A0A061IJC0_CRIGR Loading...

G-protein coupled receptor 61

Orphan G-protein coupled receptor. Constitutively activates the G(s)-alpha/cAMP signaling pathway. Shows a reciprocal regulatory interaction with the melatonin receptor MTNR1B most likely through receptor heteromerization. May be involved in the regulation of food intake and body weight.

AlphaFold DB , UniProt , Accession A0A061IJC0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gpr61, Length 448 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
1M32.2Very low32.4Very low231 Ų231137.9 Ų137.9100%1.13883%0.828SS**  0115.20-117.7155.8170.400105.9
2E32.7Very low32.4Very low182 Ų182140.3 Ų140.385%0.8583%0.833SS**  trans58.3141169-73.4166.696.800118.7
3S29.1Very low32.3Very low106 Ų106138.6 Ų138.674%0.74183%0.833SS**  cis-170.1147.3-10.145.50000107
4S31.1Very low32.4Very low113 Ų113136.1 Ų136.179%0.7983%0.825SS**  trans-70.5157.8177-45.10000112.8
5S33.4Very low32.6Very low111 Ų111135.7 Ų135.778%0.77682%0.823SS**  146130.911859.90000114.6
6I32.9Very low32.8Very low166 Ų166138.2 Ų138.285%0.85183%0.829SS**  trans-133.8124.2154.6-59.9177.9000106.3
7P41.7Very low32.7Very low113 Ų113134.6 Ų134.673%0.73483%0.827SS**  trans-116.2145.1159.134.4-22.5000111.1
8Q32.8Very low33Very low199 Ų199140.5 Ų140.593%0.9383%0.831SS**  trans-129.1142.4159.9-85.5-167.8-12.600110.2
9S29.9Very low33.1Very low109 Ų109137.9 Ų137.976%0.76283%0.827SS**  trans-111.1176.1-167.381.60000112.4
10S31.3Very low33.4Very low120 Ų120138.8 Ų138.884%0.83983%0.827SS**  trans94.3132.8161.579.80000116.6
11G29.1Very low33.5Very low67 Ų67141.2 Ų141.269%0.69183%0.83SS**  cis-174.7159.5-2.700000113.6
12N32.3Very low33.6Very low166 Ų166136 Ų13689%0.88881%0.811SS**  trans50.9119.1144.9-63-8.3000123.6
13S31.5Very low33.9Very low119 Ų119133.7 Ų133.783%0.83281%0.812SS**  -167.3135.4107.944.30000113.4
14S34.6Very low34Very low104 Ų104131.6 Ų131.673%0.72781%0.807SS**  trans-44.4159.417549.60000116.2
15T34.8Very low34.6Very low129 Ų129132.5 Ų132.579%0.79181%0.81SS**  cis-173.7141.547.8-28.70000111.6
16L35.3Very low34.6Very low176 Ų176132.9 Ų132.992%0.92181%0.813SS**  trans2.1130.5153-133.982.1000121.5
17G30.9Very low35.2Very low77 Ų77131.8 Ų131.879%0.79481%0.814SS**  trans-177.175.7162.500000113.6
18R38.8Very low35.1Very low241 Ų241130.6 Ų130.691%0.90981%0.813SS**  trans-82.7111.1173.8-173.7177.2-178140.9-1.5109.1
19A35.1Very low35.6Very low91 Ų91127.1 Ų127.175%0.75281%0.811SS**  trans-125.1115.3166.600000110
20L38.5Very low35.9Very low156 Ų156125.5 Ų125.582%0.81781%0.811SS**  trans-60.6122.4169.6-138.776000108.6
21Q34.8Very low36.6Very low190 Ų190125 Ų12589%0.88880%0.804SS**  trans-107.4116.7165.2-80.2-176.86.200109.7
22T34.4Very low37.5Very low122 Ų122127 Ų12775%0.74880%0.804SS**PPolyproline II helixtrans-65.3151.5165.143.70000111.4G24T22-G24 PolarHBondContact O-N 2.93Å
23P39.8Very low38.3Very low133 Ų133126.2 Ų126.286%0.86480%0.795SS**PPolyproline II helixtrans-77.6124.1179.831.3-31000111
24G31.1Very low39.3Very low62 Ų62127.6 Ų127.664%0.63979%0.792SS**PPolyproline II helixtrans-93.7154.3166.300000111.3T22 S26T22-G24 PolarHBondContact O-N 2.93Å; G24-S26 PolarHBondContact O-N 3.45Å
25P42.8Very low40.4Very low131 Ų131124.6 Ų124.685%0.85178%0.778SS**PPolyproline II helixtrans-79.9117.2-172.231.7-30.8000110.8T27P25-T27 PolarHBondContact O-N 2.81Å
26S35.4Very low41.6Very low120 Ų120124.9 Ų124.984%0.83977%0.774SS**  trans-87.69817047.40000110.3G24G24-S26 PolarHBondContact O-N 3.45Å
27T44Very low42.9Very low142 Ų142123.3 Ų123.387%0.87176%0.762SS**  trans-81.5106.6152.317.90000108.5P25P25-T27 PolarHBondContact O-N 2.81Å
28A39.5Very low44.7Very low88 Ų88124.4 Ų124.473%0.72775%0.749SS**  trans-157.3101.5156.700000109.4
29S43.6Very low46.5Very low127 Ų127117 Ų11789%0.88873%0.731SS**  trans-19.2124.1152.747.40000116.7
30G36Very low48.6Very low74 Ų74115.3 Ų115.376%0.76372%0.716SS**  trans-15689.9156.600000107.8
31V45.7Very low50.5Low111 Ų111111.2 Ų111.267%0.67370%0.701SS**  trans-63.2149.1179.1171.90000110.1E33V31-E33 HydrophobicContact CG1-CG 4.36Å; V31-E33 PolarHBondContact O-N 3.37Å
32P49.8Very low52.8Low107 Ų107106.9 Ų106.970%0.69568%0.681SS**  trans-69.573.7166.530.8-35.5000110.9L34P32-L34 VanDerWaalsContact C-N 3.31Å
33E48.3Very low55.2Low151 Ų151104.3 Ų104.371%0.70667%0.668SS**Hα-helixtrans-70.1-27.4175-87-169.811400112.6V31 Q37V31-E33 HydrophobicContact CG1-CG 4.36Å; V31-E33 PolarHBondContact O-N 3.37Å; E33-Q37 PolarHBondContact O-N 3.21Å
34L52.4Low57.6Low147 Ų147101.8 Ų101.877%0.7765%0.649SS**Hα-helixtrans-68-38.1-177.6-135.687.5000112.9P32 D38P32-L34 VanDerWaalsContact C-N 3.31Å; L34-D38 PolarHBondContact O-N 2.94Å
35G56.6Low60.3Low41 Ų41100.7 Ų100.742%0.42363%0.634SS.*Hα-helixtrans-78-27.8-178.900000114V39G35-V39 WeakPolarHBondContact O-CG2 3.28Å; G35-V39 PolarHBondContact O-N 3.24Å
36L60.7Low62.5Low135 Ų13597.1 Ų97.171%0.70761%0.608SS**Hα-helixtrans-76.5-36179.5-162.274.4000111.7A40L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.45Å; L36-A40 PolarHBondContact O-N 2.98Å
