.16Å; G24-V28 WeakPolarHBondContact O-CG2 3.5Å; G24-V28 PolarHBondContact O-N 3.12Å; G24-T98 VanDerWaalsContact C-OG1 3.22Å; G24-T98 WeakPolarHBondContact CA-OG1 3.38Å
25V97.8Very high91.3Very high0 Ų068.8 Ų68.80%039%0.387CS..Hα-helixtrans-62.6-43.3176.3-177.30000110.2Y22 G23 V28 G29 L86 F87 P94 T98Y22-V25 HydrophobicContact CD2-CB 4.37Å; Y22-V25 HydrophobicContact CD2-CG2 4.15Å; Y22-V25 HydrophobicContact CE2-CB 4.34Å; Y22-V25 HydrophobicContact CE2-CG1 4.24Å; Y22-V25 HydrophobicContact CE2-CG2 4.36Å; Y22-V25 HydrophobicContact CG-CB 4.47Å; Y22-V25 VanDerWaalsContact O-CB 3.27Å; Y22-V25 WeakPolarHBondContact O-CB 3.39Å; Y22-V25 PolarHBondContact O-N 3.01Å; G23-V25 VanDerWaalsContact C-N 3.35Å; G23-V25 PolarHBondContact O-N 3.4Å; V25-V28 PolarHBondContact O-N 3.24Å; V25-G29 PolarHBondContact O-N 3.37Å; V25-L86 HydrophobicContact CG1-CD1 3.89Å; V25-L86 HydrophobicContact CG1-CG 3.74Å; V25-L86 VanDerWaalsContact CG1-O 3.29Å; V25-L86 WeakPolarHBondContact CG1-O 3.27Å; V25-F87 HydrophobicContact CG1-CD1 3.94Å; V25-F87 HydrophobicContact CG1-CE1 4.44Å; V25-P94 HydrophobicContact CG2-CB 4.24Å; V25-T98 PolarHBondContact N-OG1 3.31Å
26I97.3Very high93.5Very high76 Ų7664.2 Ų64.239%0.3936%0.356SS..Hα-helixtrans-62.2-46.6176.7-62173.8000110.6Y22 G23 G24 V28 G29 V30Y22-I26 HydrophobicContact CD1-CD1 4Å; Y22-I26 HydrophobicContact CD1-CG1 3.95Å; Y22-I26 HydrophobicContact CE1-CD1 4.27Å; Y22-I26 HydrophobicContact CE1-CG1 3.95Å; Y22-I26 PolarHBondContact O-N 3.34Å; G23-I26 PolarHBondContact O-N 3.01Å; G24-I26 VanDerWaalsContact C-N 3.33Å; G24-I26 PolarHBondContact O-N 3.48Å; I26-V28 VanDerWaalsContact C-N 3.31Å; I26-V28 PolarHBondContact O-N 2.96Å; I26-G29 CarbonylContact O-C 3.59Å; I26-G29 WeakPolarHBondContact O-CA 3.46Å; I26-G29 PolarHBondContact O-N 3.17Å; I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 2.68Å
27L98.3Very high94.9Very high117 Ų11761.4 Ų61.461%0.61334%0.341SS*.Hα-helixtrans-61-38.9178.5-70.3173.5000112.3G23 G24 V30 S31G23-L27 WeakPolarHBondContact O-CG 3.4Å; G23-L27 PolarHBondContact O-N 3.23Å; G24-L27 PolarHBondContact O-N 3.16Å; L27-V30 PolarHBondContact O-N 3.42Å; L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.08Å; L27-S31 PolarHBondContact O-OG 3.45Å
28V98.5Very high95.9Very high10 Ų1059.5 Ų59.56%0.06132%0.316CS..Hα-helixtrans-63.4-42.1171.91750000110.9G24 V25 I26 S31 A32 F82 L86 T98 A102 L105G24-V28 WeakPolarHBondContact O-CG2 3.5Å; G24-V28 PolarHBondContact O-N 3.12Å; V25-V28 PolarHBondContact O-N 3.24Å; I26-V28 VanDerWaalsContact C-N 3.31Å; I26-V28 PolarHBondContact O-N 2.96Å; V28-S31 WeakPolarHBondContact O-CB 3.43Å; V28-S31 PolarHBondContact O-N 3.49Å; V28-S31 VanDerWaalsContact O-N 3.16Å; V28-A32 PolarHBondContact O-N 3.03Å; V28-F82 HydrophobicContact CG1-CZ 3.93Å; V28-L86 HydrophobicContact CB-CD1 4.22Å; V28-L86 HydrophobicContact CB-CD2 4.05Å; V28-L86 HydrophobicContact CG1-CD1 3.87Å; V28-L86 HydrophobicContact CG1-CD2 3.67Å; V28-L86 HydrophobicContact CG1-CG 4.45Å; V28-T98 HydrophobicContact CG2-CG2 4.14Å; V28-T98 WeakPolarHBondContact CG2-O 3.25Å; V28-A102 HydrophobicContact CG2-CB 4.45Å; V28-L105 HydrophobicContact CG1-CD1 3.84Å; V28-L105 HydrophobicContact CG1-CG 4.49Å; V28-L105 WeakPolarHBondContact O-CD1 3.46Å
29G98.1Very high96.5Very high9 Ų955.7 Ų55.79%0.09330%0.297CS..Hα-helixtrans-60.5-45175.700000113.1V25 I26 S31 A32 F33V25-G29 PolarHBondContact O-N 3.37Å; I26-G29 CarbonylContact O-C 3.59Å; I26-G29 WeakPolarHBondContact O-CA 3.46Å; I26-G29 PolarHBondContact O-N 3.17Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.23Å; G29-A32 WeakPolarHBondContact O-CB 3.01Å; G29-A32 PolarHBondContact O-N 2.96Å; G29-F33 PolarHBondContact O-N 2.87Å
30V98.2Very high97Very high92 Ų9255.2 Ų55.256%0.55830%0.296SS*.Hα-helixtrans-61.9-39.2173.1174.10000110.9I26 L27 A32 F33 G34I26-V30 HydrophobicContact CG2-CG2 4.4Å; I26-V30 WeakPolarHBondContact O-CG2 3.35Å; I26-V30 PolarHBondContact O-N 2.68Å; L27-V30 PolarHBondContact O-N 3.42Å; V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.04Å; V30-F33 WeakPolarHBondContact O-CB 3.31Å; V30-F33 PolarHBondContact O-N 2.96Å; V30-G34 PolarHBondContact O-N 3.43Å
31S98.4Very high97.5Very high67 Ų6752.8 Ų52.847%0.46929%0.287SS..Hα-helixtrans-64.8-35.7176.8-56.60000111.9L27 V28 G29 F33 G34 L35L27-S31 WeakPolarHBondContact O-CB 3.31Å; L27-S31 PolarHBondContact O-N 3.08Å; L27-S31 PolarHBondContact O-OG 3.45Å; V28-S31 WeakPolarHBondContact O-CB 3.43Å; V28-S31 PolarHBondContact O-N 3.49Å; V28-S31 VanDerWaalsContact O-N 3.16Å; G29-S31 VanDerWaalsContact C-N 3.29Å; G29-S31 PolarHBondContact O-N 3.23Å; S31-F33 VanDerWaalsContact C-N 3.34Å; S31-G34 PolarHBondContact O-N 2.96Å; S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 2.86Å
32A98.4Very high97.7Very high0 Ų050.6 Ų50.60%028%0.277CS..Hα-helixtrans-63.1-41.1173.900000111.7V28 G29 V30 L35 N36 Y75 L79 F82 L83 L105V28-A32 PolarHBondContact O-N 3.03Å; G29-A32 WeakPolarHBondContact O-CB 3.01Å; G29-A32 PolarHBondContact O-N 2.96Å; V30-A32 VanDerWaalsContact C-N 3.31Å; V30-A32 PolarHBondContact O-N 3.04Å; A32-L35 PolarHBondContact O-N 3.36Å; A32-N36 PolarHBondContact O-N 3.41Å; A32-Y75 WeakPolarHBondContact CA-OH 3.45Å; A32-Y75 PolarHBondContact O-OH 3.38Å; A32-L79 HydrophobicContact CB-CD1 4.07Å; A32-F82 HydrophobicContact CB-CD1 4.47Å; A32-F82 HydrophobicContact CB-CE1 3.93Å; A32-L83 HydrophobicContact CB-CD2 4.1Å; A32-L105 HydrophobicContact CB-CD1 4.08Å; A32-L105 HydrophobicContact CB-CD2 3.82Å
33F97.6Very high97.9Very high128 Ų12850 Ų5056%0.56128%0.276SS*.Hα-helixtrans-62.5-45.6172.9-177.1-101.6000111.8G29 V30 S31 L35 N36 L37G29-F33 PolarHBondContact O-N 2.87Å; V30-F33 WeakPolarHBondContact O-CB 3.31Å; V30-F33 PolarHBondContact O-N 2.96Å; S31-F33 VanDerWaalsContact C-N 3.34Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.47Å; F33-N36 WeakPolarHBondContact O-CB 3.36Å; F33-N36 PolarHBondContact O-N 3.14Å; F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CD1-CG 4.37Å; F33-L37 HydrophobicContact CE1-CD1 3.5Å; F33-L37 HydrophobicContact CE1-CG 4.03Å; F33-L37 HydrophobicContact CZ-CD1 4.09Å; F33-L37 HydrophobicContact CZ-CD2 4.29Å; F33-L37 HydrophobicContact CZ-CG 4.25Å; F33-L37 PolarHBondContact O-N 3.2Å
34G98Very high98Very high36 Ų3653 Ų5337%0.37128%0.28SS..Hα-helixtrans-58.2-41.5174.700000113V30 S31 L37 Y38V30-G34 PolarHBondContact O-N 3.43Å; S31-G34 PolarHBondContact O-N 2.96Å; G34-L37 PolarHBondContact O-N 3.34Å; G34-Y38 PolarHBondContact O-N 2.71Å
35L98.2Very high98Very high22 Ų2256.2 Ų56.212%0.11529%0.29CS..Hα-helixtrans-65.3-41.4176.2-171.464.4000112S31 A32 F33 L37 Y38 F39 Y75 L105 R108 L109S31-L35 WeakPolarHBondContact O-CB 3.43Å; S31-L35 PolarHBondContact O-N 2.86Å; A32-L35 PolarHBondContact O-N 3.36Å; F33-L35 VanDerWaalsContact C-N 3.31Å; F33-L35 PolarHBondContact O-N 3.47Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.42Å; L35-Y38 HydrophobicContact CD1-CD1 4.29Å; L35-Y38 WeakPolarHBondContact O-CB 3.29Å; L35-Y38 PolarHBondContact O-N 2.97Å; L35-F39 HydrophobicContact CD1-CD1 4.34Å; L35-F39 HydrophobicContact CD1-CE1 3.55Å; L35-F39 HydrophobicContact CD1-CE2 4.38Å; L35-F39 HydrophobicContact CD1-CZ 3.57Å; L35-F39 HydrophobicContact CD2-CE2 4.21Å; L35-F39 HydrophobicContact CD2-CZ 3.94Å; L35-F39 HydrophobicContact CG-CE1 3.99Å; L35-F39 HydrophobicContact CG-CE2 3.93Å; L35-F39 HydrophobicContact CG-CZ 3.61Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 3.38Å; L35-Y75 HydrophobicContact CD2-CE2 3.8Å; L35-L105 HydrophobicContact CD2-CB 4.47Å; L35-L105 HydrophobicContact CD2-CD2 4.09Å; L35-R108 HydrophobicContact CD2-CB 4.07Å; L35-L109 HydrophobicContact CD1-CB 4.1Å; L35-L109 HydrophobicContact CD1-CD1 3.88Å
36N98.3Very high97.9Very high32 Ų3256.2 Ų56.217%0.17129%0.29CS..Hα-helixtrans-59-45.2173.8-169.535.4000111.8A32 F33 Y38 F39 A40 H72 Y75 L76A32-N36 PolarHBondContact O-N 3.41Å; F33-N36 WeakPolarHBondContact O-CB 3.36Å; F33-N36 PolarHBondContact O-N 3.14Å; N36-Y38 VanDerWaalsContact C-N 3.32Å; N36-Y38 PolarHBondContact O-N 2.92Å; N36-F39 PolarHBondContact O-N 3.49Å; N36-A40 WeakPolarHBondContact O-CB 3.39Å; N36-A40 PolarHBondContact O-N 2.98Å; N36-H72 PolarHBondContact OD1-NE2 3.5Å; N36-Y75 HydrophobicContact CB-CD1 4.41Å; N36-Y75 HydrophobicContact CB-CE1 3.84Å; N36-L76 VanDerWaalsContact OD1-CD2 3.29Å; N36-L76 WeakPolarHBondContact OD1-CD2 3.33Å
37L98.1Very high97.9Very high60 Ų6054.6 Ų54.631%0.31428%0.279SS..Hα-helixtrans-62.7-39.5177.4-70.5179.8000111.8F33 G34 L35 R41F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CD1-CG 4.37Å; F33-L37 HydrophobicContact CE1-CD1 3.5Å; F33-L37 HydrophobicContact CE1-CG 4.03Å; F33-L37 HydrophobicContact CZ-CD1 4.09Å; F33-L37 HydrophobicContact CZ-CD2 4.29Å; F33-L37 HydrophobicContact CZ-CG 4.25Å; F33-L37 PolarHBondContact O-N 3.2Å; G34-L37 PolarHBondContact O-N 3.34Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-L37 PolarHBondContact O-N 3.42Å; L37-R41 WeakPolarHBondContact O-CB 3.39Å; L37-R41 VanDerWaalsContact O-CG 3.23Å; L37-R41 WeakPolarHBondContact O-CG 3.38Å; L37-R41 PolarHBondContact O-N 3.16Å
38Y98.3Very high97.8Very high86 Ų8657.2 Ų57.234%0.33729%0.285SS..Hα-helixtrans-60.9-48.4174.1169.2-108.8000111.6G34 L35 N36 R41 R42 L109 F112G34-Y38 PolarHBondContact O-N 2.71Å; L35-Y38 HydrophobicContact CD1-CD1 4.29Å; L35-Y38 WeakPolarHBondContact O-CB 3.29Å; L35-Y38 PolarHBondContact O-N 2.97Å; N36-Y38 VanDerWaalsContact C-N 3.32Å; N36-Y38 PolarHBondContact O-N 2.92Å; Y38-R41 PolarHBondContact O-N 3.48Å; Y38-R42 HydrophobicContact CD2-CG 4.27Å; Y38-R42 HydrophobicContact CE1-CG 4.32Å; Y38-R42 HydrophobicContact CE2-CG 3.79Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 2.94Å; Y38-L109 HydrophobicContact CD1-CD1 4.26Å; Y38-L109 HydrophobicContact CE1-CD1 3.86Å; Y38-F112 HydrophobicContact CE1-CD1 4.28Å; Y38-F112 HydrophobicContact CE1-CE1 4.33Å