37Q61.9Low65.2Low144 Ų14497.8 Ų97.867%0.67360%0.596SS**Hα-helixtrans-66.9-42176.5-167.2106.925.200111.6E33 A40 S41E33-Q37 PolarHBondContact O-N 3.21Å; Q37-A40 PolarHBondContact O-N 3.4Å; Q37-S41 WeakPolarHBondContact O-CB 3.19Å; Q37-S41 PolarHBondContact O-N 2.84Å; Q37-S41 PolarHBondContact O-OG 3.39Å
38D70.3Confident67.4Low99 Ų9996.4 Ų96.453%0.52958%0.578SS.*Hα-helixtrans-65.2-47.2177.9-80.2-18.9000111.4L34 A40 S41 E42L34-D38 PolarHBondContact O-N 2.94Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.09Å; D38-S41 PolarHBondContact O-N 3.16Å; D38-S41 PolarHBondContact O-OG 2.91Å; D38-E42 WeakPolarHBondContact O-CB 3.3Å; D38-E42 PolarHBondContact O-N 3.41Å
39V75.8Confident70Confident87 Ų8792.9 Ų92.953%0.52755%0.547SS..Hα-helixtrans-62.5-39.4177.5173.80000111.9G35 S43G35-V39 WeakPolarHBondContact O-CG2 3.28Å; G35-V39 PolarHBondContact O-N 3.24Å; V39-S43 WeakPolarHBondContact O-CB 3.4Å; V39-S43 PolarHBondContact O-N 3.28Å; V39-S43 PolarHBondContact O-OG 2.85Å
40A78.4Confident72.5Confident54 Ų5490.7 Ų90.745%0.44653%0.525SS..Hα-helixtrans-65.8-42.6176.200000111.8L36 Q37 D38 S43 V44L36-A40 VanDerWaalsContact O-CB 3.32Å; L36-A40 WeakPolarHBondContact O-CB 3.45Å; L36-A40 PolarHBondContact O-N 2.98Å; Q37-A40 PolarHBondContact O-N 3.4Å; D38-A40 VanDerWaalsContact C-N 3.33Å; D38-A40 PolarHBondContact O-N 3.09Å; A40-S43 PolarHBondContact O-N 2.91Å; A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.4Å; A40-V44 PolarHBondContact O-N 3.28Å
41S80.3Confident75.3Confident70 Ų7091.2 Ų91.249%0.4951%0.509SS..Hα-helixtrans-65.7-40.2178.8760000112.6Q37 D38 V44 A45Q37-S41 WeakPolarHBondContact O-CB 3.19Å; Q37-S41 PolarHBondContact O-N 2.84Å; Q37-S41 PolarHBondContact O-OG 3.39Å; D38-S41 PolarHBondContact O-N 3.16Å; D38-S41 PolarHBondContact O-OG 2.91Å; S41-V44 PolarHBondContact O-N 2.84Å; S41-A45 PolarHBondContact O-N 3.22Å
42E82.4Confident77.7Confident99 Ų9988.2 Ų88.246%0.46349%0.489SS..Hα-helixtrans-67-42.8177-170.4179.2172.400111.4D38 V44 A45 L46D38-E42 WeakPolarHBondContact O-CB 3.3Å; D38-E42 PolarHBondContact O-N 3.41Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.75Å; E42-A45 PolarHBondContact O-N 3.34Å; E42-L46 HydrophobicContact CG-CD1 4.21Å; E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.27Å
43S84.9Confident79.9Confident68 Ų6883.8 Ų83.848%0.47646%0.46SS..Hα-helixtrans-61.3-41.1175.8-60.30000112.1V39 A40 F47V39-S43 WeakPolarHBondContact O-CB 3.4Å; V39-S43 PolarHBondContact O-N 3.28Å; V39-S43 PolarHBondContact O-OG 2.85Å; A40-S43 PolarHBondContact O-N 2.91Å; S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 2.76Å
44V89Confident82.2Confident80 Ų8081.4 Ų81.449%0.48545%0.451SS..Hα-helixtrans-65.9-43.7176.3170.50000110.9A40 S41 E42 F47 F48A40-V44 VanDerWaalsContact O-CG2 3.23Å; A40-V44 WeakPolarHBondContact O-CG2 3.4Å; A40-V44 PolarHBondContact O-N 3.28Å; S41-V44 PolarHBondContact O-N 2.84Å; E42-V44 VanDerWaalsContact C-N 3.32Å; E42-V44 PolarHBondContact O-N 2.75Å; V44-F47 PolarHBondContact O-N 2.93Å; V44-F48 HydrophobicContact CG1-CD2 3.81Å; V44-F48 HydrophobicContact CG1-CE2 3.52Å; V44-F48 WeakPolarHBondContact O-CD2 3.45Å; V44-F48 PolarHBondContact O-N 3.34Å; V44-F48 VanDerWaalsContact O-N 3.15Å
45A87.6Confident84.2Confident39 Ų3977.7 Ų77.732%0.32244%0.435SS..Hα-helixtrans-60.5-47.917600000111.5S41 E42 F47 F48 M49S41-A45 PolarHBondContact O-N 3.22Å; E42-A45 PolarHBondContact O-N 3.34Å; A45-F47 VanDerWaalsContact C-N 3.31Å; A45-F47 PolarHBondContact O-N 3.43Å; A45-F48 PolarHBondContact O-N 3.03Å; A45-M49 HydrophobicContact CB-CE 4.44Å; A45-M49 WeakPolarHBondContact O-CB 3.45Å; A45-M49 VanDerWaalsContact O-CG 3.24Å; A45-M49 WeakPolarHBondContact O-CG 3.35Å; A45-M49 PolarHBondContact O-N 2.89Å
46L89.5Confident86.2Confident57 Ų5775.8 Ų75.830%0.29842%0.415SS..Hα-helixtrans-58.7-40.8177.2-74.3165000112.4E42 M49 L50 M98E42-L46 HydrophobicContact CG-CD1 4.21Å; E42-L46 WeakPolarHBondContact O-CB 3.43Å; E42-L46 WeakPolarHBondContact O-CG 3.32Å; E42-L46 PolarHBondContact O-N 3.27Å; L46-M49 HydrophobicContact CB-CE 4.33Å; L46-M49 HydrophobicContact CD2-CE 3.54Å; L46-M49 HydrophobicContact CG-CE 3.92Å; L46-M49 PolarHBondContact O-N 2.96Å; L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 PolarHBondContact O-N 3.45Å; L46-M98 HydrophobicContact CD2-CE 4.2Å
47F91.8Very high87.9Confident133 Ų13371.3 Ų71.358%0.58339%0.393SS*.Hα-helixtrans-60-46.6175.5175.6-98.7000112.2S43 V44 A45 L50 L51S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 2.76Å; V44-F47 PolarHBondContact O-N 2.93Å; A45-F47 VanDerWaalsContact C-N 3.31Å; A45-F47 PolarHBondContact O-N 3.43Å; F47-L50 PolarHBondContact O-N 2.85Å; F47-L51 WeakPolarHBondContact O-CB 3.5Å; F47-L51 PolarHBondContact O-N 2.7Å
48F92.1Very high89.5Confident114 Ų11467.4 Ų67.450%0.539%0.386SS..Hα-helixtrans-68.1-39.3177.7-75.3-63.6000112.8V44 A45 L51 L52V44-F48 HydrophobicContact CG1-CD2 3.81Å; V44-F48 HydrophobicContact CG1-CE2 3.52Å; V44-F48 WeakPolarHBondContact O-CD2 3.45Å; V44-F48 PolarHBondContact O-N 3.34Å; V44-F48 VanDerWaalsContact O-N 3.15Å; A45-F48 PolarHBondContact O-N 3.03Å; F48-L51 PolarHBondContact O-N 3.25Å; F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 WeakPolarHBondContact O-CG 3.45Å; F48-L52 PolarHBondContact O-N 3.48Å