39F98.2Very high97.7Very high1 Ų161.7 Ų61.70%0.00431%0.305CS..Hα-helixtrans-63.4-43.9178.2-64.8-10.2000112.5L35 N36 R41 R42 V43 H72 Y75 L109 F112L35-F39 HydrophobicContact CD1-CD1 4.34Å; L35-F39 HydrophobicContact CD1-CE1 3.55Å; L35-F39 HydrophobicContact CD1-CE2 4.38Å; L35-F39 HydrophobicContact CD1-CZ 3.57Å; L35-F39 HydrophobicContact CD2-CE2 4.21Å; L35-F39 HydrophobicContact CD2-CZ 3.94Å; L35-F39 HydrophobicContact CG-CE1 3.99Å; L35-F39 HydrophobicContact CG-CE2 3.93Å; L35-F39 HydrophobicContact CG-CZ 3.61Å; L35-F39 WeakPolarHBondContact O-CG 3.48Å; L35-F39 PolarHBondContact O-N 3.38Å; N36-F39 PolarHBondContact O-N 3.49Å; F39-R41 VanDerWaalsContact C-N 3.33Å; F39-R41 PolarHBondContact O-N 2.96Å; F39-R42 PolarHBondContact O-N 3.1Å; F39-R42 VanDerWaalsContact O-N 3.16Å; F39-V43 PolarHBondContact O-N 3.35Å; F39-H72 HydrophobicContact CB-CB 4.11Å; F39-H72 WeakPolarHBondContact CB-CD2 3.47Å; F39-Y75 AromaticContact CD2-CD1 3.76Å; F39-Y75 HydrophobicContact CD2-CD1 3.76Å; F39-Y75 HydrophobicContact CD2-CD2 4.33Å; F39-Y75 HydrophobicContact CD2-CE1 4.48Å; F39-Y75 AromaticContact CD2-CG 3.66Å; F39-Y75 HydrophobicContact CD2-CG 3.66Å; F39-Y75 AromaticContact CE2-CD1 3.99Å; F39-Y75 HydrophobicContact CE2-CD1 3.99Å; F39-Y75 AromaticContact CE2-CD2 3.74Å; F39-Y75 HydrophobicContact CE2-CD2 3.74Å; F39-Y75 HydrophobicContact CE2-CE2 4.36Å; F39-Y75 AromaticContact CE2-CG 3.53Å; F39-Y75 HydrophobicContact CE2-CG 3.53Å; F39-L109 HydrophobicContact CE1-CD1 4.23Å; F39-F112 HydrophobicContact CB-CD2 4.4Å; F39-F112 HydrophobicContact CB-CE2 4.1Å; F39-F112 HydrophobicContact CB-CZ 4.32Å; F39-F112 HydrophobicContact CD1-CB 4.08Å; F39-F112 AromaticContact CD1-CD1 3.49Å; F39-F112 HydrophobicContact CD1-CD1 3.49Å; F39-F112 VanDerWaalsContact CD1-CD1 3.49Å; F39-F112 AromaticContact CD1-CD2 3.8Å; F39-F112 HydrophobicContact CD1-CD2 3.8Å; F39-F112 AromaticContact CD1-CE1 3.79Å; F39-F112 HydrophobicContact CD1-CE1 3.79Å; F39-F112 HydrophobicContact CD1-CE2 4.08Å; F39-F112 AromaticContact CD1-CG 3.49Å; F39-F112 HydrophobicContact CD1-CG 3.49Å; F39-F112 VanDerWaalsContact CD1-CG 3.49Å; F39-F112 HydrophobicContact CD1-CZ 4.06Å; F39-F112 HydrophobicContact CD2-CD2 4.07Å; F39-F112 HydrophobicContact CD2-CG 4.32Å; F39-F112 HydrophobicContact CE1-CB 3.42Å; F39-F112 VanDerWaalsContact CE1-CB 3.42Å; F39-F112 AromaticContact CE1-CD1 3.48Å; F39-F112 HydrophobicContact CE1-CD1 3.48Å; F39-F112 VanDerWaalsContact CE1-CD1 3.48Å; F39-F112 HydrophobicContact CE1-CD2 4.05Å; F39-F112 HydrophobicContact CE1-CE1 4.24Å; F39-F112 AromaticContact CE1-CG 3.36Å; F39-F112 HydrophobicContact CE1-CG 3.36Å; F39-F112 HydrophobicContact CE2-CB 3.94Å; F39-F112 HydrophobicContact CE2-CD2 4.28Å; F39-F112 HydrophobicContact CE2-CG 4.18Å; F39-F112 HydrophobicContact CG-CD1 4.35Å; F39-F112 AromaticContact CG-CD2 3.84Å; F39-F112 HydrophobicContact CG-CD2 3.84Å; F39-F112 HydrophobicContact CG-CE2 4.02Å; F39-F112 HydrophobicContact CG-CG 4.01Å; F39-F112 HydrophobicContact CG-CZ 4.34Å; F39-F112 HydrophobicContact CZ-CB 3.34Å; F39-F112 HydrophobicContact CZ-CD1 4.3Å; F39-F112 HydrophobicContact CZ-CD2 4.28Å; F39-F112 AromaticContact CZ-CG 3.73Å; F39-F112 HydrophobicContact CZ-CG 3.73Å
40A98Very high97.5Very high28 Ų2863 Ų6323%0.23131%0.309CS..Hα-helixtrans-59.2-43.617600000111.7N36 R42 V43 M44N36-A40 WeakPolarHBondContact O-CB 3.39Å; N36-A40 PolarHBondContact O-N 2.98Å; A40-R42 PolarHBondContact O-N 3Å; A40-V43 PolarHBondContact O-N 2.89Å; A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 3.29Å
41R98.1Very high97.3Very high150 Ų15065.1 Ų65.157%0.56632%0.317SS*.Hα-helixtrans-60.7-42.8174.5-74.4176.7-172.9121.2-1.9112.3L37 Y38 F39 M44 Q45L37-R41 WeakPolarHBondContact O-CB 3.39Å; L37-R41 VanDerWaalsContact O-CG 3.23Å; L37-R41 WeakPolarHBondContact O-CG 3.38Å; L37-R41 PolarHBondContact O-N 3.16Å; Y38-R41 PolarHBondContact O-N 3.48Å; F39-R41 VanDerWaalsContact C-N 3.33Å; F39-R41 PolarHBondContact O-N 2.96Å; R41-M44 HydrophobicContact CB-CE 4.38Å; R41-M44 HydrophobicContact CG-CE 3.97Å; R41-M44 PolarHBondContact O-N 3.42Å; R41-Q45 WeakPolarHBondContact O-CB 3.38Å; R41-Q45 PolarHBondContact O-N 3.02Å
42R97.9Very high97.2Very high63 Ų6362.5 Ų62.524%0.23830%0.298CS..Hα-helixtrans-63.4-39.7176.9-70.9-65.2-60.7152.1-0.3112.4Y38 F39 A40 Q45 A46 F112Y38-R42 HydrophobicContact CD2-CG 4.27Å; Y38-R42 HydrophobicContact CE1-CG 4.32Å; Y38-R42 HydrophobicContact CE2-CG 3.79Å; Y38-R42 WeakPolarHBondContact O-CG 3.49Å; Y38-R42 PolarHBondContact O-N 2.94Å; F39-R42 PolarHBondContact O-N 3.1Å; F39-R42 VanDerWaalsContact O-N 3.16Å; A40-R42 PolarHBondContact O-N 3Å; R42-Q45 VanDerWaalsContact NH1-CD 3.28Å; R42-Q45 PolarHBondContact O-N 2.89Å; R42-A46 WeakPolarHBondContact O-CB 3.24Å; R42-A46 PolarHBondContact O-N 3.33Å; R42-F112 HydrophobicContact CB-CE1 3.95Å; R42-F112 HydrophobicContact CB-CZ 3.76Å; R42-F112 HydrophobicContact CG-CE1 4.05Å; R42-F112 HydrophobicContact CG-CZ 4.36Å
43V97.6Very high96.9Very high10 Ų1069.6 Ų69.66%0.06133%0.332CS..Hα-helixtrans-62.7-47.1172.9166.90000111.2F39 A40 Q45 A46 R47 I68 H72F39-V43 PolarHBondContact O-N 3.35Å; A40-V43 PolarHBondContact O-N 2.89Å; V43-Q45 VanDerWaalsContact C-N 3.32Å; V43-Q45 PolarHBondContact O-N 3.42Å; V43-A46 PolarHBondContact O-N 3.22Å; V43-R47 WeakPolarHBondContact O-CG 3.41Å; V43-R47 PolarHBondContact O-N 3.36Å; V43-I68 HydrophobicContact CG2-CG2 3.97Å; V43-H72 HydrophobicContact CG2-CB 3.62Å
44M96.8Very high96.7Very high108 Ų10870.3 Ų70.353%0.53234%0.34SS..Hα-helixtrans-61.9-39.8178.5-70.4-173.8-65.500112.4A40 R41 R47 K48A40-M44 WeakPolarHBondContact O-CG 3.34Å; A40-M44 PolarHBondContact O-N 3.29Å; R41-M44 HydrophobicContact CB-CE 4.38Å; R41-M44 HydrophobicContact CG-CE 3.97Å; R41-M44 PolarHBondContact O-N 3.42Å; M44-R47 PolarHBondContact O-N 3.24Å; M44-K48 PolarHBondContact O-N 3.03Å
45Q97.2Very high96.6Very high86 Ų8674.8 Ų74.840%0.40236%0.363SS..Hα-helixtrans-63-48.3174.5179.5176.40.500111R41 R42 V43 R47 K48 E49R41-Q45 WeakPolarHBondContact O-CB 3.38Å; R41-Q45 PolarHBondContact O-N 3.02Å; R42-Q45 VanDerWaalsContact NH1-CD 3.28Å; R42-Q45 PolarHBondContact O-N 2.89Å; V43-Q45 VanDerWaalsContact C-N 3.32Å; V43-Q45 PolarHBondContact O-N 3.42Å; Q45-R47 VanDerWaalsContact C-N 3.3Å; Q45-R47 PolarHBondContact O-N 2.82Å; Q45-K48 WeakPolarHBondContact O-CB 3.34Å; Q45-K48 PolarHBondContact O-N 2.96Å; Q45-K48 VanDerWaalsContact O-N 3.08Å; Q45-E49 HydrophobicContact CG-CG 4.42Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3Å; Q45-E49 WeakPolarHBondContact O-CG 3.47Å; Q45-E49 PolarHBondContact O-N 3.38Å
46A97.1Very high96.4Very high0 Ų077.8 Ų77.80%038%0.378CS..Hα-helixtrans-61-36.717800000112.4R42 V43 K48 E49 H50 F65 I68R42-A46 WeakPolarHBondContact O-CB 3.24Å; R42-A46 PolarHBondContact O-N 3.33Å; V43-A46 PolarHBondContact O-N 3.22Å; A46-K48 VanDerWaalsContact C-N 3.26Å; A46-K48 PolarHBondContact O-N 3.28Å; A46-E49 PolarHBondContact O-N 3.2Å; A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-CD2 3.21Å; A46-H50 PolarHBondContact O-N 3.19Å; A46-F65 HydrophobicContact CB-CD2 3.96Å; A46-F65 HydrophobicContact CB-CE2 4.41Å; A46-I68 HydrophobicContact CB-CB 4.41Å; A46-I68 HydrophobicContact CB-CD1 3.78Å; A46-I68 HydrophobicContact CB-CG2 4.06Å
47R97Very high96.2Very high42 Ų4280.7 Ų80.716%0.15839%0.392CS..Hα-helixtrans-57.9-39.8174.3-74.1-178.2-178.3-78-11.3112.5V43 M44 Q45 N51 V52 I56 M57 F65 Q69V43-R47 WeakPolarHBondContact O-CG 3.41Å; V43-R47 PolarHBondContact O-N 3.36Å; M44-R47 PolarHBondContact O-N 3.24Å; Q45-R47 VanDerWaalsContact C-N 3.3Å; Q45-R47 PolarHBondContact O-N 2.82Å; R47-N51 PolarHBondContact O-N 3Å; R47-N51 VanDerWaalsContact O-N 3.12Å; R47-V52 HydrophobicContact CG-CB 4.46Å; R47-V52 PolarHBondContact O-N 3.21Å; R47-I56 PolarHBondContact NH1-O 3.48Å; R47-M57 PolarHBondContact NH2-O 2.93Å; R47-F65 HydrophobicContact CB-CE2 4.33Å; R47-F65 HydrophobicContact CG-CE2 3.49Å; R47-F65 VanDerWaalsContact CG-CE2 3.49Å; R47-F65 HydrophobicContact CG-CZ 3.86Å; R47-Q69 VanDerWaalsContact NH2-CD 3.35Å; R47-Q69 VanDerWaalsContact NH2-NE2 3.15Å; R47-Q69 VanDerWaalsContact NH2-OE1 3.16Å
48K95.9Very high96.1Very high172 Ų17282 Ų8275%0.74839%0.393SS*.Hα-helixtrans-71.4-43.7177.2-64.5-178.4-179.9-172.80111.7M44 Q45 A46 H50M44-K48 PolarHBondContact O-N 3.03Å; Q45-K48 WeakPolarHBondContact O-CB 3.34Å; Q45-K48 PolarHBondContact O-N 2.96Å; Q45-K48 VanDerWaalsContact O-N 3.08Å; A46-K48 VanDerWaalsContact C-N 3.26Å; A46-K48 PolarHBondContact O-N 3.28Å; K48-H50 VanDerWaalsContact C-N 3.31Å; K48-H50 PolarHBondContact O-N 3.43Å
49E95.9Very high96Very high104 Ų10480.1 Ų80.149%0.48639%0.388SS..Hα-helixtrans-64.9-35.8-179.5-70.2169.3178.500112.3Q45 A46Q45-E49 HydrophobicContact CG-CG 4.42Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3Å; Q45-E49 WeakPolarHBondContact O-CG 3.47Å; Q45-E49 PolarHBondContact O-N 3.38Å; A46-E49 PolarHBondContact O-N 3.2Å
50H94.5Very high95.8Very high35 Ų3585.6 Ų85.616%0.16242%0.423CS..THydrogen-bonded Turntrans-103.610.1-175.4-62.9-81.4000113.7A46 K48 V52 D62 F65A46-H50 WeakPolarHBondContact O-CB 3.44Å; A46-H50 PolarHBondContact O-CD2 3.21Å; A46-H50 PolarHBondContact O-N 3.19Å; K48-H50 VanDerWaalsContact C-N 3.31Å; K48-H50 PolarHBondContact O-N 3.43Å; H50-V52 VanDerWaalsContact C-N 3.27Å; H50-V52 HydrophobicContact CB-CG2 4.03Å; H50-V52 PolarHBondContact O-N 2.94Å; H50-D62 IonicContact CE1-OD1 3.41Å; H50-D62 IonicContact CE1-OD2 3.28Å; H50-D62 PolarHBondContact CE1-OD2 3.23Å; H50-D62 VanDerWaalsContact CE1-OD2 3.28Å; H50-D62 IonicContact CG-OD2 3.26Å; H50-D62 VanDerWaalsContact ND1-CG 3.31Å; H50-D62 IonicContact ND1-OD1 3Å; H50-D62 IonicContact ND1-OD2 3.63Å; H50-D62 PolarHBondContact ND1-OD2 3.44Å; H50-F65 HydrophobicContact CB-CB 4.08Å; H50-F65 HydrophobicContact CB-CD2 4.36Å; H50-F65 HydrophobicContact CB-CG 4.4Å
51N94.6Very high95.6Very high138 Ų13890 Ų9074%0.73845%0.447SS*.THydrogen-bonded Turntrans49.143.3179.3-58.9-59.5000114.1R47 E53R47-N51 PolarHBondContact O-N 3Å; R47-N51 VanDerWaalsContact O-N 3.12Å; N51-E53 PolarHBondContact O-N 2.95Å
52V94.9Very high95.4Very high11 Ų1184.7 Ų84.77%0.06743%0.43CS..  trans-90.3101179.6-174.80000109.8R47 H50 I56 H59 F65R47-V52 HydrophobicContact CG-CB 4.46Å; R47-V52 PolarHBondContact O-N 3.21Å; H50-V52 VanDerWaalsContact C-N 3.27Å; H50-V52 HydrophobicContact CB-CG2 4.03Å; H50-V52 PolarHBondContact O-N 2.94Å; V52-I56 HydrophobicContact CG1-CB 4.12Å; V52-I56 HydrophobicContact CG1-CG2 4.09Å; V52-H59 HydrophobicContact CG2-CB 4.19Å; V52-F65 HydrophobicContact CB-CE1 4.18Å; V52-F65 HydrophobicContact CB-CE2 4.21Å; V52-F65 HydrophobicContact CB-CZ 3.96Å; V52-F65 HydrophobicContact CG1-CE1 3.8Å; V52-F65 HydrophobicContact CG1-CZ 3.8Å; V52-F65 HydrophobicContact CG2-CD1 3.75Å; V52-F65 HydrophobicContact CG2-CD2 3.9Å; V52-F65 HydrophobicContact CG2-CE1 3.77Å; V52-F65 HydrophobicContact CG2-CE2 3.96Å; V52-F65 HydrophobicContact CG2-CG 3.8Å; V52-F65 HydrophobicContact CG2-CZ 3.88Å
53E93.4Very high95.3Very high150 Ų15087.4 Ų87.470%0.70144%0.444SS*.  trans-67.5150.2177.3-63.3-174.4171.700112.6N51 I56N51-E53 PolarHBondContact O-N 2.95Å; E53-I56 VanDerWaalsContact O-CB 3.26Å; E53-I56 WeakPolarHBondContact O-CB 3.36Å; E53-I56 PolarHBondContact O-N 3.33Å
54L92.9Very high95.3Very high142 Ų14289.9 Ų89.974%0.74346%0.456SS*.THydrogen-bonded Turntrans-75.3142.5170-60174.1000108.7
55P95Very high95.3Very high131 Ų13184.8 Ų84.885%0.85143%0.431SS*.THydrogen-bonded Turncis-962010.438.3-36.5000114.2M57P55-M57 PolarHBondContact O-N 3.37Å
56I94.4Very high95.3Very high85 Ų8582.5 Ų82.544%0.43642%0.422SS..  trans-67119.5-172.8-59.1172.1000109.8R47 V52 E53 Y58R47-I56 PolarHBondContact NH1-O 3.48Å; V52-I56 HydrophobicContact CG1-CB 4.12Å; V52-I56 HydrophobicContact CG1-CG2 4.09Å; E53-I56 VanDerWaalsContact O-CB 3.26Å; E53-I56 WeakPolarHBondContact O-CB 3.36Å; E53-I56 PolarHBondContact O-N 3.33Å; I56-Y58 WeakPolarHBondContact CG2-O 3.29Å
57M95Very high95.3Very high92 Ų9282.8 Ų82.845%0.45342%0.424SS..  trans-78.8-43.2-178.6-175.3177-92.200112.1R47 P55 F65 Q69 Q73R47-M57 PolarHBondContact NH2-O 2.93Å; P55-M57 PolarHBondContact O-N 3.37Å; M57-F65 VanDerWaalsContact O-CE1 3.31Å; M57-F65 WeakPolarHBondContact O-CE1 3.24Å; M57-Q69 HydrophobicContact CG-CG 4.31Å; M57-Q69 WeakPolarHBondContact O-CG 3.36Å; M57-Q73 PolarHBondContact SD-NE2 3.5Å
58Y96Very high95.4Very high87 Ų8781 Ų8134%0.34142%0.417SS..SBendtrans-126.2140-175.2-72.4-77000109.9I56 N66 Q69 R70 Q73I56-Y58 WeakPolarHBondContact CG2-O 3.29Å; Y58-N66 WeakPolarHBondContact CA-OD1 3.36Å; Y58-N66 WeakPolarHBondContact CB-OD1 3.42Å; Y58-N66 HydrophobicContact CD1-CB 3.89Å; Y58-N66 WeakPolarHBondContact CD1-OD1 3.44Å; Y58-N66 HydrophobicContact CE1-CB 4.42Å; Y58-Q69 HydrophobicContact CD1-CG 4.31Å; Y58-Q69 HydrophobicContact CE1-CB 4.26Å; Y58-Q69 HydrophobicContact CE1-CG 4Å; Y58-R70 HydrophobicContact CE1-CB 4.3Å; Y58-Q73 PolarHBondContact OH-OE1 3.04Å
59H94.6Very high95.5Very high48 Ų4873.5 Ų73.522%0.22239%0.385CS..  trans-77.1140.3173.1-167.2-89.6000109.7V52 T61 D62 F65 N66V52-H59 HydrophobicContact CG2-CB 4.19Å; H59-T61 VanDerWaalsContact C-N 3.29Å; H59-T61 PolarHBondContact CE1-OG1 2.8Å; H59-T61 PolarHBondContact ND1-N 2.89Å; H59-T61 PolarHBondContact ND1-OG1 3.16Å; H59-T61 PolarHBondContact O-N 2.92Å; H59-D62 HydrophobicContact CB-CB 3.65Å; H59-D62 VanDerWaalsContact CG-CB 3.44Å; H59-D62 WeakPolarHBondContact ND1-CB 3.35Å; H59-D62 PolarHBondContact ND1-N 2.87Å; H59-F65 HydrophobicContact CB-CD1 3.8Å; H59-F65 HydrophobicContact CB-CG 4.48Å; H59-N66 PolarHBondContact N-OD1 3.27Å; H59-N66 PolarHBondContact O-ND2 2.93Å; H59-N66 PolarHBondContact O-OD1 2.97Å
60P94.1Very high95.5Very high116 Ų11671.7 Ų71.775%0.75337%0.373SS*.SBendtrans-61.1-34.5-177.722.2-34.4000113.6
61T94.5Very high95.6Very high119 Ų11970 Ų7073%0.7337%0.366SS*.SBendtrans-125-10.7-173.655.50000114.3H59 K63H59-T61 VanDerWaalsContact C-N 3.29Å; H59-T61 PolarHBondContact CE1-OG1 2.8Å; H59-T61 PolarHBondContact ND1-N 2.89Å; H59-T61 PolarHBondContact ND1-OG1 3.16Å; H59-T61 PolarHBondContact O-N 2.92Å; T61-K63 PolarHBondContact O-N 2.92Å
62D94.8Very high95.8Very high39 Ų3964.5 Ų64.521%0.20934%0.336CS..  trans-93.995.4-170.5-165.1-46.7000109.5H50 H59 L64 F65 N66H50-D62 IonicContact CE1-OD1 3.41Å; H50-D62 IonicContact CE1-OD2 3.28Å; H50-D62 PolarHBondContact CE1-OD2 3.23Å; H50-D62 VanDerWaalsContact CE1-OD2 3.28Å; H50-D62 IonicContact CG-OD2 3.26Å; H50-D62 VanDerWaalsContact ND1-CG 3.31Å; H50-D62 IonicContact ND1-OD1 3Å; H50-D62 IonicContact ND1-OD2 3.63Å; H50-D62 PolarHBondContact ND1-OD2 3.44Å; H59-D62 HydrophobicContact CB-CB 3.65Å; H59-D62 VanDerWaalsContact CG-CB 3.44Å; H59-D62 WeakPolarHBondContact ND1-CB 3.35Å; H59-D62 PolarHBondContact ND1-N 2.87Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.89Å; D62-L64 WeakPolarHBondContact OD1-CA 3.1Å; D62-L64 WeakPolarHBondContact OD1-CB 3.24Å; D62-L64 PolarHBondContact OD1-N 2.89Å; D62-F65 HydrophobicContact CB-CB 4.15Å; D62-F65 PolarHBondContact OD1-N 3.43Å; D62-N66 WeakPolarHBondContact O-CB 3.41Å; D62-N66 PolarHBondContact O-N 3.5Å; D62-N66 VanDerWaalsContact O-N 3.09Å; D62-N66 PolarHBondContact O-ND2 3.44Å
63K95.6Very high96Very high121 Ų12165.8 Ų65.853%0.52634%0.341SS..Hα-helixtrans-63.6-34.2-179.5-169178.6178.5-173.30112T61 N66 C67 G118 P120T61-K63 PolarHBondContact O-N 2.92Å; K63-N66 PolarHBondContact O-N 3.27Å; K63-C67 WeakPolarHBondContact O-CB 3.4Å; K63-C67 PolarHBondContact O-N 3.37Å; K63-C67 PolarHBondContact O-SG 2.9Å; K63-C67 VanDerWaalsContact O-SG 3.35Å; K63-G118 WeakPolarHBondContact CD-O 3.48Å; K63-G118 WeakPolarHBondContact CE-O 3.43Å; K63-P120 VanDerWaalsContact CE-CD 3.47Å
64L96.8Very high96.2Very high62 Ų6259.7 Ų59.733%0.32531%0.313SS..Hα-helixtrans-67.4-48.6-178177.859.7000110.6D62 N66 C67 I68 A116D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 2.89Å; D62-L64 WeakPolarHBondContact OD1-CA 3.1Å; D62-L64 WeakPolarHBondContact OD1-CB 3.24Å; D62-L64 PolarHBondContact OD1-N 2.89Å; L64-N66 PolarHBondContact O-N 3.33Å; L64-C67 VanDerWaalsContact O-CB 3.29Å; L64-C67 WeakPolarHBondContact O-CB 3.4Å; L64-C67 PolarHBondContact O-N 2.96Å; L64-I68 HydrophobicContact CD1-CD1 4.26Å; L64-I68 HydrophobicContact CG-CD1 4.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.42Å; L64-A116 VanDerWaalsContact CD1-O 3.28Å; L64-A116 WeakPolarHBondContact CD1-O 3.18Å
65F97.1Very high96.4Very high0 Ų053 Ų530%028%0.278CS..Hα-helixtrans-58.5-49.8174.9173.9-99.8000111.5A46 R47 H50 V52 M57 H59 D62 C67 I68 Q69A46-F65 HydrophobicContact CB-CD2 3.96Å; A46-F65 HydrophobicContact CB-CE2 4.41Å; R47-F65 HydrophobicContact CB-CE2 4.33Å; R47-F65 HydrophobicContact CG-CE2 3.49Å; R47-F65 VanDerWaalsContact CG-CE2 3.49Å; R47-F65 HydrophobicContact CG-CZ 3.86Å; H50-F65 HydrophobicContact CB-CB 4.08Å; H50-F65 HydrophobicContact CB-CD2 4.36Å; H50-F65 HydrophobicContact CB-CG 4.4Å; V52-F65 HydrophobicContact CB-CE1 4.18Å; V52-F65 HydrophobicContact CB-CE2 4.21Å; V52-F65 HydrophobicContact CB-CZ 3.96Å; V52-F65 HydrophobicContact CG1-CE1 3.8Å; V52-F65 HydrophobicContact CG1-CZ 3.8Å; V52-F65 HydrophobicContact CG2-CD1 3.75Å; V52-F65 HydrophobicContact CG2-CD2 3.9Å; V52-F65 HydrophobicContact CG2-CE1 3.77Å; V52-F65 HydrophobicContact CG2-CE2 3.96Å; V52-F65 HydrophobicContact CG2-CG 3.8Å; V52-F65 HydrophobicContact CG2-CZ 3.88Å; M57-F65 VanDerWaalsContact O-CE1 3.31Å; M57-F65 WeakPolarHBondContact O-CE1 3.24Å; H59-F65 HydrophobicContact CB-CD1 3.8Å; H59-F65 HydrophobicContact CB-CG 4.48Å; D62-F65 HydrophobicContact CB-CB 4.15Å; D62-F65 PolarHBondContact OD1-N 3.43Å; F65-C67 PolarHBondContact O-N 2.86Å; F65-I68 PolarHBondContact O-N 2.88Å; F65-I68 VanDerWaalsContact O-N 3.13Å; F65-Q69 HydrophobicContact CE1-CB 4.45Å; F65-Q69 HydrophobicContact CZ-CB 4.45Å; F65-Q69 WeakPolarHBondContact O-CB 3.22Å; F65-Q69 PolarHBondContact O-N 2.92Å
66N97.2Very high96.5Very high39 Ų3950.3 Ų50.321%0.20926%0.256CS..Hα-helixtrans-57.8-35.6179.1-70.5-11.6000111.7Y58 H59 D62 K63 L64 R70Y58-N66 WeakPolarHBondContact CA-OD1 3.36Å; Y58-N66 WeakPolarHBondContact CB-OD1 3.42Å; Y58-N66 HydrophobicContact CD1-CB 3.89Å; Y58-N66 WeakPolarHBondContact CD1-OD1 3.44Å; Y58-N66 HydrophobicContact CE1-CB 4.42Å; H59-N66 PolarHBondContact N-OD1 3.27Å; H59-N66 PolarHBondContact O-ND2 2.93Å; H59-N66 PolarHBondContact O-OD1 2.97Å; D62-N66 WeakPolarHBondContact O-CB 3.41Å; D62-N66 PolarHBondContact O-N 3.5Å; D62-N66 VanDerWaalsContact O-N 3.09Å; D62-N66 PolarHBondContact O-ND2 3.44Å; K63-N66 PolarHBondContact O-N 3.27Å; L64-N66 PolarHBondContact O-N 3.33Å; N66-R70 VanDerWaalsContact O-CB 3.31Å; N66-R70 WeakPolarHBondContact O-CB 3Å; N66-R70 PolarHBondContact O-N 3.3Å
67C97.6Very high96.7Very high6 Ų650.9 Ų50.94%0.04126%0.257CS..Hα-helixtrans-65.5-49.7176.1-92.30000113.2K63 L64 F65 Q69 R70 G71 Y115K63-C67 WeakPolarHBondContact O-CB 3.4Å; K63-C67 PolarHBondContact O-N 3.37Å; K63-C67 PolarHBondContact O-SG 2.9Å; K63-C67 VanDerWaalsContact O-SG 3.35Å; L64-C67 VanDerWaalsContact O-CB 3.29Å; L64-C67 WeakPolarHBondContact O-CB 3.4Å; L64-C67 PolarHBondContact O-N 2.96Å; F65-C67 PolarHBondContact O-N 2.86Å; C67-Q69 VanDerWaalsContact C-N 3.32Å; C67-Q69 PolarHBondContact O-N 2.96Å; C67-R70 PolarHBondContact O-N 3.43Å; C67-G71 PolarHBondContact O-N 3.27Å; C67-Y115 VanDerWaalsContact C-CD1 3.44Å; C67-Y115 HydrophobicContact CB-CD1 3.45Å; C67-Y115 VanDerWaalsContact CB-CD1 3.45Å; C67-Y115 HydrophobicContact CB-CE1 3.75Å; C67-Y115 VanDerWaalsContact CB-O 3.22Å; C67-Y115 WeakPolarHBondContact CB-O 3.38Å; C67-Y115 WeakPolarHBondContact O-CD1 3.21Å; C67-Y115 WeakPolarHBondContact O-CE1 3.44Å; C67-Y115 WeakPolarHBondContact SG-CD1 3.47Å; C67-Y115 WeakPolarHBondContact SG-CE1 3.45Å
68I97.9Very high96.8Very high3 Ų348.8 Ų48.82%0.01525%0.249CC..Hα-helixtrans-60.5-45.4177.2-66.8168.8000110.3V43 A46 L64 F65 G71 H72 F112 A116V43-I68 HydrophobicContact CG2-CG2 3.97Å; A46-I68 HydrophobicContact CB-CB 4.41Å; A46-I68 HydrophobicContact CB-CD1 3.78Å; A46-I68 HydrophobicContact CB-CG2 4.06Å; L64-I68 HydrophobicContact CD1-CD1 4.26Å; L64-I68 HydrophobicContact CG-CD1 4.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.42Å; F65-I68 PolarHBondContact O-N 2.88Å; F65-I68 VanDerWaalsContact O-N 3.13Å; I68-G71 PolarHBondContact O-N 3.35Å; I68-H72 PolarHBondContact O-N 2.85Å; I68-F112 HydrophobicContact CG2-CE2 4.48Å; I68-F112 HydrophobicContact CG2-CZ 4.03Å; I68-F112 WeakPolarHBondContact O-CE2 3.48Å; I68-A116 HydrophobicContact CG1-CB 3.88Å
69Q97.7Very high96.8Very high15 Ų1545.8 Ų45.87%0.0724%0.239CC..Hα-helixtrans-59.8-52.9177.8-178.572.20.900111.9R47 M57 Y58 F65 C67 G71 H72 Q73R47-Q69 VanDerWaalsContact NH2-CD 3.35Å; R47-Q69 VanDerWaalsContact NH2-NE2 3.15Å; R47-Q69 VanDerWaalsContact NH2-OE1 3.16Å; M57-Q69 HydrophobicContact CG-CG 4.31Å; M57-Q69 WeakPolarHBondContact O-CG 3.36Å; Y58-Q69 HydrophobicContact CD1-CG 4.31Å; Y58-Q69 HydrophobicContact CE1-CB 4.26Å; Y58-Q69 HydrophobicContact CE1-CG 4Å; F65-Q69 HydrophobicContact CE1-CB 4.45Å; F65-Q69 HydrophobicContact CZ-CB 4.45Å; F65-Q69 WeakPolarHBondContact O-CB 3.22Å; F65-Q69 PolarHBondContact O-N 2.92Å; C67-Q69 VanDerWaalsContact C-N 3.32Å; C67-Q69 PolarHBondContact O-N 2.96Å; Q69-G71 VanDerWaalsContact C-N 3.29Å; Q69-G71 PolarHBondContact O-N 2.98Å; Q69-H72 PolarHBondContact O-N 3.37Å; Q69-Q73 WeakPolarHBondContact O-CG 3.35Å; Q69-Q73 PolarHBondContact O-N 3.3Å
70R97.1Very high97Very high66 Ų6647.3 Ų47.325%0.24925%0.253CS..Hα-helixtrans-63.5-36.9-179.4-179.564-168.1113.7-10.1111.8Y58 N66 C67 Q73 N74 E77 Y115Y58-R70 HydrophobicContact CE1-CB 4.3Å; N66-R70 VanDerWaalsContact O-CB 3.31Å; N66-R70 WeakPolarHBondContact O-CB 3Å; N66-R70 PolarHBondContact O-N 3.3Å; C67-R70 PolarHBondContact O-N 3.43Å; R70-Q73 PolarHBondContact O-N 3.27Å; R70-N74 VanDerWaalsContact NH1-CA 3.35Å; R70-N74 VanDerWaalsContact NH1-N 3.17Å; R70-N74 WeakPolarHBondContact O-CB 3.36Å; R70-N74 PolarHBondContact O-N 2.97Å; R70-E77 IonicContact CZ-OE1 3.61Å; R70-E77 IonicContact CZ-OE2 3.33Å; R70-E77 IonicContact NH1-OE1 3.6Å; R70-E77 PolarHBondContact NH1-OE1 3.21Å; R70-E77 IonicContact NH1-OE2 2.62Å; R70-E77 PolarHBondContact NH1-OE2 2.9Å; R70-E77 IonicContact NH2-OE1 3.59Å; R70-E77 PolarHBondContact NH2-OE1 3.39Å; R70-E77 IonicContact NH2-OE2 2.74Å; R70-E77 PolarHBondContact NH2-OE2 3.39Å; R70-Y115 HydrophobicContact CB-CE1 4.05Å; R70-Y115 HydrophobicContact CG-CE1 4.3Å; R70-Y115 HydrophobicContact CG-CE2 4.31Å; R70-Y115 WeakPolarHBondContact CG-OH 3.3Å
71G97.4Very high97.1Very high1 Ų148.7 Ų48.71%0.0125%0.248CC..Hα-helixtrans-58-46.817600000112.4C67 I68 Q69 Y75C67-G71 PolarHBondContact O-N 3.27Å; I68-G71 PolarHBondContact O-N 3.35Å; Q69-G71 VanDerWaalsContact C-N 3.29Å; Q69-G71 PolarHBondContact O-N 2.98Å; G71-Y75 PolarHBondContact O-N 3.42Å
72H98.2Very high97.2Very high21 Ų2143.4 Ų43.410%0.09722%0.215CC..Hα-helixtrans-67.6-44.2176.8-178.3-150.6000112N36 F39 V43 I68 Q69 N74 Y75 L76 F112N36-H72 PolarHBondContact OD1-NE2 3.5Å; F39-H72 HydrophobicContact CB-CB 4.11Å; F39-H72 WeakPolarHBondContact CB-CD2 3.47Å; V43-H72 HydrophobicContact CG2-CB 3.62Å; I68-H72 PolarHBondContact O-N 2.85Å; Q69-H72 PolarHBondContact O-N 3.37Å; H72-N74 VanDerWaalsContact C-N 3.3Å; H72-N74 PolarHBondContact O-N 3.35Å; H72-Y75 WeakPolarHBondContact O-CA 3.28Å; H72-Y75 VanDerWaalsContact O-CB 3.29Å; H72-Y75 WeakPolarHBondContact O-CB 3.41Å; H72-Y75 PolarHBondContact O-N 2.81Å; H72-L76 PolarHBondContact O-N 3.46Å; H72-L76 VanDerWaalsContact O-N 3.09Å; H72-F112 HydrophobicContact CB-CE2 4.11Å