49M93.4Very high90.7Very high14 Ų1463.8 Ų63.87%0.06937%0.372CS..Hα-helixtrans-60.7-44.6175.2-71.4-174.2-54.400111.3A45 L46 L52 D53 M98 W328A45-M49 HydrophobicContact CB-CE 4.44Å; A45-M49 WeakPolarHBondContact O-CB 3.45Å; A45-M49 VanDerWaalsContact O-CG 3.24Å; A45-M49 WeakPolarHBondContact O-CG 3.35Å; A45-M49 PolarHBondContact O-N 2.89Å; L46-M49 HydrophobicContact CB-CE 4.33Å; L46-M49 HydrophobicContact CD2-CE 3.54Å; L46-M49 HydrophobicContact CG-CE 3.92Å; L46-M49 PolarHBondContact O-N 2.96Å; M49-L52 PolarHBondContact O-N 3.46Å; M49-D53 WeakPolarHBondContact O-CB 3.05Å; M49-D53 PolarHBondContact O-N 3.41Å; M49-M98 HydrophobicContact CB-CE 4.16Å; M49-M98 HydrophobicContact CB-CG 4.18Å; M49-M98 HydrophobicContact CB-SD 4.23Å; M49-W328 HydrophobicContact CB-CD2 4.32Å; M49-W328 HydrophobicContact CB-CE3 4.06Å; M49-W328 HydrophobicContact CB-CH2 3.52Å; M49-W328 HydrophobicContact CB-CZ2 3.8Å; M49-W328 HydrophobicContact CB-CZ3 3.64Å; M49-W328 HydrophobicContact CG-CD2 3.59Å; M49-W328 HydrophobicContact CG-CE3 3.73Å; M49-W328 HydrophobicContact CG-CG 4.2Å; M49-W328 HydrophobicContact CG-CH2 3.87Å; M49-W328 HydrophobicContact CG-CZ2 3.73Å; M49-W328 HydrophobicContact CG-CZ3 3.85Å; M49-W328 HydrophobicContact SD-CD2 3.72Å; M49-W328 HydrophobicContact SD-CE3 4.43Å; M49-W328 HydrophobicContact SD-CG 4.06Å; M49-W328 HydrophobicContact SD-CH2 4.23Å; M49-W328 HydrophobicContact SD-CZ2 3.47Å; M49-W328 WeakPolarHBondContact SD-CZ2 3.43Å; M49-W328 PolarHBondContact SD-NE1 3.47Å
50L94.9Very high91.7Very high81 Ų8159.6 Ų59.642%0.42435%0.346SS..Hα-helixtrans-63.1-44.1174.8-177.963.4000112L46 F47 L52 D53 L54 M98L46-L50 WeakPolarHBondContact O-CB 3.36Å; L46-L50 PolarHBondContact O-N 3.45Å; F47-L50 PolarHBondContact O-N 2.85Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3Å; L50-D53 PolarHBondContact O-N 3.33Å; L50-L54 HydrophobicContact CD1-CD1 4.42Å; L50-L54 HydrophobicContact CD1-CG 4.3Å; L50-L54 HydrophobicContact CG-CD1 4.14Å; L50-L54 HydrophobicContact CG-CG 4.42Å; L50-L54 WeakPolarHBondContact O-CG 3.26Å; L50-L54 PolarHBondContact O-N 3.46Å; L50-M98 HydrophobicContact CB-CE 3.98Å
51L95.5Very high92.5Very high84 Ų8458.8 Ų58.844%0.4434%0.339SS..Hα-helixtrans-62-41.3178.2-17864.3000111.5F47 F48 T55F47-L51 WeakPolarHBondContact O-CB 3.5Å; F47-L51 PolarHBondContact O-N 2.7Å; F48-L51 PolarHBondContact O-N 3.25Å; L51-T55 WeakPolarHBondContact O-CB 3.4Å; L51-T55 PolarHBondContact O-N 2.7Å; L51-T55 PolarHBondContact O-OG1 2.86Å
52L95.2Very high93.1Very high48 Ų4856.8 Ų56.825%0.25133%0.327SS..Hα-helixtrans-61.8-43.1175.3-79.3173.8000112F48 M49 L50 T55 A56 M94 W328 F332 T335F48-L52 WeakPolarHBondContact O-CB 3.32Å; F48-L52 WeakPolarHBondContact O-CG 3.45Å; F48-L52 PolarHBondContact O-N 3.48Å; M49-L52 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3Å; L52-T55 PolarHBondContact O-N 3.07Å; L52-A56 WeakPolarHBondContact O-CB 3.49Å; L52-A56 PolarHBondContact O-N 3.15Å; L52-M94 HydrophobicContact CB-CE 4.41Å; L52-W328 HydrophobicContact CD1-CE3 4.33Å; L52-F332 HydrophobicContact CD2-CD2 3.74Å; L52-F332 HydrophobicContact CD2-CE2 4.2Å; L52-T335 HydrophobicContact CD2-CG2 4.31Å; L52-T335 PolarHBondContact O-OG1 2.89Å
53D96.4Very high93.6Very high15 Ų1552.2 Ų52.28%0.0831%0.306CS..Hα-helixtrans-64.9-50.5178.2-172.849.3000112.1M49 L50 T55 A56 V57 A90 M94M49-D53 WeakPolarHBondContact O-CB 3.05Å; M49-D53 PolarHBondContact O-N 3.41Å; L50-D53 PolarHBondContact O-N 3.33Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.96Å; D53-A56 WeakPolarHBondContact O-CA 3.36Å; D53-A56 WeakPolarHBondContact O-CB 3.3Å; D53-A56 PolarHBondContact O-N 3.39Å; D53-V57 WeakPolarHBondContact O-CG2 3.5Å; D53-V57 PolarHBondContact O-N 3.04Å; D53-A90 WeakPolarHBondContact OD1-CA 3.23Å; D53-M94 HydrophobicContact CB-CE 3.97Å; D53-M94 WeakPolarHBondContact OD1-CB 3.45Å
54L96.9Very high94.1Very high100 Ų10050.8 Ų50.852%0.52429%0.292SS..Hα-helixtrans-58.4-39.6176.4-69.4176.4000112L50 V57 A58L50-L54 HydrophobicContact CD1-CD1 4.42Å; L50-L54 HydrophobicContact CD1-CG 4.3Å; L50-L54 HydrophobicContact CG-CD1 4.14Å; L50-L54 HydrophobicContact CG-CG 4.42Å; L50-L54 WeakPolarHBondContact O-CG 3.26Å; L50-L54 PolarHBondContact O-N 3.46Å; L54-V57 PolarHBondContact O-N 2.74Å; L54-A58 VanDerWaalsContact O-CB 3.32Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 3Å
55T95.6Very high94.2Very high70 Ų7048.8 Ų48.843%0.42928%0.284SS..Hα-helixtrans-66.9-38.6176.1-55.30000111.2L51 L52 D53 G59 T335L51-T55 WeakPolarHBondContact O-CB 3.4Å; L51-T55 PolarHBondContact O-N 2.7Å; L51-T55 PolarHBondContact O-OG1 2.86Å; L52-T55 PolarHBondContact O-N 3.07Å; D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.96Å; T55-G59 PolarHBondContact O-N 3.46Å; T55-T335 HydrophobicContact CG2-CG2 3.64Å