73Q97.9Very high97.4Very high38 Ų3843.8 Ų43.818%0.17822%0.216CC..Hα-helixtrans-60-40.7177.6-72.1-174.7-4600112.5M57 Y58 Q69 R70 Y75 L76 E77M57-Q73 PolarHBondContact SD-NE2 3.5Å; Y58-Q73 PolarHBondContact OH-OE1 3.04Å; Q69-Q73 WeakPolarHBondContact O-CG 3.35Å; Q69-Q73 PolarHBondContact O-N 3.3Å; R70-Q73 PolarHBondContact O-N 3.27Å; Q73-Y75 PolarHBondContact O-N 3.45Å; Q73-L76 WeakPolarHBondContact O-CB 3.48Å; Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.11Å; Q73-E77 WeakPolarHBondContact O-CG 3.4Å; Q73-E77 PolarHBondContact O-N 2.89Å
74N97.5Very high97.5Very high23 Ų2342.8 Ų42.812%0.12322%0.215CC..Hα-helixtrans-61.5-37.5176.3-173.4-105.9000111.2R70 H72 E77 V78 R108 Y111R70-N74 VanDerWaalsContact NH1-CA 3.35Å; R70-N74 VanDerWaalsContact NH1-N 3.17Å; R70-N74 WeakPolarHBondContact O-CB 3.36Å; R70-N74 PolarHBondContact O-N 2.97Å; H72-N74 VanDerWaalsContact C-N 3.3Å; H72-N74 PolarHBondContact O-N 3.35Å; N74-E77 PolarHBondContact ND2-OE2 3.3Å; N74-E77 PolarHBondContact O-N 3.28Å; N74-V78 WeakPolarHBondContact O-CG2 3.38Å; N74-V78 PolarHBondContact O-N 3.48Å; N74-R108 PolarHBondContact O-NH2 2.93Å; N74-R108 VanDerWaalsContact OD1-CZ 3.31Å; N74-R108 PolarHBondContact OD1-NH1 3.02Å; N74-R108 PolarHBondContact OD1-NH2 3.09Å; N74-Y111 HydrophobicContact CB-CE1 4.27Å
75Y98Very high97.5Very high2 Ų240.2 Ų40.21%0.00820%0.202CC..Hα-helixtrans-59.6-47.1173.3-174.5-108.5000112A32 L35 N36 F39 G71 H72 Q73 E77 V78 L79 L105 R108A32-Y75 WeakPolarHBondContact CA-OH 3.45Å; A32-Y75 PolarHBondContact O-OH 3.38Å; L35-Y75 HydrophobicContact CD2-CE2 3.8Å; N36-Y75 HydrophobicContact CB-CD1 4.41Å; N36-Y75 HydrophobicContact CB-CE1 3.84Å; F39-Y75 AromaticContact CD2-CD1 3.76Å; F39-Y75 HydrophobicContact CD2-CD1 3.76Å; F39-Y75 HydrophobicContact CD2-CD2 4.33Å; F39-Y75 HydrophobicContact CD2-CE1 4.48Å; F39-Y75 AromaticContact CD2-CG 3.66Å; F39-Y75 HydrophobicContact CD2-CG 3.66Å; F39-Y75 AromaticContact CE2-CD1 3.99Å; F39-Y75 HydrophobicContact CE2-CD1 3.99Å; F39-Y75 AromaticContact CE2-CD2 3.74Å; F39-Y75 HydrophobicContact CE2-CD2 3.74Å; F39-Y75 HydrophobicContact CE2-CE2 4.36Å; F39-Y75 AromaticContact CE2-CG 3.53Å; F39-Y75 HydrophobicContact CE2-CG 3.53Å; G71-Y75 PolarHBondContact O-N 3.42Å; H72-Y75 WeakPolarHBondContact O-CA 3.28Å; H72-Y75 VanDerWaalsContact O-CB 3.29Å; H72-Y75 WeakPolarHBondContact O-CB 3.41Å; H72-Y75 PolarHBondContact O-N 2.81Å; Q73-Y75 PolarHBondContact O-N 3.45Å; Y75-E77 VanDerWaalsContact C-N 3.34Å; Y75-E77 PolarHBondContact O-N 3.45Å; Y75-V78 PolarHBondContact O-N 2.94Å; Y75-L79 HydrophobicContact CE1-CD1 4.1Å; Y75-L79 HydrophobicContact CE1-CD2 4.04Å; Y75-L79 HydrophobicContact CE1-CG 4.48Å; Y75-L79 WeakPolarHBondContact O-CB 3.32Å; Y75-L79 PolarHBondContact O-N 3.48Å; Y75-L105 HydrophobicContact CE2-CD2 4.39Å; Y75-R108 HydrophobicContact CD2-CB 3.89Å; Y75-R108 HydrophobicContact CD2-CG 4.05Å; Y75-R108 HydrophobicContact CE2-CB 3.92Å; Y75-R108 HydrophobicContact CE2-CG 4.02Å
76L98.1Very high97.5Very high74 Ų7440.2 Ų40.239%0.38720%0.202SC..Hα-helixtrans-62.9-35.7178.1-65.9175000113.2N36 H72 Q73 V78 P80N36-L76 VanDerWaalsContact OD1-CD2 3.29Å; N36-L76 WeakPolarHBondContact OD1-CD2 3.33Å; H72-L76 PolarHBondContact O-N 3.46Å; H72-L76 VanDerWaalsContact O-N 3.09Å; Q73-L76 WeakPolarHBondContact O-CB 3.48Å; Q73-L76 PolarHBondContact O-N 3.34Å; Q73-L76 VanDerWaalsContact O-N 3.11Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.29Å; L76-P80 WeakPolarHBondContact O-CD 3.3Å
77E97.8Very high97.5Very high97 Ų9741.8 Ų41.845%0.45321%0.208SC..Hα-helixtrans-61.3-34.9175.7-72158.5-158.100112.4R70 Q73 N74 Y75R70-E77 IonicContact CZ-OE1 3.61Å; R70-E77 IonicContact CZ-OE2 3.33Å; R70-E77 IonicContact NH1-OE1 3.6Å; R70-E77 PolarHBondContact NH1-OE1 3.21Å; R70-E77 IonicContact NH1-OE2 2.62Å; R70-E77 PolarHBondContact NH1-OE2 2.9Å; R70-E77 IonicContact NH2-OE1 3.59Å; R70-E77 PolarHBondContact NH2-OE1 3.39Å; R70-E77 IonicContact NH2-OE2 2.74Å; R70-E77 PolarHBondContact NH2-OE2 3.39Å; Q73-E77 WeakPolarHBondContact O-CG 3.4Å; Q73-E77 PolarHBondContact O-N 2.89Å; N74-E77 PolarHBondContact ND2-OE2 3.3Å; N74-E77 PolarHBondContact O-N 3.28Å; Y75-E77 VanDerWaalsContact C-N 3.34Å; Y75-E77 PolarHBondContact O-N 3.45Å
78V96.3Very high97.5Very high47 Ų4744.4 Ų44.429%0.28522%0.223SC..Hα-helixtrans-97.3-22.9-174.2-175.40000112.5N74 Y75 L76 F81 F82 F104N74-V78 WeakPolarHBondContact O-CG2 3.38Å; N74-V78 PolarHBondContact O-N 3.48Å; Y75-V78 PolarHBondContact O-N 2.94Å; L76-V78 VanDerWaalsContact C-N 3.28Å; L76-V78 PolarHBondContact O-N 3.29Å; V78-F81 PolarHBondContact O-N 2.99Å; V78-F82 PolarHBondContact O-N 3.35Å; V78-F104 HydrophobicContact CG1-CZ 3.7Å
79L97.3Very high97.3Very high24 Ų2444.3 Ų44.313%0.12622%0.223CC..Hα-helixtrans-55.7-44.3-174.2-178.763.2000113.9A32 Y75 F81 F82 L83A32-L79 HydrophobicContact CB-CD1 4.07Å; Y75-L79 HydrophobicContact CE1-CD1 4.1Å; Y75-L79 HydrophobicContact CE1-CD2 4.04Å; Y75-L79 HydrophobicContact CE1-CG 4.48Å; Y75-L79 WeakPolarHBondContact O-CB 3.32Å; Y75-L79 PolarHBondContact O-N 3.48Å; L79-F81 PolarHBondContact O-N 2.99Å; L79-F82 HydrophobicContact CD1-CD1 4.27Å; L79-F82 PolarHBondContact O-N 3.24Å; L79-L83 HydrophobicContact CD1-CD1 3.94Å; L79-L83 HydrophobicContact CD1-CD2 4.3Å; L79-L83 HydrophobicContact CD1-CG 3.86Å; L79-L83 HydrophobicContact CG-CD1 4Å; L79-L83 HydrophobicContact CG-CG 4.31Å; L79-L83 WeakPolarHBondContact O-CG 3.04Å; L79-L83 PolarHBondContact O-N 3.03Å
80P97.6Very high97.3Very high81 Ų8143.6 Ų43.653%0.52622%0.219SC..Hα-helixtrans-60.9-46.3179-24.534.5000113L76 F82 L83 M84L76-P80 WeakPolarHBondContact O-CD 3.3Å; P80-F82 VanDerWaalsContact C-N 3.34Å; P80-F82 PolarHBondContact O-N 2.95Å; P80-L83 PolarHBondContact O-N 2.97Å; P80-M84 WeakPolarHBondContact O-CB 3.33Å; P80-M84 PolarHBondContact O-N 2.91Å
81F96.1Very high97.1Very high145 Ų14544 Ų4464%0.63623%0.226SC*.Hα-helixtrans-64.6-40.1177.9-64.2-69.8000111.7V78 L79 A85V78-F81 PolarHBondContact O-N 2.99Å; L79-F81 PolarHBondContact O-N 2.99Å; F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 3.43Å
82F97.9Very high96.9Very high8 Ų850.7 Ų50.74%0.03525%0.251CS..Hα-helixtrans-61.4-49.5175.4169.2-104.1000111.9V28 A32 V78 L79 P80 A85 L86 F104 L105 M136V28-F82 HydrophobicContact CG1-CZ 3.93Å; A32-F82 HydrophobicContact CB-CD1 4.47Å; A32-F82 HydrophobicContact CB-CE1 3.93Å; V78-F82 PolarHBondContact O-N 3.35Å; L79-F82 HydrophobicContact CD1-CD1 4.27Å; L79-F82 PolarHBondContact O-N 3.24Å; P80-F82 VanDerWaalsContact C-N 3.34Å; P80-F82 PolarHBondContact O-N 2.95Å; F82-A85 PolarHBondContact O-N 3.41Å; F82-L86 HydrophobicContact CE1-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CB 4.47Å; F82-L86 HydrophobicContact CZ-CD2 3.97Å; F82-L86 WeakPolarHBondContact O-CB 3.23Å; F82-L86 PolarHBondContact O-N 3.48Å; F82-F104 HydrophobicContact CB-CE1 3.94Å; F82-F104 HydrophobicContact CB-CZ 4.34Å; F82-F104 HydrophobicContact CD1-CD1 4.47Å; F82-F104 HydrophobicContact CD1-CE1 4.4Å; F82-F104 HydrophobicContact CD2-CB 4.4Å; F82-F104 AromaticContact CD2-CD1 3.21Å; F82-F104 HydrophobicContact CD2-CD1 3.21Å; F82-F104 HydrophobicContact CD2-CD2 4.43Å; F82-F104 AromaticContact CD2-CE1 3.44Å; F82-F104 HydrophobicContact CD2-CE1 3.44Å; F82-F104 VanDerWaalsContact CD2-CE1 3.44Å; F82-F104 AromaticContact CD2-CG 3.77Å; F82-F104 HydrophobicContact CD2-CG 3.77Å; F82-F104 HydrophobicContact CD2-CZ 4.17Å; F82-F104 HydrophobicContact CE2-CB 3.91Å; F82-F104 AromaticContact CE2-CD1 3.32Å; F82-F104 HydrophobicContact CE2-CD1 3.32Å; F82-F104 HydrophobicContact CE2-CE1 4.03Å; F82-F104 AromaticContact CE2-CG 3.76Å; F82-F104 HydrophobicContact CE2-CG 3.76Å; F82-F104 AromaticContact CG-CD1 3.83Å; F82-F104 HydrophobicContact CG-CD1 3.83Å; F82-F104 AromaticContact CG-CE1 3.65Å; F82-F104 HydrophobicContact CG-CE1 3.65Å; F82-F104 HydrophobicContact CG-CZ 4.44Å; F82-F104 HydrophobicContact CZ-CD1 4.02Å; F82-L105 HydrophobicContact CD1-CD2 4.47Å; F82-L105 HydrophobicContact CE1-CD2 3.79Å; F82-L105 HydrophobicContact CE1-CG 4.21Å; F82-L105 HydrophobicContact CZ-CD1 4.44Å; F82-L105 HydrophobicContact CZ-CD2 3.97Å; F82-L105 HydrophobicContact CZ-CG 3.94Å; F82-M136 HydrophobicContact CD2-CE 4.03Å; F82-M136 HydrophobicContact CD2-SD 4.46Å; F82-M136 HydrophobicContact CE2-CE 3.77Å; F82-M136 HydrophobicContact CE2-SD 4.08Å
83L98Very high96.6Very high47 Ų4752.8 Ų52.825%0.24626%0.259CS..Hα-helixtrans-65.3-40.6-179.6-68.6177.6000111.6A32 L79 P80 L86 F87A32-L83 HydrophobicContact CB-CD2 4.1Å; L79-L83 HydrophobicContact CD1-CD1 3.94Å; L79-L83 HydrophobicContact CD1-CD2 4.3Å; L79-L83 HydrophobicContact CD1-CG 3.86Å; L79-L83 HydrophobicContact CG-CD1 4Å; L79-L83 HydrophobicContact CG-CG 4.31Å; L79-L83 WeakPolarHBondContact O-CG 3.04Å; L79-L83 PolarHBondContact O-N 3.03Å; P80-L83 PolarHBondContact O-N 2.97Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 PolarHBondContact O-N 3.48Å; L83-F87 HydrophobicContact CB-CD2 4.21Å; L83-F87 HydrophobicContact CB-CE2 4.07Å; L83-F87 HydrophobicContact CD2-CE2 3.86Å; L83-F87 HydrophobicContact CD2-CZ 4.33Å; L83-F87 HydrophobicContact CG-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.43Å; L83-F87 PolarHBondContact O-N 2.95Å
84M97.7Very high96.5Very high99 Ų9951.8 Ų51.849%0.48826%0.255SS..Hα-helixtrans-57.1-52.4173.1180-161.470.700110.6P80 L86 V88 L140P80-M84 WeakPolarHBondContact O-CB 3.33Å; P80-M84 PolarHBondContact O-N 2.91Å; M84-L86 PolarHBondContact O-N 3.21Å; M84-V88 HydrophobicContact CG-CG2 4.38Å; M84-V88 VanDerWaalsContact O-CB 3.24Å; M84-V88 WeakPolarHBondContact O-CB 3.42Å; M84-V88 VanDerWaalsContact O-CG2 3.24Å; M84-V88 WeakPolarHBondContact O-CG2 3.29Å; M84-V88 PolarHBondContact O-N 3.02Å; M84-L140 HydrophobicContact CE-CD2 4.02Å
85A97.3Very high96.5Very high8 Ų858.3 Ų58.37%0.06628%0.278CS..Hα-helixtrans-61.2-46.1178.400000111.7F81 F82 G89 Y97 M136 L140F81-A85 WeakPolarHBondContact O-CB 3.47Å; F81-A85 PolarHBondContact O-N 3.43Å; F82-A85 PolarHBondContact O-N 3.41Å; A85-G89 WeakPolarHBondContact O-CA 3.38Å; A85-G89 PolarHBondContact O-N 3.15Å; A85-Y97 VanDerWaalsContact O-CD1 3.3Å; A85-Y97 WeakPolarHBondContact O-CD1 3.41Å; A85-Y97 WeakPolarHBondContact O-CE1 3.22Å; A85-M136 HydrophobicContact CB-CE 4.29Å; A85-L140 HydrophobicContact CB-CD2 4.18Å
86L98.1Very high96.4Very high0 Ų061.4 Ų61.40%029%0.294CS..Hα-helixtrans-55.2-55.9179.7-179.465.3000111.9V25 V28 F82 L83 M84 G90 Y97 M136V25-L86 HydrophobicContact CG1-CD1 3.89Å; V25-L86 HydrophobicContact CG1-CG 3.74Å; V25-L86 VanDerWaalsContact CG1-O 3.29Å; V25-L86 WeakPolarHBondContact CG1-O 3.27Å; V28-L86 HydrophobicContact CB-CD1 4.22Å; V28-L86 HydrophobicContact CB-CD2 4.05Å; V28-L86 HydrophobicContact CG1-CD1 3.87Å; V28-L86 HydrophobicContact CG1-CD2 3.67Å; V28-L86 HydrophobicContact CG1-CG 4.45Å; F82-L86 HydrophobicContact CE1-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CB 4.47Å; F82-L86 HydrophobicContact CZ-CD2 3.97Å; F82-L86 WeakPolarHBondContact O-CB 3.23Å; F82-L86 PolarHBondContact O-N 3.48Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 PolarHBondContact O-N 3.48Å; M84-L86 PolarHBondContact O-N 3.21Å; L86-G90 WeakPolarHBondContact O-CA 3.39Å; L86-G90 PolarHBondContact O-N 2.96Å; L86-Y97 WeakPolarHBondContact CD1-O 3.41Å; L86-M136 HydrophobicContact CB-CE 3.91Å; L86-M136 HydrophobicContact CD1-CE 4.11Å