56A96.8Very high94.4Very high0 Ų046.9 Ų46.90%027%0.269CS..Hα-helixtrans-63.9-46.8175.500000111.4L52 D53 N60 A90 M94 T335L52-A56 WeakPolarHBondContact O-CB 3.49Å; L52-A56 PolarHBondContact O-N 3.15Å; D53-A56 WeakPolarHBondContact O-CA 3.36Å; D53-A56 WeakPolarHBondContact O-CB 3.3Å; D53-A56 PolarHBondContact O-N 3.39Å; A56-N60 VanDerWaalsContact O-CB 3.28Å; A56-N60 WeakPolarHBondContact O-CB 3.3Å; A56-N60 PolarHBondContact O-N 2.81Å; A56-N60 PolarHBondContact O-ND2 3.36Å; A56-A90 HydrophobicContact CB-CB 3.81Å; A56-M94 HydrophobicContact CB-SD 4.37Å; A56-T335 HydrophobicContact CB-CG2 4.45Å
57V97.7Very high94.4Very high41 Ų4144.4 Ų44.425%0.24826%0.256CS..Hα-helixtrans-59.5-53.4176.9174.20000110.6D53 L54 A61 L87 A90 L91D53-V57 WeakPolarHBondContact O-CG2 3.5Å; D53-V57 PolarHBondContact O-N 3.04Å; L54-V57 PolarHBondContact O-N 2.74Å; V57-A61 WeakPolarHBondContact O-CB 3.47Å; V57-A61 PolarHBondContact O-N 3.48Å; V57-L87 HydrophobicContact CB-CD1 4.33Å; V57-L87 HydrophobicContact CG1-CD1 3.98Å; V57-L87 HydrophobicContact CG2-CD1 4.48Å; V57-A90 HydrophobicContact CG2-CB 3.71Å; V57-L91 HydrophobicContact CG1-CD2 4.41Å; V57-L91 HydrophobicContact CG2-CD2 4.09Å
58A95.8Very high94.4Very high63 Ų6340.6 Ų40.652%0.52125%0.248SC..Hα-helixtrans-63.7-46.3-177.200000112.3L54 A62L54-A58 VanDerWaalsContact O-CB 3.32Å; L54-A58 WeakPolarHBondContact O-CB 3.31Å; L54-A58 PolarHBondContact O-N 3Å; A58-A62 VanDerWaalsContact O-CB 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.4Å; A58-A62 PolarHBondContact O-N 2.9Å
59G94.4Very high94.3Very high22 Ų2241.5 Ų41.523%0.22725%0.252CS..Hα-helixtrans-64.8-48.1-17800000112.8T55 A62 V63T55-G59 PolarHBondContact O-N 3.46Å; G59-A62 PolarHBondContact O-N 3.07Å; G59-V63 WeakPolarHBondContact O-CG2 3.41Å; G59-V63 PolarHBondContact O-N 3.02Å; G59-V63 VanDerWaalsContact O-N 3.11Å
60N96.4Very high94Very high0 Ų041.9 Ų41.90%026%0.255CS..Hα-helixtrans-68.4-41.8-180-74.5-65.5000111.8A56 A62 V63 M64 C83 D86 L87 F334 P338A56-N60 VanDerWaalsContact O-CB 3.28Å; A56-N60 WeakPolarHBondContact O-CB 3.3Å; A56-N60 PolarHBondContact O-N 2.81Å; A56-N60 PolarHBondContact O-ND2 3.36Å; N60-A62 PolarHBondContact O-N 3.21Å; N60-V63 PolarHBondContact O-N 3.39Å; N60-M64 WeakPolarHBondContact O-CB 3.32Å; N60-M64 PolarHBondContact O-N 3.19Å; N60-C83 HydrophobicContact CB-CB 4.35Å; N60-D86 WeakPolarHBondContact ND2-CB 3.47Å; N60-D86 WeakPolarHBondContact OD1-CB 3.47Å; N60-L87 HydrophobicContact CB-CB 4.11Å; N60-F334 PolarHBondContact ND2-O 3.37Å; N60-P338 HydrophobicContact CB-CG 4.29Å; N60-P338 VanDerWaalsContact CG-CG 3.49Å; N60-P338 WeakPolarHBondContact OD1-CD 3.28Å; N60-P338 WeakPolarHBondContact OD1-CG 3.38Å
61A95.6Very high93.6Very high36 Ų3642.2 Ų42.230%0.29826%0.262SS..Hα-helixtrans-62.3-42175.400000112.2V57 M64 A65V57-A61 WeakPolarHBondContact O-CB 3.47Å; V57-A61 PolarHBondContact O-N 3.48Å; A61-M64 PolarHBondContact O-N 2.99Å; A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 3.41Å
62A92.9Very high93Very high28 Ų2841.6 Ų41.623%0.23127%0.27CS..Hα-helixtrans-63-48.2178.600000112.2A58 G59 N60 M64 A65 V66 L352A58-A62 VanDerWaalsContact O-CB 3.22Å; A58-A62 WeakPolarHBondContact O-CB 3.4Å; A58-A62 PolarHBondContact O-N 2.9Å; G59-A62 PolarHBondContact O-N 3.07Å; N60-A62 PolarHBondContact O-N 3.21Å; A62-M64 VanDerWaalsContact C-N 3.35Å; A62-M64 PolarHBondContact O-N 2.98Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-V66 WeakPolarHBondContact O-CG2 3.47Å; A62-V66 PolarHBondContact O-N 2.84Å; A62-L352 HydrophobicContact CB-CD1 4.39Å
63V93.3Very high92.5Very high3 Ų339.5 Ų39.52%0.01826%0.259CS..Hα-helixtrans-63.3-43.4177.8173.50000110.9G59 N60 A65 V66 I67 P338 I348G59-V63 WeakPolarHBondContact O-CG2 3.41Å; G59-V63 PolarHBondContact O-N 3.02Å; G59-V63 VanDerWaalsContact O-N 3.11Å; N60-V63 PolarHBondContact O-N 3.39Å; V63-A65 PolarHBondContact O-N 3.25Å; V63-V66 PolarHBondContact O-N 3.36Å; V63-I67 HydrophobicContact CG1-CD1 3.8Å; V63-I67 WeakPolarHBondContact O-CG1 3.48Å; V63-I67 PolarHBondContact O-N 3.48Å; V63-P338 HydrophobicContact CG2-CB 3.86Å; V63-I348 HydrophobicContact CG1-CG2 4.46Å
64M94.1Very high91.8Very high38 Ų3846.2 Ų46.219%0.18728%0.283CS..Hα-helixtrans-60.8-44177.4-169.9174.759.500111.9N60 A61 A62 I67 A68 F80 C83 L84 L87N60-M64 WeakPolarHBondContact O-CB 3.32Å; N60-M64 PolarHBondContact O-N 3.19Å; A61-M64 PolarHBondContact O-N 2.99Å; A62-M64 VanDerWaalsContact C-N 3.35Å; A62-M64 PolarHBondContact O-N 2.98Å; M64-I67 PolarHBondContact O-N 3.4Å; M64-A68 WeakPolarHBondContact O-CB 3.3Å; M64-A68 PolarHBondContact O-N 3.33Å; M64-F80 HydrophobicContact CB-CE2 4.43Å; M64-F80 HydrophobicContact CG-CD2 3.75Å; M64-F80 HydrophobicContact CG-CE1 4.47Å; M64-F80 HydrophobicContact CG-CE2 3.24Å; M64-F80 HydrophobicContact CG-CZ 3.66Å; M64-F80 HydrophobicContact SD-CE2 4.21Å; M64-F80 HydrophobicContact SD-CZ 3.99Å; M64-C83 HydrophobicContact CB-CB 4.27Å; M64-L84 HydrophobicContact SD-CB 4.34Å; M64-L84 HydrophobicContact SD-CD1 4.34Å; M64-L87 HydrophobicContact CE-CD2 3.52Å