87F97.1Very high96.4Very high73 Ų7357.9 Ų57.932%0.3228%0.275SS..Hα-helixtrans-75.2-43.7-173.5-66-54.7000112.4Y22 V25 L83 L91Y22-F87 PolarHBondContact OH-O 3.14Å; V25-F87 HydrophobicContact CG1-CD1 3.94Å; V25-F87 HydrophobicContact CG1-CE1 4.44Å; L83-F87 HydrophobicContact CB-CD2 4.21Å; L83-F87 HydrophobicContact CB-CE2 4.07Å; L83-F87 HydrophobicContact CD2-CE2 3.86Å; L83-F87 HydrophobicContact CD2-CZ 4.33Å; L83-F87 HydrophobicContact CG-CE2 4.44Å; L83-F87 WeakPolarHBondContact O-CD2 3.43Å; L83-F87 PolarHBondContact O-N 2.95Å; F87-L91 WeakPolarHBondContact O-CG 3.38Å; F87-L91 PolarHBondContact O-N 3Å
88V96Very high96.4Very high61 Ų6155 Ų5537%0.3726%0.264SS..Hα-helixtrans-69.1-50.1-179.6177.60000110.6M84 G90 L91 L140 F143M84-V88 HydrophobicContact CG-CG2 4.38Å; M84-V88 VanDerWaalsContact O-CB 3.24Å; M84-V88 WeakPolarHBondContact O-CB 3.42Å; M84-V88 VanDerWaalsContact O-CG2 3.24Å; M84-V88 WeakPolarHBondContact O-CG2 3.29Å; M84-V88 PolarHBondContact O-N 3.02Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.37Å; V88-L91 VanDerWaalsContact O-CB 3.31Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 2.83Å; V88-L91 VanDerWaalsContact O-N 3.14Å; V88-L140 HydrophobicContact CB-CD1 4.07Å; V88-L140 HydrophobicContact CG1-CD1 3.69Å; V88-F143 HydrophobicContact CG1-CE1 4.24Å; V88-F143 WeakPolarHBondContact O-CE1 3.36Å
89G95.1Very high96.5Very high0 Ų055.5 Ų55.50%027%0.274CS..Hα-helixtrans-69.3-30.3-179.800000113.2A85 L91 R92 Y93 Y97A85-G89 WeakPolarHBondContact O-CA 3.38Å; A85-G89 PolarHBondContact O-N 3.15Å; G89-L91 PolarHBondContact O-N 2.99Å; G89-R92 PolarHBondContact O-N 2.97Å; G89-R92 VanDerWaalsContact O-N 3.1Å; G89-Y93 PolarHBondContact O-N 3.28Å; G89-Y97 WeakPolarHBondContact CA-OH 3.37Å
90G96.1Very high96.5Very high0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-59.6-24.6171.200000113.9Y22 L86 V88 R92 P94Y22-G90 VanDerWaalsContact CD2-O 3.31Å; Y22-G90 WeakPolarHBondContact CD2-O 3.31Å; L86-G90 WeakPolarHBondContact O-CA 3.39Å; L86-G90 PolarHBondContact O-N 2.96Å; V88-G90 VanDerWaalsContact C-N 3.3Å; V88-G90 PolarHBondContact O-N 3.37Å; G90-R92 PolarHBondContact O-N 3.21Å; G90-P94 VanDerWaalsContact O-CA 3.31Å; G90-P94 WeakPolarHBondContact O-CA 3.41Å; G90-P94 WeakPolarHBondContact O-CB 3.39Å; G90-P94 WeakPolarHBondContact O-CD 3.48Å
91L94.5Very high96.5Very high76 Ų7651.5 Ų51.540%0.39825%0.249SC..THydrogen-bonded Turntrans-67.2-27.1177.2-65.7169.9000111.6L18 P19 Y22 F87 V88 G89L18-L91 HydrophobicContact CD2-CD2 4.12Å; P19-L91 WeakPolarHBondContact CG-O 3.44Å; Y22-L91 HydrophobicContact CD2-CD2 4.37Å; Y22-L91 HydrophobicContact CE2-CD2 3.65Å; Y22-L91 HydrophobicContact CE2-CG 4.05Å; F87-L91 WeakPolarHBondContact O-CG 3.38Å; F87-L91 PolarHBondContact O-N 3Å; V88-L91 VanDerWaalsContact O-CB 3.31Å; V88-L91 WeakPolarHBondContact O-CB 3.46Å; V88-L91 PolarHBondContact O-N 2.83Å; V88-L91 VanDerWaalsContact O-N 3.14Å; G89-L91 PolarHBondContact O-N 2.99Å
92R91.7Very high96.6Very high141 Ų14147 Ų4753%0.53224%0.239SC..THydrogen-bonded Turntrans-99.6-40.9177.7-174.161.4173.6168.8-0112.3G89 G90 F143G89-R92 PolarHBondContact O-N 2.97Å; G89-R92 VanDerWaalsContact O-N 3.1Å; G90-R92 PolarHBondContact O-N 3.21Å; R92-F143 HydrophobicContact CB-CD1 3.9Å; R92-F143 HydrophobicContact CB-CD2 3.88Å; R92-F143 HydrophobicContact CB-CE1 3.99Å; R92-F143 HydrophobicContact CB-CE2 3.98Å; R92-F143 HydrophobicContact CB-CG 3.86Å; R92-F143 HydrophobicContact CB-CZ 4.03Å; R92-F143 HydrophobicContact CG-CD2 3.86Å; R92-F143 HydrophobicContact CG-CE2 4.19Å; R92-F143 HydrophobicContact CG-CG 4.14Å
93Y93Very high96.7Very high65 Ų6549.2 Ų49.226%0.25525%0.253SS..  trans-13063.3-171.7-51.1-70.8000111.9G89 R95 M96 Y97 F143 Q146G89-Y93 PolarHBondContact O-N 3.28Å; Y93-R95 PolarHBondContact O-N 3.08Å; Y93-M96 PolarHBondContact O-N 3.31Å; Y93-Y97 HydrophobicContact CD2-CE2 4Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.45Å; Y93-Y97 PolarHBondContact O-N 3.32Å; Y93-F143 HydrophobicContact CE2-CB 4.25Å; Y93-Q146 PolarHBondContact OH-OE1 3.35Å
94P95.5Very high96.7Very high17 Ų1748 Ų4811%0.1125%0.245CC..Hα-helixtrans-58-42.1-168.522.6-35.5000113.5P19 R20 V25 G90 T98P19-P94 HydrophobicContact CB-CB 4.47Å; P19-P94 HydrophobicContact CB-CG 3.9Å; R20-P94 VanDerWaalsContact O-CG 3.25Å; R20-P94 WeakPolarHBondContact O-CG 3.27Å; V25-P94 HydrophobicContact CG2-CB 4.24Å; G90-P94 VanDerWaalsContact O-CA 3.31Å; G90-P94 WeakPolarHBondContact O-CA 3.41Å; G90-P94 WeakPolarHBondContact O-CB 3.39Å; G90-P94 WeakPolarHBondContact O-CD 3.48Å; P94-T98 WeakPolarHBondContact O-CB 3.48Å; P94-T98 PolarHBondContact O-N 3.5Å; P94-T98 PolarHBondContact O-OG1 3.15Å
95R96.6Very high96.7Very high160 Ų16044 Ų4460%0.60423%0.226SC*.Hα-helixtrans-66.6-46.3180-63-178.2-175.1159.7-6.6112.3Y21 Y93 T98 A99Y21-R95 HydrophobicContact CD2-CG 4.05Å; Y21-R95 VanDerWaalsContact CD2-NE 3.26Å; Y21-R95 VanDerWaalsContact CE2-NE 3.28Å; Y21-R95 HydrophobicContact CG-CG 4.08Å; Y21-R95 VanDerWaalsContact CZ-NH2 3.34Å; Y21-R95 PolarHBondContact OH-NH2 3.25Å; Y93-R95 PolarHBondContact O-N 3.08Å; R95-T98 PolarHBondContact O-N 2.91Å; R95-A99 PolarHBondContact O-N 2.93Å
96M96.6Very high96.8Very high67 Ų6747.9 Ų47.933%0.3325%0.245SC..Hα-helixtrans-60.7-49178.5176.5-170.9165.200110.4Y93 T98 A99 C100 P135Y93-M96 PolarHBondContact O-N 3.31Å; M96-T98 VanDerWaalsContact C-N 3.32Å; M96-T98 PolarHBondContact O-N 3.11Å; M96-A99 PolarHBondContact O-N 3.38Å; M96-C100 VanDerWaalsContact O-CB 3.29Å; M96-C100 WeakPolarHBondContact O-CB 3.36Å; M96-C100 PolarHBondContact O-N 3.42Å; M96-C100 PolarHBondContact O-SG 3.31Å; M96-C100 VanDerWaalsContact O-SG 3.33Å; M96-P135 VanDerWaalsContact CE-C 3.48Å; M96-P135 HydrophobicContact CE-CB 3.68Å; M96-P135 WeakPolarHBondContact CE-O 3.22Å
97Y97.3Very high96.8Very high0 Ų047.9 Ų47.90%025%0.245CC..Hα-helixtrans-69.6-29.4-178.6-83.4-102.7000113.1A85 L86 G89 Y93 G101 M136 G139 L140A85-Y97 VanDerWaalsContact O-CD1 3.3Å; A85-Y97 WeakPolarHBondContact O-CD1 3.41Å; A85-Y97 WeakPolarHBondContact O-CE1 3.22Å; L86-Y97 WeakPolarHBondContact CD1-O 3.41Å; G89-Y97 WeakPolarHBondContact CA-OH 3.37Å; Y93-Y97 HydrophobicContact CD2-CE2 4Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.45Å; Y93-Y97 PolarHBondContact O-N 3.32Å; Y97-G101 WeakPolarHBondContact O-CA 3.39Å; Y97-G101 PolarHBondContact O-N 2.97Å; Y97-M136 HydrophobicContact CD1-CB 4.33Å; Y97-M136 HydrophobicContact CD1-CE 3.72Å; Y97-M136 HydrophobicContact CD1-CG 3.94Å; Y97-M136 HydrophobicContact CE1-CB 3.84Å; Y97-M136 HydrophobicContact CE1-CE 4.12Å; Y97-M136 HydrophobicContact CE1-CG 3.96Å; Y97-M136 PolarHBondContact OH-O 3.48Å; Y97-G139 VanDerWaalsContact OH-C 3.27Å; Y97-L140 WeakPolarHBondContact OH-CA 3.48Å; Y97-L140 WeakPolarHBondContact OH-CB 2.95Å; Y97-L140 PolarHBondContact OH-N 2.91Å
98T98.1Very high96.8Very high35 Ų3545 Ų4522%0.21523%0.232CC..Hα-helixtrans-62.4-52.8169.1-58.50000110.7G24 V25 V28 P94 R95 M96 A102G24-T98 VanDerWaalsContact C-OG1 3.22Å; G24-T98 WeakPolarHBondContact CA-OG1 3.38Å; V25-T98 PolarHBondContact N-OG1 3.31Å; V28-T98 HydrophobicContact CG2-CG2 4.14Å; V28-T98 WeakPolarHBondContact CG2-O 3.25Å; P94-T98 WeakPolarHBondContact O-CB 3.48Å; P94-T98 PolarHBondContact O-N 3.5Å; P94-T98 PolarHBondContact O-OG1 3.15Å; R95-T98 PolarHBondContact O-N 2.91Å; M96-T98 VanDerWaalsContact C-N 3.32Å; M96-T98 PolarHBondContact O-N 3.11Å; T98-A102 WeakPolarHBondContact O-CB 3.49Å; T98-A102 PolarHBondContact O-N 3.09Å
99A98.1Very high96.9Very high59 Ų5944.4 Ų44.449%0.48823%0.227SC..Hα-helixtrans-65.5-52.1-177.900000112.2R95 M96 G101 A102 V103R95-A99 PolarHBondContact O-N 2.93Å; M96-A99 PolarHBondContact O-N 3.38Å; A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 2.77Å; A99-A102 PolarHBondContact O-N 2.95Å; A99-V103 WeakPolarHBondContact O-CG2 3.19Å; A99-V103 PolarHBondContact O-N 3.28Å
100C98.1Very high97Very high21 Ų2146.8 Ų46.814%0.14224%0.239CC..Hα-helixtrans-63.5-38.2179.3-66.30000111.9M96 V103 F104 G132 M136M96-C100 VanDerWaalsContact O-CB 3.29Å; M96-C100 WeakPolarHBondContact O-CB 3.36Å; M96-C100 PolarHBondContact O-N 3.42Å; M96-C100 PolarHBondContact O-SG 3.31Å; M96-C100 VanDerWaalsContact O-SG 3.33Å; C100-V103 PolarHBondContact O-N 3.4Å; C100-F104 WeakPolarHBondContact O-CB 3.35Å; C100-F104 PolarHBondContact O-N 3.2Å; C100-G132 WeakPolarHBondContact CB-O 3.38Å; C100-G132 VanDerWaalsContact O-CA 3.32Å; C100-G132 WeakPolarHBondContact O-CA 3.29Å; C100-M136 HydrophobicContact CB-CG 3.61Å; C100-M136 HydrophobicContact CB-SD 4.04Å
101G98.5Very high97.1Very high0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-65.7-39.1176.400000112.8Y97 A99 F104 L105Y97-G101 WeakPolarHBondContact O-CA 3.39Å; Y97-G101 PolarHBondContact O-N 2.97Å; A99-G101 VanDerWaalsContact C-N 3.32Å; A99-G101 PolarHBondContact O-N 2.77Å; G101-F104 WeakPolarHBondContact O-CB 3.5Å; G101-F104 PolarHBondContact O-N 3.16Å; G101-L105 WeakPolarHBondContact O-CG 3.29Å; G101-L105 PolarHBondContact O-N 3.01Å
102A98.5Very high97.3Very high50 Ų5044.7 Ų44.741%0.41323%0.226SC..Hα-helixtrans-63.5-45.317300000112.1V28 T98 A99 F104 L105 L106V28-A102 HydrophobicContact CG2-CB 4.45Å; T98-A102 WeakPolarHBondContact O-CB 3.49Å; T98-A102 PolarHBondContact O-N 3.09Å; A99-A102 PolarHBondContact O-N 2.95Å; A102-F104 VanDerWaalsContact C-N 3.3Å; A102-F104 PolarHBondContact O-N 2.81Å; A102-L105 PolarHBondContact O-N 2.74Å; A102-L106 PolarHBondContact O-N 2.91Å
103V98.3Very high97.5Very high55 Ų5542.1 Ų42.133%0.33322%0.22SC..Hα-helixtrans-60-42.1174.7173.10000111A99 C100 L106 G107 V128 A131A99-V103 WeakPolarHBondContact O-CG2 3.19Å; A99-V103 PolarHBondContact O-N 3.28Å; C100-V103 PolarHBondContact O-N 3.4Å; V103-L106 PolarHBondContact O-N 2.91Å; V103-G107 PolarHBondContact O-N 2.9Å; V103-V128 HydrophobicContact CG1-CG1 4.15Å; V103-A131 HydrophobicContact CG1-CB 4.2Å
104F98.5Very high97.7Very high20 Ų2039 Ų399%0.08821%0.208CC..Hα-helixtrans-58.9-51.7176.1-178.4-89.8000111.3V78 F82 C100 G101 A102 L106 G107 R108 S129V78-F104 HydrophobicContact CG1-CZ 3.7Å; F82-F104 HydrophobicContact CB-CE1 3.94Å; F82-F104 HydrophobicContact CB-CZ 4.34Å; F82-F104 HydrophobicContact CD1-CD1 4.47Å; F82-F104 HydrophobicContact CD1-CE1 4.4Å; F82-F104 HydrophobicContact CD2-CB 4.4Å; F82-F104 AromaticContact CD2-CD1 3.21Å; F82-F104 HydrophobicContact CD2-CD1 3.21Å; F82-F104 HydrophobicContact CD2-CD2 4.43Å; F82-F104 AromaticContact CD2-CE1 3.44Å; F82-F104 HydrophobicContact CD2-CE1 3.44Å; F82-F104 VanDerWaalsContact CD2-CE1 3.44Å; F82-F104 AromaticContact CD2-CG 3.77Å; F82-F104 HydrophobicContact CD2-CG 3.77Å; F82-F104 HydrophobicContact CD2-CZ 4.17Å; F82-F104 HydrophobicContact CE2-CB 3.91Å; F82-F104 AromaticContact CE2-CD1 3.32Å; F82-F104 HydrophobicContact CE2-CD1 3.32Å; F82-F104 HydrophobicContact CE2-CE1 4.03Å; F82-F104 AromaticContact CE2-CG 3.76Å; F82-F104 HydrophobicContact CE2-CG 3.76Å; F82-F104 AromaticContact CG-CD1 3.83Å; F82-F104 HydrophobicContact CG-CD1 3.83Å; F82-F104 AromaticContact CG-CE1 3.65Å; F82-F104 HydrophobicContact CG-CE1 3.65Å; F82-F104 HydrophobicContact CG-CZ 4.44Å; F82-F104 HydrophobicContact CZ-CD1 4.02Å; C100-F104 WeakPolarHBondContact O-CB 3.35Å; C100-F104 PolarHBondContact O-N 3.2Å; G101-F104 WeakPolarHBondContact O-CB 3.5Å; G101-F104 PolarHBondContact O-N 3.16Å; A102-F104 VanDerWaalsContact C-N 3.3Å; A102-F104 PolarHBondContact O-N 2.81Å; F104-L106 VanDerWaalsContact C-N 3.35Å; F104-L106 PolarHBondContact O-N 3.4Å; F104-G107 PolarHBondContact O-N 3.02Å; F104-G107 VanDerWaalsContact O-N 3.14Å; F104-R108 HydrophobicContact CD1-CG 3.92Å; F104-R108 HydrophobicContact CE1-CG 3.52Å; F104-R108 HydrophobicContact CZ-CG 3.95Å; F104-R108 WeakPolarHBondContact O-CG 3.44Å; F104-R108 PolarHBondContact O-N 3.43Å; F104-S129 WeakPolarHBondContact CD2-O 3.4Å