65A92Very high91.2Very high38 Ų3847.4 Ų47.431%0.31428%0.284SS..Hα-helixtrans-64.2-40.5177.800000112.6A61 A62 V63 A68 K69A61-A65 VanDerWaalsContact O-CB 3.28Å; A61-A65 WeakPolarHBondContact O-CB 3.47Å; A61-A65 PolarHBondContact O-N 3.41Å; A62-A65 PolarHBondContact O-N 2.95Å; V63-A65 PolarHBondContact O-N 3.25Å; A65-A68 PolarHBondContact O-N 2.88Å; A65-K69 WeakPolarHBondContact O-CB 3.45Å; A65-K69 WeakPolarHBondContact O-CG 3.01Å; A65-K69 PolarHBondContact O-N 2.94Å
66V91.1Very high90.9Very high0 Ų044.9 Ų44.90%027%0.267CS..Hα-helixtrans-62.5-45.7175.4168.50000111.1A62 V63 A68 K69 T70 L73 I348 E351 L352 Q355A62-V66 WeakPolarHBondContact O-CG2 3.47Å; A62-V66 PolarHBondContact O-N 2.84Å; V63-V66 PolarHBondContact O-N 3.36Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 3.45Å; V66-K69 PolarHBondContact O-N 3.08Å; V66-T70 WeakPolarHBondContact O-CB 3.25Å; V66-T70 PolarHBondContact O-N 3.43Å; V66-T70 VanDerWaalsContact O-N 3.08Å; V66-T70 PolarHBondContact O-OG1 3.01Å; V66-L73 HydrophobicContact CG1-CD1 3.68Å; V66-I348 HydrophobicContact CG1-CG2 4.43Å; V66-E351 HydrophobicContact CG1-CB 3.68Å; V66-L352 HydrophobicContact CG2-CB 4.42Å; V66-L352 HydrophobicContact CG2-CD1 3.63Å; V66-Q355 HydrophobicContact CG2-CG 4.48Å
67I90.9Very high90.6Very high5 Ų547.1 Ų47.13%0.02628%0.28CS..Hα-helixtrans-64.7-40.8179.1-65.8166.3000110.9V63 M64 L73 V79 F80 I348V63-I67 HydrophobicContact CG1-CD1 3.8Å; V63-I67 WeakPolarHBondContact O-CG1 3.48Å; V63-I67 PolarHBondContact O-N 3.48Å; M64-I67 PolarHBondContact O-N 3.4Å; I67-L73 HydrophobicContact CG1-CB 4.46Å; I67-L73 HydrophobicContact CG2-CB 4.42Å; I67-V79 HydrophobicContact CD1-CB 4.41Å; I67-V79 HydrophobicContact CD1-CG1 4.02Å; I67-F80 HydrophobicContact CB-CD2 4.16Å; I67-F80 HydrophobicContact CD1-CB 4.47Å; I67-F80 HydrophobicContact CG2-CB 4.19Å; I67-F80 HydrophobicContact CG2-CD2 3.9Å; I67-F80 HydrophobicContact CG2-CG 4.5Å; I67-I348 HydrophobicContact CD1-CD1 4.37Å
68A90.8Very high90.4Very high52 Ų5245.7 Ų45.743%0.4327%0.271SS..Hα-helixtrans-65.5-43.5179.400000112.6M64 A65 V66 F80M64-A68 WeakPolarHBondContact O-CB 3.3Å; M64-A68 PolarHBondContact O-N 3.33Å; A65-A68 PolarHBondContact O-N 2.88Å; V66-A68 VanDerWaalsContact C-N 3.34Å; V66-A68 PolarHBondContact O-N 3.45Å; A68-F80 HydrophobicContact CB-CE2 4.34Å
69K90Very high90.3Very high133 Ų13342.7 Ų42.758%0.57825%0.246SC*.Hα-helixtrans-74.4-27.8-177.4-74179177.3173.60113.4A65 V66 P71A65-K69 WeakPolarHBondContact O-CB 3.45Å; A65-K69 WeakPolarHBondContact O-CG 3.01Å; A65-K69 PolarHBondContact O-N 2.94Å; V66-K69 PolarHBondContact O-N 3.08Å; K69-P71 WeakPolarHBondContact O-CD 3.47Å
70T87.6Confident90.3Very high22 Ų2244.9 Ų44.914%0.13525%0.25CC..  trans-102.9108-175.8-57.10000111.7V66 A72 L73 E351V66-T70 WeakPolarHBondContact O-CB 3.25Å; V66-T70 PolarHBondContact O-N 3.43Å; V66-T70 VanDerWaalsContact O-N 3.08Å; V66-T70 PolarHBondContact O-OG1 3.01Å; T70-A72 HydrophobicContact CG2-CB 4.17Å; T70-A72 PolarHBondContact O-N 3.48Å; T70-A72 VanDerWaalsContact O-N 3.14Å; T70-L73 HydrophobicContact CG2-CD1 4.18Å; T70-L73 HydrophobicContact CG2-CG 3.89Å; T70-L73 PolarHBondContact O-N 3.17Å; T70-E351 HydrophobicContact CG2-CG 4.11Å
71P86.5Confident90.3Very high88 Ų8845.4 Ų45.457%0.57125%0.252SS*.G310 helixtrans-56.1-35.6-178.5-26.135.1000113.9K69 L73 R74K69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-L73 PolarHBondContact O-N 3.43Å; P71-R74 WeakPolarHBondContact O-CB 3.49Å; P71-R74 WeakPolarHBondContact O-CG 3.3Å; P71-R74 PolarHBondContact O-N 3.48Å; P71-R74 VanDerWaalsContact O-N 3.16Å
72A83.3Confident90.3Very high72 Ų7243.7 Ų43.760%0.59524%0.238SC*.G310 helixtrans-64-20178.600000114.1T70T70-A72 HydrophobicContact CG2-CB 4.17Å; T70-A72 PolarHBondContact O-N 3.48Å; T70-A72 VanDerWaalsContact O-N 3.14Å
73L83.6Confident90.5Very high4 Ų442.4 Ų42.42%0.02123%0.227CC..G310 helixtrans-95.5-7.5179.2-60.9-178.6000113.1V66 I67 T70 P71 K75 F76 Q347 I348 E351V66-L73 HydrophobicContact CG1-CD1 3.68Å; I67-L73 HydrophobicContact CG1-CB 4.46Å; I67-L73 HydrophobicContact CG2-CB 4.42Å; T70-L73 HydrophobicContact CG2-CD1 4.18Å; T70-L73 HydrophobicContact CG2-CG 3.89Å; T70-L73 PolarHBondContact O-N 3.17Å; P71-L73 PolarHBondContact O-N 3.43Å; L73-K75 PolarHBondContact O-N 3.26Å; L73-F76 HydrophobicContact CB-CD2 4.2Å; L73-F76 HydrophobicContact CD2-CD2 3.95Å; L73-F76 HydrophobicContact CD2-CE2 3.71Å; L73-F76 WeakPolarHBondContact O-CB 3.28Å; L73-F76 WeakPolarHBondContact O-CD2 3.4Å; L73-F76 PolarHBondContact O-N 3.02Å; L73-Q347 HydrophobicContact CD2-CB 3.94Å; L73-I348 HydrophobicContact CD1-CG1 4.24Å; L73-I348 HydrophobicContact CD2-CG1 4.08Å; L73-E351 HydrophobicContact CD1-CB 4.13Å; L73-E351 HydrophobicContact CD1-CG 4.07Å
74R83.1Confident90.7Very high155 Ų15545.1 Ų45.159%0.58524%0.241SC*.THydrogen-bonded Turntrans-61.6-17.4-178.5-68.1180-178.2175.80.6114.2P71 F76 V77P71-R74 WeakPolarHBondContact O-CB 3.49Å; P71-R74 WeakPolarHBondContact O-CG 3.3Å; P71-R74 PolarHBondContact O-N 3.48Å; P71-R74 VanDerWaalsContact O-N 3.16Å; R74-F76 PolarHBondContact O-N 3.21Å; R74-V77 VanDerWaalsContact O-CG2 3.24Å; R74-V77 WeakPolarHBondContact O-CG2 3.45Å
75K83.6Confident90.9Very high125 Ų12543.3 Ų43.354%0.54323%0.232SC..THydrogen-bonded Turntrans-66.3-19.8171.264.8-176.8176.9-176.60113.7L73 V77L73-K75 PolarHBondContact O-N 3.26Å; K75-V77 PolarHBondContact O-N 3.32Å; K75-V77 VanDerWaalsContact O-N 3.09Å
76F88.4Confident91.2Very high17 Ų1741.5 Ų41.58%0.07522%0.217CC..  trans-85.450.9179-62.7-69.8000112.2L73 R74 F78 V79 F80 Q347 I348L73-F76 HydrophobicContact CB-CD2 4.2Å; L73-F76 HydrophobicContact CD2-CD2 3.95Å; L73-F76 HydrophobicContact CD2-CE2 3.71Å; L73-F76 WeakPolarHBondContact O-CB 3.28Å; L73-F76 WeakPolarHBondContact O-CD2 3.4Å; L73-F76 PolarHBondContact O-N 3.02Å; R74-F76 PolarHBondContact O-N 3.21Å; F76-F78 PolarHBondContact O-N 2.87Å; F76-V79 HydrophobicContact CB-CB 4.21Å; F76-V79 HydrophobicContact CB-CG2 4.28Å; F76-V79 PolarHBondContact O-N 3.45Å; F76-F80 PolarHBondContact O-N 2.9Å; F76-Q347 HydrophobicContact CE2-CB 4.41Å; F76-Q347 VanDerWaalsContact CZ-OE1 3.3Å; F76-I348 HydrophobicContact CD2-CD1 4.38Å; F76-I348 HydrophobicContact CD2-CG1 4.41Å; F76-I348 HydrophobicContact CG-CD1 4.49Å
77V92.1Very high91.5Very high47 Ų4742.5 Ų42.529%0.28522%0.223SC..Hα-helixtrans-62.2-40.2-173.8-177.80000112.1R74 K75 V79 F80 H81 V159 L163R74-V77 VanDerWaalsContact O-CG2 3.24Å; R74-V77 WeakPolarHBondContact O-CG2 3.45Å; K75-V77 PolarHBondContact O-N 3.32Å; K75-V77 VanDerWaalsContact O-N 3.09Å; V77-V79 VanDerWaalsContact C-N 3.32Å; V77-V79 PolarHBondContact O-N 3.06Å; V77-F80 WeakPolarHBondContact O-CB 3.38Å; V77-F80 PolarHBondContact O-N 3.31Å; V77-H81 PolarHBondContact O-N 3.31Å; V77-V159 HydrophobicContact CB-CG1 4.04Å; V77-V159 HydrophobicContact CG1-CG1 3.82Å; V77-L163 HydrophobicContact CG1-CD1 4.08Å
78F93.8Very high91.8Very high11 Ų1145.2 Ų45.25%0.04824%0.237CC..Hα-helixtrans-65.5-35.2177.5-66.6-57.6000113F76 H81 L82 A135 I136 E139 M154 V159 V162 L163F76-F78 PolarHBondContact O-N 2.87Å; F78-H81 PolarHBondContact O-N 3.48Å; F78-L82 WeakPolarHBondContact O-CB 3.39Å; F78-L82 PolarHBondContact O-N 2.93Å; F78-A135 HydrophobicContact CD1-CB 4.06Å; F78-A135 HydrophobicContact CE1-CB 4.06Å; F78-A135 HydrophobicContact CZ-CB 4.46Å; F78-I136 HydrophobicContact CB-CD1 4.48Å; F78-I136 HydrophobicContact CB-CG1 3.62Å; F78-E139 HydrophobicContact CD2-CB 4.09Å; F78-E139 HydrophobicContact CD2-CG 4.24Å; F78-E139 HydrophobicContact CE2-CB 4.09Å; F78-E139 HydrophobicContact CE2-CG 4.32Å; F78-M154 HydrophobicContact CD2-CE 4.25Å; F78-M154 HydrophobicContact CE2-CE 3.44Å; F78-M154 VanDerWaalsContact CE2-CE 3.44Å; F78-M154 HydrophobicContact CZ-CE 4.13Å; F78-V159 HydrophobicContact CE1-CG1 4.1Å; F78-V159 HydrophobicContact CZ-CG1 4.16Å; F78-V159 HydrophobicContact CZ-CG2 4.42Å; F78-V162 HydrophobicContact CE1-CB 4.21Å; F78-V162 HydrophobicContact CE1-CG1 3.79Å; F78-V162 HydrophobicContact CZ-CB 4.36Å; F78-V162 HydrophobicContact CZ-CG1 4.11Å; F78-L163 HydrophobicContact CD1-CD2 3.77Å; F78-L163 HydrophobicContact CE1-CD2 3.97Å; F78-L163 HydrophobicContact CE1-CG 4.36Å
79V93.3Very high92.1Very high1 Ų142.7 Ų42.71%0.00622%0.216CC..Hα-helixtrans-69-40.4175.6-178.80000110.3I67 F76 V77 L82 C83 I136 I348I67-V79 HydrophobicContact CD1-CB 4.41Å; I67-V79 HydrophobicContact CD1-CG1 4.02Å; F76-V79 HydrophobicContact CB-CB 4.21Å; F76-V79 HydrophobicContact CB-CG2 4.28Å; F76-V79 PolarHBondContact O-N 3.45Å; V77-V79 VanDerWaalsContact C-N 3.32Å; V77-V79 PolarHBondContact O-N 3.06Å; V79-L82 PolarHBondContact O-N 3.36Å; V79-C83 PolarHBondContact O-N 3.32Å; V79-C83 PolarHBondContact O-SG 3.33Å; V79-I136 HydrophobicContact CG2-CD1 4.31Å; V79-I348 HydrophobicContact CG1-CD1 4.37Å
80F94.6Very high92.5Very high68 Ų6836.4 Ų36.430%0.29819%0.189SC..Hα-helixtrans-60.6-45.7173.7-177.4-84.6000111.8M64 I67 A68 F76 V77 C83 L84M64-F80 HydrophobicContact CB-CE2 4.43Å; M64-F80 HydrophobicContact CG-CD2 3.75Å; M64-F80 HydrophobicContact CG-CE1 4.47Å; M64-F80 HydrophobicContact CG-CE2 3.24Å; M64-F80 HydrophobicContact CG-CZ 3.66Å; M64-F80 HydrophobicContact SD-CE2 4.21Å; M64-F80 HydrophobicContact SD-CZ 3.99Å; I67-F80 HydrophobicContact CB-CD2 4.16Å; I67-F80 HydrophobicContact CD1-CB 4.47Å; I67-F80 HydrophobicContact CG2-CB 4.19Å; I67-F80 HydrophobicContact CG2-CD2 3.9Å; I67-F80 HydrophobicContact CG2-CG 4.5Å; A68-F80 HydrophobicContact CB-CE2 4.34Å; F76-F80 PolarHBondContact O-N 2.9Å; V77-F80 WeakPolarHBondContact O-CB 3.38Å; V77-F80 PolarHBondContact O-N 3.31Å; F80-C83 PolarHBondContact O-N 2.88Å; F80-L84 PolarHBondContact O-N 2.97Å
81H96.1Very high92.9Very high10 Ų1040 Ų405%0.04621%0.207CC..Hα-helixtrans-63.1-41.1176.7173.8-103.1000112.2V77 F78 L84 V85 S132 L163 W167V77-H81 PolarHBondContact O-N 3.31Å; F78-H81 PolarHBondContact O-N 3.48Å; H81-L84 WeakPolarHBondContact O-CB 3.15Å; H81-L84 PolarHBondContact O-N 3.47Å; H81-V85 WeakPolarHBondContact O-CG2 3.45Å; H81-V85 PolarHBondContact O-N 2.96Å; H81-S132 PolarHBondContact CE1-OG 3.09Å; H81-S132 PolarHBondContact ND1-OG 3.4Å; H81-S132 VanDerWaalsContact ND1-OG 3.14Å; H81-L163 HydrophobicContact CB-CD1 4.48Å; H81-L163 HydrophobicContact CB-CD2 3.92Å; H81-W167 AromaticContact CD2-NE1 3.91Å; H81-W167 AromaticContact NE2-CD1 4Å; H81-W167 AromaticContact NE2-CE2 3.8Å; H81-W167 AromaticContact NE2-NE1 3.17Å; H81-W167 PolarHBondContact NE2-NE1 3.45Å; H81-W167 VanDerWaalsContact NE2-NE1 3.17Å