105L98.4Very high97.7Very high15 Ų1539.6 Ų39.68%0.07921%0.208CC..Hα-helixtrans-62-39.4179.4-69.5-177.6000112.7V28 A32 L35 Y75 F82 G101 A102 G107 R108 L109V28-L105 HydrophobicContact CG1-CD1 3.84Å; V28-L105 HydrophobicContact CG1-CG 4.49Å; V28-L105 WeakPolarHBondContact O-CD1 3.46Å; A32-L105 HydrophobicContact CB-CD1 4.08Å; A32-L105 HydrophobicContact CB-CD2 3.82Å; L35-L105 HydrophobicContact CD2-CB 4.47Å; L35-L105 HydrophobicContact CD2-CD2 4.09Å; Y75-L105 HydrophobicContact CE2-CD2 4.39Å; F82-L105 HydrophobicContact CD1-CD2 4.47Å; F82-L105 HydrophobicContact CE1-CD2 3.79Å; F82-L105 HydrophobicContact CE1-CG 4.21Å; F82-L105 HydrophobicContact CZ-CD1 4.44Å; F82-L105 HydrophobicContact CZ-CD2 3.97Å; F82-L105 HydrophobicContact CZ-CG 3.94Å; G101-L105 WeakPolarHBondContact O-CG 3.29Å; G101-L105 PolarHBondContact O-N 3.01Å; A102-L105 PolarHBondContact O-N 2.74Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.4Å; L105-R108 PolarHBondContact O-N 2.99Å; L105-R108 VanDerWaalsContact O-N 3.15Å; L105-L109 PolarHBondContact O-N 2.89Å
106L98.3Very high97.6Very high91 Ų9133 Ų3348%0.47619%0.188SC..Hα-helixtrans-59.4-45.5173.317961.3000111.1A102 V103 F104 R108 L109 L110A102-L106 PolarHBondContact O-N 2.91Å; V103-L106 PolarHBondContact O-N 2.91Å; F104-L106 VanDerWaalsContact C-N 3.35Å; F104-L106 PolarHBondContact O-N 3.4Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.14Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 3.01Å; L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 WeakPolarHBondContact O-CG 3.5Å; L106-L110 PolarHBondContact O-N 3.46Å
107G98Very high97.6Very high0 Ų032.9 Ų32.90%019%0.191CC..Hα-helixtrans-61.4-36.8174.500000113.2V103 F104 L105 L110 Y111 G126V103-G107 PolarHBondContact O-N 2.9Å; F104-G107 PolarHBondContact O-N 3.02Å; F104-G107 VanDerWaalsContact O-N 3.14Å; L105-G107 VanDerWaalsContact C-N 3.33Å; L105-G107 PolarHBondContact O-N 3.4Å; G107-L110 PolarHBondContact O-N 3.37Å; G107-Y111 WeakPolarHBondContact O-CB 3.36Å; G107-Y111 PolarHBondContact O-N 3.47Å; G107-G126 WeakPolarHBondContact O-CA 3.32Å
108R98Very high97.5Very high13 Ų1333.5 Ų33.55%0.04920%0.198CC..Hα-helixtrans-67.7-37.5174.4-60.5-56.9-82.2157.6-12.4112.6L35 N74 Y75 F104 L105 L106 Y111 F112L35-R108 HydrophobicContact CD2-CB 4.07Å; N74-R108 PolarHBondContact O-NH2 2.93Å; N74-R108 VanDerWaalsContact OD1-CZ 3.31Å; N74-R108 PolarHBondContact OD1-NH1 3.02Å; N74-R108 PolarHBondContact OD1-NH2 3.09Å; Y75-R108 HydrophobicContact CD2-CB 3.89Å; Y75-R108 HydrophobicContact CD2-CG 4.05Å; Y75-R108 HydrophobicContact CE2-CB 3.92Å; Y75-R108 HydrophobicContact CE2-CG 4.02Å; F104-R108 HydrophobicContact CD1-CG 3.92Å; F104-R108 HydrophobicContact CE1-CG 3.52Å; F104-R108 HydrophobicContact CZ-CG 3.95Å; F104-R108 WeakPolarHBondContact O-CG 3.44Å; F104-R108 PolarHBondContact O-N 3.43Å; L105-R108 PolarHBondContact O-N 2.99Å; L105-R108 VanDerWaalsContact O-N 3.15Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3.14Å; R108-Y111 WeakPolarHBondContact O-CB 3.47Å; R108-Y111 PolarHBondContact O-N 2.83Å; R108-F112 PolarHBondContact O-N 2.92Å
109L98.2Very high97.3Very high48 Ų4834.5 Ų34.525%0.25120%0.202SC..Hα-helixtrans-61.1-48.7172.417861000111L35 Y38 F39 L105 L106 Y111 F112 Q113L35-L109 HydrophobicContact CD1-CB 4.1Å; L35-L109 HydrophobicContact CD1-CD1 3.88Å; Y38-L109 HydrophobicContact CD1-CD1 4.26Å; Y38-L109 HydrophobicContact CE1-CD1 3.86Å; F39-L109 HydrophobicContact CE1-CD1 4.23Å; L105-L109 PolarHBondContact O-N 2.89Å; L106-L109 WeakPolarHBondContact O-CB 3.47Å; L106-L109 PolarHBondContact O-N 3.01Å; L109-Y111 VanDerWaalsContact C-N 3.34Å; L109-Y111 PolarHBondContact O-N 2.96Å; L109-F112 PolarHBondContact O-N 3.46Å; L109-Q113 HydrophobicContact CD1-CG 4.24Å; L109-Q113 WeakPolarHBondContact O-CB 3.18Å; L109-Q113 WeakPolarHBondContact O-CG 3.44Å; L109-Q113 PolarHBondContact O-N 2.92Å
110L98Very high97.1Very high50 Ų5033.7 Ų33.726%0.26219%0.192SC..Hα-helixtrans-63.7-38177.6-67.2175.1000112.5L106 G107 G114 K125 V128L106-L110 HydrophobicContact CG-CD1 4.4Å; L106-L110 WeakPolarHBondContact O-CG 3.5Å; L106-L110 PolarHBondContact O-N 3.46Å; G107-L110 PolarHBondContact O-N 3.37Å; L110-G114 PolarHBondContact O-N 3.42Å; L110-K125 HydrophobicContact CB-CB 4.43Å; L110-V128 HydrophobicContact CD1-CB 4.5Å; L110-V128 HydrophobicContact CD1-CG2 4.21Å
111Y97.8Very high97Very high29 Ų2935.2 Ų35.211%0.11421%0.205CC..Hα-helixtrans-57.4-52.8173.3-175.2-84.6000110.5N74 G107 R108 L109 G114 Y115 R123N74-Y111 HydrophobicContact CB-CE1 4.27Å; G107-Y111 WeakPolarHBondContact O-CB 3.36Å; G107-Y111 PolarHBondContact O-N 3.47Å; R108-Y111 WeakPolarHBondContact O-CB 3.47Å; R108-Y111 PolarHBondContact O-N 2.83Å; L109-Y111 VanDerWaalsContact C-N 3.34Å; L109-Y111 PolarHBondContact O-N 2.96Å; Y111-G114 PolarHBondContact O-N 3.26Å; Y111-Y115 AromaticContact CE1-CD2 3.72Å; Y111-Y115 HydrophobicContact CE1-CD2 3.72Å; Y111-Y115 HydrophobicContact CE1-CE2 4.36Å; Y111-Y115 AromaticContact CZ-CD2 4Å; Y111-Y115 PolarHBondContact O-N 3.41Å; Y111-R123 HydrophobicContact CD2-CB 4.01Å; Y111-R123 HydrophobicContact CD2-CG 4.46Å; Y111-R123 WeakPolarHBondContact CD2-O 3.35Å; Y111-R123 HydrophobicContact CE1-CB 4.41Å; Y111-R123 HydrophobicContact CE2-CB 3.76Å; Y111-R123 HydrophobicContact CE2-CG 3.88Å; Y111-R123 HydrophobicContact CG-CB 4.47Å
112F97.9Very high96.9Very high2 Ų239.5 Ų39.51%0.00922%0.224CC..Hα-helixtrans-64.3-45.6-178.3-179.2-93000111.7Y38 F39 R42 I68 H72 R108 L109 G114 Y115 A116Y38-F112 HydrophobicContact CE1-CD1 4.28Å; Y38-F112 HydrophobicContact CE1-CE1 4.33Å; F39-F112 HydrophobicContact CB-CD2 4.4Å; F39-F112 HydrophobicContact CB-CE2 4.1Å; F39-F112 HydrophobicContact CB-CZ 4.32Å; F39-F112 HydrophobicContact CD1-CB 4.08Å; F39-F112 AromaticContact CD1-CD1 3.49Å; F39-F112 HydrophobicContact CD1-CD1 3.49Å; F39-F112 VanDerWaalsContact CD1-CD1 3.49Å; F39-F112 AromaticContact CD1-CD2 3.8Å; F39-F112 HydrophobicContact CD1-CD2 3.8Å; F39-F112 AromaticContact CD1-CE1 3.79Å; F39-F112 HydrophobicContact CD1-CE1 3.79Å; F39-F112 HydrophobicContact CD1-CE2 4.08Å; F39-F112 AromaticContact CD1-CG 3.49Å; F39-F112 HydrophobicContact CD1-CG 3.49Å; F39-F112 VanDerWaalsContact CD1-CG 3.49Å; F39-F112 HydrophobicContact CD1-CZ 4.06Å; F39-F112 HydrophobicContact CD2-CD2 4.07Å; F39-F112 HydrophobicContact CD2-CG 4.32Å; F39-F112 HydrophobicContact CE1-CB 3.42Å; F39-F112 VanDerWaalsContact CE1-CB 3.42Å; F39-F112 AromaticContact CE1-CD1 3.48Å; F39-F112 HydrophobicContact CE1-CD1 3.48Å; F39-F112 VanDerWaalsContact CE1-CD1 3.48Å; F39-F112 HydrophobicContact CE1-CD2 4.05Å; F39-F112 HydrophobicContact CE1-CE1 4.24Å; F39-F112 AromaticContact CE1-CG 3.36Å; F39-F112 HydrophobicContact CE1-CG 3.36Å; F39-F112 HydrophobicContact CE2-CB 3.94Å; F39-F112 HydrophobicContact CE2-CD2 4.28Å; F39-F112 HydrophobicContact CE2-CG 4.18Å; F39-F112 HydrophobicContact CG-CD1 4.35Å; F39-F112 AromaticContact CG-CD2 3.84Å; F39-F112 HydrophobicContact CG-CD2 3.84Å; F39-F112 HydrophobicContact CG-CE2 4.02Å; F39-F112 HydrophobicContact CG-CG 4.01Å; F39-F112 HydrophobicContact CG-CZ 4.34Å; F39-F112 HydrophobicContact CZ-CB 3.34Å; F39-F112 HydrophobicContact CZ-CD1 4.3Å; F39-F112 HydrophobicContact CZ-CD2 4.28Å; F39-F112 AromaticContact CZ-CG 3.73Å; F39-F112 HydrophobicContact CZ-CG 3.73Å; R42-F112 HydrophobicContact CB-CE1 3.95Å; R42-F112 HydrophobicContact CB-CZ 3.76Å; R42-F112 HydrophobicContact CG-CE1 4.05Å; R42-F112 HydrophobicContact CG-CZ 4.36Å; I68-F112 HydrophobicContact CG2-CE2 4.48Å; I68-F112 HydrophobicContact CG2-CZ 4.03Å; I68-F112 WeakPolarHBondContact O-CE2 3.48Å; H72-F112 HydrophobicContact CB-CE2 4.11Å; R108-F112 PolarHBondContact O-N 2.92Å; L109-F112 PolarHBondContact O-N 3.46Å; F112-G114 VanDerWaalsContact C-N 3.29Å; F112-G114 PolarHBondContact O-N 3.41Å; F112-Y115 PolarHBondContact O-N 3.29Å; F112-A116 HydrophobicContact CE1-CB 4.32Å; F112-A116 WeakPolarHBondContact O-CB 3.39Å; F112-A116 PolarHBondContact O-N 3.02Å
113Q97.1Very high96.7Very high88 Ų8841.2 Ų41.241%0.41122%0.22SC..Hα-helixtrans-60.6-39176.4-73.7176.9-28.200112.1L109 T117L109-Q113 HydrophobicContact CD1-CG 4.24Å; L109-Q113 WeakPolarHBondContact O-CB 3.18Å; L109-Q113 WeakPolarHBondContact O-CG 3.44Å; L109-Q113 PolarHBondContact O-N 2.92Å; Q113-T117 WeakPolarHBondContact O-CG2 3.47Å
114G96.8Very high96.5Very high0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-63.9-46.6173.700000112.4L110 Y111 F112 A116 T117 K122L110-G114 PolarHBondContact O-N 3.42Å; Y111-G114 PolarHBondContact O-N 3.26Å; F112-G114 VanDerWaalsContact C-N 3.29Å; F112-G114 PolarHBondContact O-N 3.41Å; G114-A116 VanDerWaalsContact C-N 3.34Å; G114-A116 PolarHBondContact O-N 2.95Å; G114-T117 PolarHBondContact O-N 3.04Å; G114-T117 PolarHBondContact O-OG1 2.95Å; G114-K122 WeakPolarHBondContact CA-O 3.19Å; G114-K122 VanDerWaalsContact O-CB 3.32Å; G114-K122 WeakPolarHBondContact O-CB 3.22Å
115Y94.4Very high96.3Very high28 Ų2851.2 Ų51.211%0.1126%0.256CS..Hα-helixtrans-63.5-41.8177.4-139.1-65.8000111.2C67 R70 Y111 F112 T117 G118 P120 R123C67-Y115 VanDerWaalsContact C-CD1 3.44Å; C67-Y115 HydrophobicContact CB-CD1 3.45Å; C67-Y115 VanDerWaalsContact CB-CD1 3.45Å; C67-Y115 HydrophobicContact CB-CE1 3.75Å; C67-Y115 VanDerWaalsContact CB-O 3.22Å; C67-Y115 WeakPolarHBondContact CB-O 3.38Å; C67-Y115 WeakPolarHBondContact O-CD1 3.21Å; C67-Y115 WeakPolarHBondContact O-CE1 3.44Å; C67-Y115 WeakPolarHBondContact SG-CD1 3.47Å; C67-Y115 WeakPolarHBondContact SG-CE1 3.45Å; R70-Y115 HydrophobicContact CB-CE1 4.05Å; R70-Y115 HydrophobicContact CG-CE1 4.3Å; R70-Y115 HydrophobicContact CG-CE2 4.31Å; R70-Y115 WeakPolarHBondContact CG-OH 3.3Å; Y111-Y115 AromaticContact CE1-CD2 3.72Å; Y111-Y115 HydrophobicContact CE1-CD2 3.72Å; Y111-Y115 HydrophobicContact CE1-CE2 4.36Å; Y111-Y115 AromaticContact CZ-CD2 4Å; Y111-Y115 PolarHBondContact O-N 3.41Å; F112-Y115 PolarHBondContact O-N 3.29Å; Y115-T117 PolarHBondContact O-N 3.43Å; Y115-G118 PolarHBondContact O-N 3.32Å; Y115-G118 VanDerWaalsContact O-N 3.12Å; Y115-P120 HydrophobicContact CE1-CB 4.38Å; Y115-R123 HydrophobicContact CD2-CB 3.69Å; Y115-R123 HydrophobicContact CD2-CG 4.48Å; Y115-R123 HydrophobicContact CE2-CB 4.37Å; Y115-R123 HydrophobicContact CG-CB 4.47Å
116A95.6Very high96.1Very high21 Ų2150.6 Ų50.617%0.17425%0.253CS..THydrogen-bonded Turntrans-67.63.4-177.300000114.9L64 I68 F112 G114 G118L64-A116 VanDerWaalsContact CD1-O 3.28Å; L64-A116 WeakPolarHBondContact CD1-O 3.18Å; I68-A116 HydrophobicContact CG1-CB 3.88Å; F112-A116 HydrophobicContact CE1-CB 4.32Å; F112-A116 WeakPolarHBondContact O-CB 3.39Å; F112-A116 PolarHBondContact O-N 3.02Å; G114-A116 VanDerWaalsContact C-N 3.34Å; G114-A116 PolarHBondContact O-N 2.95Å; A116-G118 VanDerWaalsContact C-N 3.32Å
117T95.8Very high95.9Very high65 Ų6548.8 Ų48.840%0.39925%0.251SS..THydrogen-bonded Turntrans-88.51.8169.177.10000113.2Q113 G114 Y115 D119 K122Q113-T117 WeakPolarHBondContact O-CG2 3.47Å; G114-T117 PolarHBondContact O-N 3.04Å; G114-T117 PolarHBondContact O-OG1 2.95Å; Y115-T117 PolarHBondContact O-N 3.43Å; T117-D119 PolarHBondContact O-N 3.39Å; T117-K122 HydrophobicContact CG2-CD 4.23Å; T117-K122 VanDerWaalsContact OG1-CD 3.22Å; T117-K122 WeakPolarHBondContact OG1-CD 3.38Å
118G94.7Very high95.8Very high14 Ų1451.8 Ų51.814%0.14427%0.269CS..THydrogen-bonded Turntrans78.31.7-175.900000114.7K63 Y115 A116K63-G118 WeakPolarHBondContact CD-O 3.48Å; K63-G118 WeakPolarHBondContact CE-O 3.43Å; Y115-G118 PolarHBondContact O-N 3.32Å; Y115-G118 VanDerWaalsContact O-N 3.12Å; A116-G118 VanDerWaalsContact C-N 3.32Å
119D95.5Very high95.7Very high56 Ų5652 Ų5230%0.29927%0.272SS..  trans-113.3106.6175.4176.29.6000109.4T117 A121 K122T117-D119 PolarHBondContact O-N 3.39Å; D119-A121 PolarHBondContact O-N 3.04Å; D119-A121 VanDerWaalsContact O-N 3.12Å; D119-A121 WeakPolarHBondContact OD1-CB 3.28Å; D119-A121 PolarHBondContact OD1-N 3.36Å; D119-K122 HydrophobicContact CB-CD 4.09Å; D119-K122 HydrophobicContact CB-CG 4.35Å; D119-K122 PolarHBondContact O-N 3.27Å; D119-K122 VanDerWaalsContact O-N 3.1Å
120P93.2Very high95.5Very high42 Ų4254.5 Ų54.527%0.27328%0.284SS..G310 helixtrans-62.7-20.9-177.226.4-35000112.9K63 Y115 K122 R123K63-P120 VanDerWaalsContact CE-CD 3.47Å; Y115-P120 HydrophobicContact CE1-CB 4.38Å; P120-K122 VanDerWaalsContact C-N 3.3Å; P120-K122 PolarHBondContact O-N 3.18Å; P120-R123 WeakPolarHBondContact O-CB 3.37Å; P120-R123 WeakPolarHBondContact O-CD 3.35Å; P120-R123 WeakPolarHBondContact O-CG 3.38Å; P120-R123 PolarHBondContact O-N 3.41Å
121A96Very high95.4Very high52 Ų5255.3 Ų55.343%0.4330%0.298SS..G310 helixtrans-67.6-31.1176.900000112D119 R123 Y124D119-A121 PolarHBondContact O-N 3.04Å; D119-A121 VanDerWaalsContact O-N 3.12Å; D119-A121 WeakPolarHBondContact OD1-CB 3.28Å; D119-A121 PolarHBondContact OD1-N 3.36Å; A121-R123 PolarHBondContact O-N 2.95Å; A121-Y124 WeakPolarHBondContact O-CD2 3.48Å; A121-Y124 PolarHBondContact O-N 2.9Å
122K95.6Very high95.3Very high91 Ų9153.9 Ų53.940%0.39629%0.292SS..G310 helixtrans-68.2-9.7179.8-72.9173.4-172.3171.60113.6G114 T117 D119 P120 Y124 K125G114-K122 WeakPolarHBondContact CA-O 3.19Å; G114-K122 VanDerWaalsContact O-CB 3.32Å; G114-K122 WeakPolarHBondContact O-CB 3.22Å; T117-K122 HydrophobicContact CG2-CD 4.23Å; T117-K122 VanDerWaalsContact OG1-CD 3.22Å; T117-K122 WeakPolarHBondContact OG1-CD 3.38Å; D119-K122 HydrophobicContact CB-CD 4.09Å; D119-K122 HydrophobicContact CB-CG 4.35Å; D119-K122 PolarHBondContact O-N 3.27Å; D119-K122 VanDerWaalsContact O-N 3.1Å; P120-K122 VanDerWaalsContact C-N 3.3Å; P120-K122 PolarHBondContact O-N 3.18Å; K122-Y124 PolarHBondContact O-N 3.31Å; K122-K125 WeakPolarHBondContact O-CB 3.46Å; K122-K125 WeakPolarHBondContact O-CG 3.39Å; K122-K125 PolarHBondContact O-N 3.37Å
123R94.6Very high95.2Very high85 Ų8554.3 Ų54.332%0.32130%0.297SS..G310 helixtrans-58.3-24.6170.981.9-169.8174.4161.4-2113.3Y111 Y115 P120 A121 K125 G126Y111-R123 HydrophobicContact CD2-CB 4.01Å; Y111-R123 HydrophobicContact CD2-CG 4.46Å; Y111-R123 WeakPolarHBondContact CD2-O 3.35Å; Y111-R123 HydrophobicContact CE1-CB 4.41Å; Y111-R123 HydrophobicContact CE2-CB 3.76Å; Y111-R123 HydrophobicContact CE2-CG 3.88Å; Y111-R123 HydrophobicContact CG-CB 4.47Å; Y115-R123 HydrophobicContact CD2-CB 3.69Å; Y115-R123 HydrophobicContact CD2-CG 4.48Å; Y115-R123 HydrophobicContact CE2-CB 4.37Å; Y115-R123 HydrophobicContact CG-CB 4.47Å; P120-R123 WeakPolarHBondContact O-CB 3.37Å; P120-R123 WeakPolarHBondContact O-CD 3.35Å; P120-R123 WeakPolarHBondContact O-CG 3.38Å; P120-R123 PolarHBondContact O-N 3.41Å; A121-R123 PolarHBondContact O-N 2.95Å; R123-K125 PolarHBondContact O-N 2.86Å; R123-K125 VanDerWaalsContact O-N 3.13Å; R123-G126 PolarHBondContact O-N 3.22Å
124Y95Very high95.2Very high156 Ų15655.9 Ų55.961%0.61230%0.303SS*.G310 helixtrans-63.2-16.8179.5-68.9-59.4000113.4A121 K122 G126 A127A121-Y124 WeakPolarHBondContact O-CD2 3.48Å; A121-Y124 PolarHBondContact O-N 2.9Å; K122-Y124 PolarHBondContact O-N 3.31Å; Y124-G126 PolarHBondContact O-N 3Å; Y124-G126 VanDerWaalsContact O-N 3.14Å; Y124-A127 WeakPolarHBondContact O-CB 3.34Å; Y124-A127 PolarHBondContact O-N 3.26Å
125K93.1Very high95.1Very high130 Ų13058.1 Ų58.157%0.56532%0.317SS*.G310 helixtrans-54.7-28.9166.5-67.2-179.5178.1-173.10112.5L110 K122 R123 A127L110-K125 HydrophobicContact CB-CB 4.43Å; K122-K125 WeakPolarHBondContact O-CB 3.46Å; K122-K125 WeakPolarHBondContact O-CG 3.39Å; K122-K125 PolarHBondContact O-N 3.37Å; R123-K125 PolarHBondContact O-N 2.86Å; R123-K125 VanDerWaalsContact O-N 3.13Å; K125-A127 PolarHBondContact O-N 3.49Å
126G95Very high95.2Very high2 Ų257 Ų572%0.02131%0.313CS..G310 helixtrans-75.5-2176.300000115.5G107 R123 Y124 V128 S129G107-G126 WeakPolarHBondContact O-CA 3.32Å; R123-G126 PolarHBondContact O-N 3.22Å; Y124-G126 PolarHBondContact O-N 3Å; Y124-G126 VanDerWaalsContact O-N 3.14Å; G126-V128 PolarHBondContact O-N 2.8Å; G126-S129 WeakPolarHBondContact O-CB 3.45Å; G126-S129 PolarHBondContact O-N 3.45Å; G126-S129 PolarHBondContact O-OG 3.16Å
127A94.7Very high95.3Very high53 Ų5361 Ų6144%0.43833%0.331SS..G310 helixtrans-56.1-22.8178.200000112.9Y124 K125 S129 M130Y124-A127 WeakPolarHBondContact O-CB 3.34Å; Y124-A127 PolarHBondContact O-N 3.26Å; K125-A127 PolarHBondContact O-N 3.49Å; A127-S129 PolarHBondContact O-N 3.24Å; A127-S129 VanDerWaalsContact O-N 3.09Å; A127-M130 HydrophobicContact CB-SD 4.49Å; A127-M130 WeakPolarHBondContact O-CB 3.31Å; A127-M130 WeakPolarHBondContact O-CG 3.43Å; A127-M130 PolarHBondContact O-N 3.31Å
128V94.7Very high95.2Very high63 Ų6363.3 Ų63.338%0.38234%0.338SS..Hα-helixtrans-51.3-30.2170-178.40000112.4V103 L110 G126 M130 A131V103-V128 HydrophobicContact CG1-CG1 4.15Å; L110-V128 HydrophobicContact CD1-CB 4.5Å; L110-V128 HydrophobicContact CD1-CG2 4.21Å; G126-V128 PolarHBondContact O-N 2.8Å; V128-M130 PolarHBondContact O-N 3.21Å; V128-M130 VanDerWaalsContact O-N 3.15Å; V128-A131 WeakPolarHBondContact O-CB 3.33Å; V128-A131 PolarHBondContact O-N 3.39Å; V128-A131 VanDerWaalsContact O-N 3.08Å
129S95.6Very high95.1Very high16 Ų1663 Ų6311%0.11234%0.336CS..Hα-helixtrans-61.5-26.1177.564.80000112.5F104 G126 A127 A131 G132 G133F104-S129 WeakPolarHBondContact CD2-O 3.4Å; G126-S129 WeakPolarHBondContact O-CB 3.45Å; G126-S129 PolarHBondContact O-N 3.45Å; G126-S129 PolarHBondContact O-OG 3.16Å; A127-S129 PolarHBondContact O-N 3.24Å; A127-S129 VanDerWaalsContact O-N 3.09Å; S129-A131 VanDerWaalsContact C-N 3.32Å; S129-A131 PolarHBondContact O-N 3.19Å; S129-G132 PolarHBondContact O-N 2.91Å; S129-G133 PolarHBondContact O-N 3.13Å
130M94.7Very high95.1Very high102 Ų10262.2 Ų62.250%0.50233%0.331SS..Hα-helixtrans-65.9-35.6177.7-63.4171.370.300111.4A127 V128 G132 G133 F134A127-M130 HydrophobicContact CB-SD 4.49Å; A127-M130 WeakPolarHBondContact O-CB 3.31Å; A127-M130 WeakPolarHBondContact O-CG 3.43Å; A127-M130 PolarHBondContact O-N 3.31Å; V128-M130 PolarHBondContact O-N 3.21Å; V128-M130 VanDerWaalsContact O-N 3.15Å; M130-G132 PolarHBondContact O-N 3.2Å; M130-G133 PolarHBondContact O-N 3.37Å; M130-F134 HydrophobicContact CB-CD2 3.85Å; M130-F134 HydrophobicContact CB-CE2 3.76Å; M130-F134 HydrophobicContact CE-CE2 3.41Å; M130-F134 VanDerWaalsContact CE-CE2 3.41Å; M130-F134 HydrophobicContact CE-CZ 3.81Å; M130-F134 HydrophobicContact CG-CE2 4.19Å; M130-F134 WeakPolarHBondContact O-CB 3.31Å; M130-F134 VanDerWaalsContact O-CD2 3.25Å; M130-F134 WeakPolarHBondContact O-CD2 3.41Å; M130-F134 PolarHBondContact O-N 3.12Å
131A95.3Very high95.2Very high66 Ų6665.1 Ų65.155%0.54534%0.343SS..Hα-helixtrans-64-28.717700000112.7V103 V128 S129 P135V103-A131 HydrophobicContact CG1-CB 4.2Å; V128-A131 WeakPolarHBondContact O-CB 3.33Å; V128-A131 PolarHBondContact O-N 3.39Å; V128-A131 VanDerWaalsContact O-N 3.08Å; S129-A131 VanDerWaalsContact C-N 3.32Å; S129-A131 PolarHBondContact O-N 3.19Å; A131-P135 WeakPolarHBondContact O-CD 3.4Å; A131-P135 VanDerWaalsContact O-CG 3.29Å; A131-P135 WeakPolarHBondContact O-CG 3.48Å
132G95.6Very high95Very high0 Ų065.5 Ų65.50%034%0.341CS..Hα-helixtrans-87.7-43.2171.900000113.2C100 S129 M130 P135 M136C100-G132 WeakPolarHBondContact CB-O 3.38Å; C100-G132 VanDerWaalsContact O-CA 3.32Å; C100-G132 WeakPolarHBondContact O-CA 3.29Å; S129-G132 PolarHBondContact O-N 2.91Å; M130-G132 PolarHBondContact O-N 3.2Å; G132-P135 WeakPolarHBondContact O-CD 3.29Å; G132-M136 VanDerWaalsContact O-CG 3.3Å; G132-M136 WeakPolarHBondContact O-CG 3.37Å; G132-M136 PolarHBondContact O-N 3.08Å
133G96.5Very high94.8Very high10 Ų1063.1 Ų63.110%0.10333%0.33CS..Hα-helixtrans-69.2-43.6-173.200000114S129 M130 M136 I137S129-G133 PolarHBondContact O-N 3.13Å; M130-G133 PolarHBondContact O-N 3.37Å; G133-M136 PolarHBondContact O-N 3.32Å; G133-I137 WeakPolarHBondContact O-CG1 3.49Å; G133-I137 PolarHBondContact O-N 3.06Å
134F96Very high94.6Very high122 Ų12261 Ų6154%0.53534%0.335SS..Hα-helixtrans-62.5-49.3-178.4-77.1-59.1000112.9M130 M136 I137 M138M130-F134 HydrophobicContact CB-CD2 3.85Å; M130-F134 HydrophobicContact CB-CE2 3.76Å; M130-F134 HydrophobicContact CE-CE2 3.41Å; M130-F134 VanDerWaalsContact CE-CE2 3.41Å; M130-F134 HydrophobicContact CE-CZ 3.81Å; M130-F134 HydrophobicContact CG-CE2 4.19Å; M130-F134 WeakPolarHBondContact O-CB 3.31Å; M130-F134 VanDerWaalsContact O-CD2 3.25Å; M130-F134 WeakPolarHBondContact O-CD2 3.41Å; M130-F134 PolarHBondContact O-N 3.12Å; F134-M136 VanDerWaalsContact C-N 3.27Å; F134-M136 PolarHBondContact O-N 2.96Å; F134-I137 PolarHBondContact O-N 3.49Å; F134-M138 WeakPolarHBondContact O-CG 3.15Å; F134-M138 PolarHBondContact O-N 3.11Å
135P95.6Very high94.5Very high47 Ų4757.1 Ų57.131%0.30533%0.328SS..Hα-helixtrans-59-36.9175.8-26.235.6000113.1M96 A131 G132 M138 G139M96-P135 VanDerWaalsContact CE-C 3.48Å; M96-P135 HydrophobicContact CE-CB 3.68Å; M96-P135 WeakPolarHBondContact CE-O 3.22Å; A131-P135 WeakPolarHBondContact O-CD 3.4Å; A131-P135 VanDerWaalsContact O-CG 3.29Å; A131-P135 WeakPolarHBondContact O-CG 3.48Å; G132-P135 WeakPolarHBondContact O-CD 3.29Å; P135-M138 PolarHBondContact O-N 3.45Å; P135-G139 PolarHBondContact O-N 3.33Å