82L95.8Very high93.3Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-57.7-50.1173.4-18064.3000111.3F78 V79 L84 V85 D86 V133 I136 N337 Y341F78-L82 WeakPolarHBondContact O-CB 3.39Å; F78-L82 PolarHBondContact O-N 2.93Å; V79-L82 PolarHBondContact O-N 3.36Å; L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 PolarHBondContact O-N 3.32Å; L82-V85 PolarHBondContact O-N 2.95Å; L82-D86 WeakPolarHBondContact O-CB 3.25Å; L82-D86 PolarHBondContact O-N 3.15Å; L82-V133 HydrophobicContact CD1-CG2 4.08Å; L82-V133 HydrophobicContact CD2-CG2 4.16Å; L82-I136 HydrophobicContact CB-CD1 4.18Å; L82-I136 HydrophobicContact CD2-CD1 3.67Å; L82-N337 HydrophobicContact CD2-CB 4.09Å; L82-N337 HydrophobicContact CG-CB 4.46Å; L82-Y341 HydrophobicContact CD2-CD2 3.59Å; L82-Y341 HydrophobicContact CD2-CE2 3.83Å; L82-Y341 HydrophobicContact CD2-CG 4.16Å
83C96.9Very high93.9Very high2 Ų235 Ų351%0.01417%0.168CC..Hα-helixtrans-62.3-33.9177.6-69.20000113N60 M64 V79 F80 L87N60-C83 HydrophobicContact CB-CB 4.35Å; M64-C83 HydrophobicContact CB-CB 4.27Å; V79-C83 PolarHBondContact O-N 3.32Å; V79-C83 PolarHBondContact O-SG 3.33Å; F80-C83 PolarHBondContact O-N 2.88Å; C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 PolarHBondContact O-N 2.9Å
84L97.4Very high94.4Very high59 Ų5934.9 Ų34.931%0.30917%0.167SC..Hα-helixtrans-65.1-47.2174.2175.964.6000111.2M64 F80 H81 L82 L87 L88M64-L84 HydrophobicContact SD-CB 4.34Å; M64-L84 HydrophobicContact SD-CD1 4.34Å; F80-L84 PolarHBondContact O-N 2.97Å; H81-L84 WeakPolarHBondContact O-CB 3.15Å; H81-L84 PolarHBondContact O-N 3.47Å; L82-L84 VanDerWaalsContact C-N 3.27Å; L82-L84 PolarHBondContact O-N 3.32Å; L84-L87 PolarHBondContact O-N 2.88Å; L84-L88 HydrophobicContact CD1-CD1 4.27Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 4.23Å; L84-L88 WeakPolarHBondContact O-CB 3.23Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.41Å; L84-L88 PolarHBondContact O-N 3.37Å
85V97.9Very high94.9Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-61.4-47.7177.9169.20000110.7H81 L82 L87 L88 A89 F125 L128 A129 W167H81-V85 WeakPolarHBondContact O-CG2 3.45Å; H81-V85 PolarHBondContact O-N 2.96Å; L82-V85 PolarHBondContact O-N 2.95Å; V85-L87 VanDerWaalsContact C-N 3.35Å; V85-L87 PolarHBondContact O-N 2.78Å; V85-L88 PolarHBondContact O-N 2.67Å; V85-A89 WeakPolarHBondContact O-CB 3.14Å; V85-A89 PolarHBondContact O-N 3.24Å; V85-F125 HydrophobicContact CG1-CD1 4.13Å; V85-L128 HydrophobicContact CB-CB 4.46Å; V85-L128 HydrophobicContact CG1-CB 3.48Å; V85-L128 VanDerWaalsContact CG1-CB 3.48Å; V85-L128 HydrophobicContact CG1-CD1 4.33Å; V85-L128 HydrophobicContact CG2-CB 4.08Å; V85-L128 HydrophobicContact CG2-CD1 4.42Å; V85-A129 HydrophobicContact CG1-CB 4.34Å; V85-W167 HydrophobicContact CG2-CZ2 4.45Å
86D97.5Very high95.1Very high0 Ų024.7 Ų24.70%013%0.132CC..Hα-helixtrans-65.1-38.5-179.4-65.5-17.4000111.6N60 L82 A89 A90 F334 N337N60-D86 WeakPolarHBondContact ND2-CB 3.47Å; N60-D86 WeakPolarHBondContact OD1-CB 3.47Å; L82-D86 WeakPolarHBondContact O-CB 3.25Å; L82-D86 PolarHBondContact O-N 3.15Å; D86-A89 PolarHBondContact O-N 3.34Å; D86-A90 WeakPolarHBondContact O-CB 3.47Å; D86-A90 PolarHBondContact O-N 3.34Å; D86-F334 HydrophobicContact CB-CB 4.17Å; D86-F334 VanDerWaalsContact OD1-CD1 3.31Å; D86-F334 WeakPolarHBondContact OD1-CD1 3.22Å; D86-N337 PolarHBondContact OD1-ND2 2.88Å; D86-N337 WeakPolarHBondContact OD2-CB 3.32Å; D86-N337 PolarHBondContact OD2-ND2 3.35Å
87L97.8Very high95.2Very high22 Ų2223.9 Ų23.912%0.11513%0.129CC..Hα-helixtrans-64.8-43.4174.1179.463.6000111.5V57 N60 M64 C83 L84 V85 A89 A90 L91V57-L87 HydrophobicContact CB-CD1 4.33Å; V57-L87 HydrophobicContact CG1-CD1 3.98Å; V57-L87 HydrophobicContact CG2-CD1 4.48Å; N60-L87 HydrophobicContact CB-CB 4.11Å; M64-L87 HydrophobicContact CE-CD2 3.52Å; C83-L87 WeakPolarHBondContact O-CB 3.46Å; C83-L87 PolarHBondContact O-N 2.9Å; L84-L87 PolarHBondContact O-N 2.88Å; V85-L87 VanDerWaalsContact C-N 3.35Å; V85-L87 PolarHBondContact O-N 2.78Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.17Å; L87-A90 PolarHBondContact O-N 2.99Å; L87-L91 HydrophobicContact CD1-CD1 4.11Å; L87-L91 HydrophobicContact CD1-CG 4.2Å; L87-L91 HydrophobicContact CG-CD1 3.99Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.01Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.06Å
88L97.8Very high95Very high61 Ų6123.1 Ų23.132%0.31912%0.122SC..Hα-helixtrans-63.4-39.2176-71.2172.1000111.4L84 V85 L91 T92 F125L84-L88 HydrophobicContact CD1-CD1 4.27Å; L84-L88 HydrophobicContact CD1-CG 4.37Å; L84-L88 HydrophobicContact CG-CD1 4.23Å; L84-L88 WeakPolarHBondContact O-CB 3.23Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.41Å; L84-L88 PolarHBondContact O-N 3.37Å; V85-L88 PolarHBondContact O-N 2.67Å; L88-L91 PolarHBondContact O-N 3.49Å; L88-T92 WeakPolarHBondContact O-CB 3.42Å; L88-T92 PolarHBondContact O-N 3.45Å; L88-T92 VanDerWaalsContact O-N 3.09Å; L88-T92 PolarHBondContact O-OG1 3.03Å; L88-F125 HydrophobicContact CB-CE1 3.52Å; L88-F125 HydrophobicContact CB-CZ 3.72Å; L88-F125 HydrophobicContact CD1-CE1 4.4Å