136M97.4Very high94.2Very high4 Ų455 Ų552%0.0232%0.32CS..Hα-helixtrans-63.1-47176.2-69.7172.373.500111.6F82 A85 L86 Y97 C100 G132 G133 F134 M138 G139 L140F82-M136 HydrophobicContact CD2-CE 4.03Å; F82-M136 HydrophobicContact CD2-SD 4.46Å; F82-M136 HydrophobicContact CE2-CE 3.77Å; F82-M136 HydrophobicContact CE2-SD 4.08Å; A85-M136 HydrophobicContact CB-CE 4.29Å; L86-M136 HydrophobicContact CB-CE 3.91Å; L86-M136 HydrophobicContact CD1-CE 4.11Å; Y97-M136 HydrophobicContact CD1-CB 4.33Å; Y97-M136 HydrophobicContact CD1-CE 3.72Å; Y97-M136 HydrophobicContact CD1-CG 3.94Å; Y97-M136 HydrophobicContact CE1-CB 3.84Å; Y97-M136 HydrophobicContact CE1-CE 4.12Å; Y97-M136 HydrophobicContact CE1-CG 3.96Å; Y97-M136 PolarHBondContact OH-O 3.48Å; C100-M136 HydrophobicContact CB-CG 3.61Å; C100-M136 HydrophobicContact CB-SD 4.04Å; G132-M136 VanDerWaalsContact O-CG 3.3Å; G132-M136 WeakPolarHBondContact O-CG 3.37Å; G132-M136 PolarHBondContact O-N 3.08Å; G133-M136 PolarHBondContact O-N 3.32Å; F134-M136 VanDerWaalsContact C-N 3.27Å; F134-M136 PolarHBondContact O-N 2.96Å; M136-M138 PolarHBondContact O-N 3.34Å; M136-G139 PolarHBondContact O-N 2.74Å; M136-L140 WeakPolarHBondContact O-CB 3.22Å; M136-L140 PolarHBondContact O-N 3.27Å
137I96.1Very high93.7Very high106 Ų10660.3 Ų60.354%0.54434%0.344SS..Hα-helixtrans-62.7-45.9178.6-67169000110.6G133 F134 G139 L140 L141G133-I137 WeakPolarHBondContact O-CG1 3.49Å; G133-I137 PolarHBondContact O-N 3.06Å; F134-I137 PolarHBondContact O-N 3.49Å; I137-G139 PolarHBondContact O-N 2.64Å; I137-L140 PolarHBondContact O-N 2.62Å; I137-L141 PolarHBondContact O-N 2.93Å
138M94.5Very high93.3Very high112 Ų11263 Ų6355%0.55235%0.35SS*.Hα-helixtrans-63-42.2177.7-66.8-54.3-6400111.9F134 P135 M136 L140 L141 V142F134-M138 WeakPolarHBondContact O-CG 3.15Å; F134-M138 PolarHBondContact O-N 3.11Å; P135-M138 PolarHBondContact O-N 3.45Å; M136-M138 PolarHBondContact O-N 3.34Å; M138-L140 VanDerWaalsContact C-N 3.3Å; M138-L140 PolarHBondContact O-N 3.14Å; M138-L141 PolarHBondContact O-N 3.46Å; M138-V142 WeakPolarHBondContact O-CG2 3.11Å; M138-V142 PolarHBondContact O-N 3.09Å
139G93.2Very high92.8Very high9 Ų964.2 Ų64.29%0.09335%0.353CS..Hα-helixtrans-63.2-36.517600000112.5Y97 P135 M136 I137 F143Y97-G139 VanDerWaalsContact OH-C 3.27Å; P135-G139 PolarHBondContact O-N 3.33Å; M136-G139 PolarHBondContact O-N 2.74Å; I137-G139 PolarHBondContact O-N 2.64Å; G139-F143 WeakPolarHBondContact O-CB 3.03Å; G139-F143 PolarHBondContact O-N 3.5Å
140L94.5Very high92.1Very high38 Ų3865.9 Ų65.920%0.19937%0.368CS..Hα-helixtrans-71.4-40.7178.6-172.864.8000110.9M84 A85 V88 Y97 M136 I137 M138 F143 G144M84-L140 HydrophobicContact CE-CD2 4.02Å; A85-L140 HydrophobicContact CB-CD2 4.18Å; V88-L140 HydrophobicContact CB-CD1 4.07Å; V88-L140 HydrophobicContact CG1-CD1 3.69Å; Y97-L140 WeakPolarHBondContact OH-CA 3.48Å; Y97-L140 WeakPolarHBondContact OH-CB 2.95Å; Y97-L140 PolarHBondContact OH-N 2.91Å; M136-L140 WeakPolarHBondContact O-CB 3.22Å; M136-L140 PolarHBondContact O-N 3.27Å; I137-L140 PolarHBondContact O-N 2.62Å; M138-L140 VanDerWaalsContact C-N 3.3Å; M138-L140 PolarHBondContact O-N 3.14Å; L140-F143 PolarHBondContact O-N 3.49Å; L140-G144 PolarHBondContact O-N 2.91Å
141L94.9Very high91.6Very high103 Ų10364.3 Ų64.354%0.53937%0.367SS..Hα-helixtrans-59-49.9173.3178.564000111I137 M138 F143 G144 V145I137-L141 PolarHBondContact O-N 2.93Å; M138-L141 PolarHBondContact O-N 3.46Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 3.13Å; L141-G144 PolarHBondContact O-N 3.46Å; L141-V145 HydrophobicContact CD1-CG2 4.34Å; L141-V145 WeakPolarHBondContact O-CG2 3.26Å; L141-V145 PolarHBondContact O-N 3.19Å
142V92.5Very high91Very high61 Ų6166.6 Ų66.637%0.3737%0.368SS..Hα-helixtrans-60.3-44.1177.3171.40000110.9M138 G144 V145 Q146M138-V142 WeakPolarHBondContact O-CG2 3.11Å; M138-V142 PolarHBondContact O-N 3.09Å; V142-G144 PolarHBondContact O-N 3.03Å; V142-V145 PolarHBondContact O-N 2.9Å; V142-Q146 HydrophobicContact CG1-CG 4.24Å; V142-Q146 WeakPolarHBondContact O-CB 3.03Å; V142-Q146 VanDerWaalsContact O-CG 3.24Å; V142-Q146 WeakPolarHBondContact O-CG 3.47Å; V142-Q146 PolarHBondContact O-N 2.95Å
143F91.1Very high90.4Very high40 Ų4075.8 Ų75.818%0.17540%0.403CS..Hα-helixtrans-61-45.6177.3-180-151.7000111.7V88 R92 Y93 G139 L140 L141 Q146 H147V88-F143 HydrophobicContact CG1-CE1 4.24Å; V88-F143 WeakPolarHBondContact O-CE1 3.36Å; R92-F143 HydrophobicContact CB-CD1 3.9Å; R92-F143 HydrophobicContact CB-CD2 3.88Å; R92-F143 HydrophobicContact CB-CE1 3.99Å; R92-F143 HydrophobicContact CB-CE2 3.98Å; R92-F143 HydrophobicContact CB-CG 3.86Å; R92-F143 HydrophobicContact CB-CZ 4.03Å; R92-F143 HydrophobicContact CG-CD2 3.86Å; R92-F143 HydrophobicContact CG-CE2 4.19Å; R92-F143 HydrophobicContact CG-CG 4.14Å; Y93-F143 HydrophobicContact CE2-CB 4.25Å; G139-F143 WeakPolarHBondContact O-CB 3.03Å; G139-F143 PolarHBondContact O-N 3.5Å; L140-F143 PolarHBondContact O-N 3.49Å; L141-F143 VanDerWaalsContact C-N 3.33Å; L141-F143 PolarHBondContact O-N 3.13Å; F143-Q146 PolarHBondContact O-N 3.19Å; F143-H147 WeakPolarHBondContact O-CB 3.19Å; F143-H147 PolarHBondContact O-N 3.33Å
144G91.2Very high88.8Confident42 Ų4278.9 Ų78.943%0.43342%0.422SS..Hα-helixtrans-61.5-4617700000113.1L140 L141 V142 H147 L148L140-G144 PolarHBondContact O-N 2.91Å; L141-G144 PolarHBondContact O-N 3.46Å; V142-G144 PolarHBondContact O-N 3.03Å; G144-H147 PolarHBondContact O-N 3.1Å; G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 2.99Å
145V91.5Very high87Confident74 Ų7479.5 Ų79.545%0.44844%0.436SS..Hα-helixtrans-62.5-47.3176.8171.80000111L141 V142 H147 L148 M149L141-V145 HydrophobicContact CD1-CG2 4.34Å; L141-V145 WeakPolarHBondContact O-CG2 3.26Å; L141-V145 PolarHBondContact O-N 3.19Å; V142-V145 PolarHBondContact O-N 2.9Å; V145-H147 VanDerWaalsContact C-N 3.32Å; V145-H147 PolarHBondContact O-N 3.45Å; V145-L148 PolarHBondContact O-N 3.39Å; V145-M149 HydrophobicContact CG1-CG 4.28Å; V145-M149 HydrophobicContact CG1-SD 3.98Å; V145-M149 WeakPolarHBondContact O-CB 3.42Å; V145-M149 VanDerWaalsContact O-CG 3.28Å; V145-M149 WeakPolarHBondContact O-CG 3Å; V145-M149 PolarHBondContact O-N 3.19Å
146Q87.9Confident85.2Confident86 Ų8680.3 Ų80.340%0.40245%0.453SS..Hα-helixtrans-60.4-42.7178.3-74.9178.6-5.100111.9Y93 V142 F143 M149 A150Y93-Q146 PolarHBondContact OH-OE1 3.35Å; V142-Q146 HydrophobicContact CG1-CG 4.24Å; V142-Q146 WeakPolarHBondContact O-CB 3.03Å; V142-Q146 VanDerWaalsContact O-CG 3.24Å; V142-Q146 WeakPolarHBondContact O-CG 3.47Å; V142-Q146 PolarHBondContact O-N 2.95Å; F143-Q146 PolarHBondContact O-N 3.19Å; Q146-M149 PolarHBondContact O-N 3.12Å; Q146-A150 WeakPolarHBondContact O-CB 3.36Å; Q146-A150 PolarHBondContact O-N 2.97Å
147H84.4Confident83.3Confident113 Ų11385 Ų8552%0.52349%0.485SS..Hα-helixtrans-64.9-43.8177.6-164.8-49.2000111.4F143 G144 V145 A150 S151F143-H147 WeakPolarHBondContact O-CB 3.19Å; F143-H147 PolarHBondContact O-N 3.33Å; G144-H147 PolarHBondContact O-N 3.1Å; V145-H147 VanDerWaalsContact C-N 3.32Å; V145-H147 PolarHBondContact O-N 3.45Å; H147-A150 PolarHBondContact O-N 3.12Å; H147-S151 PolarHBondContact ND1-OG 3.33Å; H147-S151 PolarHBondContact O-N 3.01Å; H147-S151 PolarHBondContact O-OG 3.29Å; H147-S151 VanDerWaalsContact O-OG 3.04Å
148L86.4Confident81.3Confident108 Ų10884.8 Ų84.857%0.56550%0.499SS*.Hα-helixtrans-62.5-45.9177179.861.4000111.6G144 V145 A150 S151 I152G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 3.39Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.21Å; L148-S151 PolarHBondContact O-N 3.28Å; L148-I152 HydrophobicContact CD1-CD1 3.99Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.9Å; L148-I152 WeakPolarHBondContact O-CG1 3.17Å; L148-I152 PolarHBondContact O-N 2.8Å
149M83.4Confident79.1Confident90 Ų9087.4 Ų87.444%0.44352%0.515SS..Hα-helixtrans-62.2-39.4177.8-70.5-175.482.700112.1V145 Q146 R153V145-M149 HydrophobicContact CG1-CG 4.28Å; V145-M149 HydrophobicContact CG1-SD 3.98Å; V145-M149 WeakPolarHBondContact O-CB 3.42Å; V145-M149 VanDerWaalsContact O-CG 3.28Å; V145-M149 WeakPolarHBondContact O-CG 3Å; V145-M149 PolarHBondContact O-N 3.19Å; Q146-M149 PolarHBondContact O-N 3.12Å; M149-R153 WeakPolarHBondContact O-CG 3.38Å; M149-R153 PolarHBondContact O-N 2.78Å; M149-R153 VanDerWaalsContact O-N 3.16Å
150A81.5Confident76.5Confident51 Ų5198.3 Ų98.342%0.42155%0.553SS.*Hα-helixtrans-64-43.7174.500000111.4Q146 H147 L148 I152 R153 C154Q146-A150 WeakPolarHBondContact O-CB 3.36Å; Q146-A150 PolarHBondContact O-N 2.97Å; H147-A150 PolarHBondContact O-N 3.12Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 3.21Å; A150-I152 PolarHBondContact O-N 3.41Å; A150-R153 PolarHBondContact O-N 2.77Å; A150-C154 WeakPolarHBondContact O-CB 3.39Å; A150-C154 PolarHBondContact O-N 2.93Å; A150-C154 VanDerWaalsContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.18Å
151S83.7Confident73.8Confident69 Ų69105.7 Ų105.748%0.48361%0.608SS.*Hα-helixtrans-62.6-41.1177.9-62.70000112.9H147 L148 C154H147-S151 PolarHBondContact ND1-OG 3.33Å; H147-S151 PolarHBondContact O-N 3.01Å; H147-S151 PolarHBondContact O-OG 3.29Å; H147-S151 VanDerWaalsContact O-OG 3.04Å; L148-S151 PolarHBondContact O-N 3.28Å; S151-C154 PolarHBondContact O-N 3.21Å
152I83.6Confident72.8Confident114 Ų114105.9 Ų105.959%0.58561%0.611SS**Hα-helixtrans-68-37.5178.5-66.7166.7000111.4L148 A150L148-I152 HydrophobicContact CD1-CD1 3.99Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.9Å; L148-I152 WeakPolarHBondContact O-CG1 3.17Å; L148-I152 PolarHBondContact O-N 2.8Å; A150-I152 PolarHBondContact O-N 3.41Å
153R81.9Confident71.7Confident193 Ų193108.2 Ų108.273%0.72862%0.624SS**Hα-helixtrans-75.2-22.8179.1-70.9176.3-178.6-179.70.2113.5M149 A150 T155M149-R153 WeakPolarHBondContact O-CG 3.38Å; M149-R153 PolarHBondContact O-N 2.78Å; M149-R153 VanDerWaalsContact O-N 3.16Å; A150-R153 PolarHBondContact O-N 2.77Å; R153-T155 VanDerWaalsContact C-N 3.26Å; R153-T155 PolarHBondContact O-N 3.32Å
154C62.6Low70.7Confident74 Ų74112 Ų11250%0.565%0.649SS.*THydrogen-bonded Turntrans-85.729.1-176.1-72.70000114.5A150 S151 G156 C157A150-C154 WeakPolarHBondContact O-CB 3.39Å; A150-C154 PolarHBondContact O-N 2.93Å; A150-C154 VanDerWaalsContact O-N 3.07Å; A150-C154 PolarHBondContact O-SG 3.18Å; S151-C154 PolarHBondContact O-N 3.21Å; C154-G156 PolarHBondContact O-N 2.93Å; C154-C157 PolarHBondContact O-N 3.21Å
155T59.9Low69.4Low135 Ų135116.1 Ų116.183%0.82866%0.662SS**THydrogen-bonded Turntrans-62.3-6.9172.840.70000114.1R153R153-T155 VanDerWaalsContact C-N 3.26Å; R153-T155 PolarHBondContact O-N 3.32Å
156G57.7Low68.1Low64 Ų64118.8 Ų118.866%0.6668%0.675SS**THydrogen-bonded Turntrans-109-1.1179.400000117.7C154C154-G156 PolarHBondContact O-N 2.93Å
157C55.8Low66.7Low103 Ų103120.9 Ų120.970%0.69669%0.693SS**SBendtrans-100.3-7.4-175.2-83.40000115.3C154 L159C154-C157 PolarHBondContact O-N 3.21Å; C157-L159 VanDerWaalsContact C-N 3.31Å; C157-L159 PolarHBondContact O-N 3.29Å
158A55Low65.5Low101 Ų101121.5 Ų121.584%0.83571%0.705SS**THydrogen-bonded Turntrans-86.813.4-179.200000114.8
159L48.8Very low63.9Low168 Ų168122.5 Ų122.588%0.8872%0.716SS**THydrogen-bonded Turntrans-130.415.4-178.7-87.5162000114.4C157C157-L159 VanDerWaalsContact C-N 3.31Å; C157-L159 PolarHBondContact O-N 3.29Å
160R37.4Very low62.3Low237 Ų237125.3 Ų125.389%0.89474%0.739SS**  trans-139.974.3174-75.7-170.5-171.5-155.71.7112.5
161S39Very low60.5Low194 Ų194132 Ų132100%1.35777%0.768SS**  trans-165.40147.660.40000108.5

Retrieved 161 of 161 residues in 88.5 ms (Link to these results)

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