89A97.6Very high94.5Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-64.3-44.2174.700000111.9V85 D86 L87 L91 T92 L93 M94 F125 F334V85-A89 WeakPolarHBondContact O-CB 3.14Å; V85-A89 PolarHBondContact O-N 3.24Å; D86-A89 PolarHBondContact O-N 3.34Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.17Å; A89-L91 VanDerWaalsContact C-N 3.34Å; A89-L91 PolarHBondContact O-N 3.11Å; A89-T92 PolarHBondContact O-N 3.33Å; A89-L93 HydrophobicContact CB-CB 4.43Å; A89-L93 WeakPolarHBondContact O-CA 3.3Å; A89-L93 WeakPolarHBondContact O-CB 3.45Å; A89-L93 PolarHBondContact O-N 3.33Å; A89-M94 PolarHBondContact O-N 2.96Å; A89-F125 HydrophobicContact CB-CB 3.93Å; A89-F125 HydrophobicContact CB-CD1 4.09Å; A89-F125 HydrophobicContact CB-CD2 4.3Å; A89-F125 HydrophobicContact CB-CG 3.87Å; A89-F334 HydrophobicContact CB-CD2 4.07Å; A89-F334 HydrophobicContact CB-CE1 4.46Å; A89-F334 HydrophobicContact CB-CE2 3.98Å; A89-F334 HydrophobicContact CB-CG 4.35Å; A89-F334 HydrophobicContact CB-CZ 4.19Å
90A97.1Very high93.8Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-64.2-37.1175.300000112.1D53 A56 V57 D86 L87 T92 M94 P95D53-A90 WeakPolarHBondContact OD1-CA 3.23Å; A56-A90 HydrophobicContact CB-CB 3.81Å; V57-A90 HydrophobicContact CG2-CB 3.71Å; D86-A90 WeakPolarHBondContact O-CB 3.47Å; D86-A90 PolarHBondContact O-N 3.34Å; L87-A90 PolarHBondContact O-N 2.99Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.88Å; A90-M94 HydrophobicContact CB-SD 4.17Å; A90-P95 WeakPolarHBondContact O-CD 3.46Å; A90-P95 WeakPolarHBondContact O-CG 3.42Å
91L96.7Very high92.7Very high99 Ų9927.7 Ų27.752%0.51816%0.157SC..Hα-helixtrans-76-19.8178.9-69.1173.8000114.3V57 L87 L88 A89V57-L91 HydrophobicContact CG1-CD2 4.41Å; V57-L91 HydrophobicContact CG2-CD2 4.09Å; L87-L91 HydrophobicContact CD1-CD1 4.11Å; L87-L91 HydrophobicContact CD1-CG 4.2Å; L87-L91 HydrophobicContact CG-CD1 3.99Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.01Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.06Å; L88-L91 PolarHBondContact O-N 3.49Å; A89-L91 VanDerWaalsContact C-N 3.34Å; A89-L91 PolarHBondContact O-N 3.11Å
92T95.4Very high91.6Very high55 Ų5528.9 Ų28.934%0.33717%0.167SC..Hα-helixtrans-127.5-59.7-170.9620000113.1L88 A89 A90 L96 F125L88-T92 WeakPolarHBondContact O-CB 3.42Å; L88-T92 PolarHBondContact O-N 3.45Å; L88-T92 VanDerWaalsContact O-N 3.09Å; L88-T92 PolarHBondContact O-OG1 3.03Å; A89-T92 PolarHBondContact O-N 3.33Å; A90-T92 VanDerWaalsContact C-N 3.34Å; A90-T92 PolarHBondContact O-N 2.88Å; T92-L96 WeakPolarHBondContact O-CB 3.48Å; T92-L96 PolarHBondContact O-N 2.95Å; T92-F125 VanDerWaalsContact OG1-CE2 3.31Å; T92-F125 WeakPolarHBondContact OG1-CE2 3.31Å
93L94.8Very high90Very high0 Ų032.4 Ų32.40%020%0.196CC..Hα-helixtrans-68.5-48.5-174.4174.661.1000112.6A89 L96 A97 Y118 L121 F125 Y331 F334A89-L93 HydrophobicContact CB-CB 4.43Å; A89-L93 WeakPolarHBondContact O-CA 3.3Å; A89-L93 WeakPolarHBondContact O-CB 3.45Å; A89-L93 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.34Å; L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.39Å; L93-Y118 HydrophobicContact CD1-CD2 3.84Å; L93-Y118 HydrophobicContact CD1-CE2 3.71Å; L93-L121 HydrophobicContact CD1-CB 4.19Å; L93-F125 HydrophobicContact CB-CD2 4.07Å; L93-F125 HydrophobicContact CD2-CB 3.98Å; L93-F125 HydrophobicContact CD2-CD2 4.39Å; L93-Y331 HydrophobicContact CD2-CE1 3.8Å; L93-Y331 HydrophobicContact CG-CE1 4.36Å; L93-Y331 HydrophobicContact CG-CE2 4.31Å; L93-F334 HydrophobicContact CD2-CE2 4.13Å; L93-F334 HydrophobicContact CD2-CZ 4.43Å
94M94.4Very high88.2Confident1 Ų137 Ų371%0.00522%0.22CC..Hα-helixtrans-64.6-45.8-176.6-67.3177.868.300112.1L52 D53 A56 A89 A90 L96 A97 M98 W328 Y331 F334L52-M94 HydrophobicContact CB-CE 4.41Å; D53-M94 HydrophobicContact CB-CE 3.97Å; D53-M94 WeakPolarHBondContact OD1-CB 3.45Å; A56-M94 HydrophobicContact CB-SD 4.37Å; A89-M94 PolarHBondContact O-N 2.96Å; A90-M94 HydrophobicContact CB-SD 4.17Å; M94-L96 VanDerWaalsContact C-N 3.33Å; M94-L96 PolarHBondContact O-N 3.33Å; M94-A97 WeakPolarHBondContact O-CB 3.36Å; M94-A97 PolarHBondContact O-N 3.43Å; M94-M98 WeakPolarHBondContact O-CG 3.43Å; M94-M98 PolarHBondContact O-N 2.94Å; M94-W328 HydrophobicContact CB-CH2 4.34Å; M94-W328 HydrophobicContact CE-CE3 4.28Å; M94-W328 HydrophobicContact CE-CH2 4.26Å; M94-W328 HydrophobicContact CE-CZ3 3.54Å; M94-Y331 HydrophobicContact CG-CD2 4.11Å; M94-Y331 HydrophobicContact CG-CG 4.43Å; M94-F334 HydrophobicContact SD-CD2 4.16Å
95P93Very high86.7Confident40 Ų4035.4 Ų35.426%0.2621%0.21SC..Hα-helixtrans-60.3-40.8172.4-26.834000112.7A90 A97 M98 L99A90-P95 WeakPolarHBondContact O-CD 3.46Å; A90-P95 WeakPolarHBondContact O-CG 3.42Å; P95-A97 VanDerWaalsContact C-N 3.3Å; P95-A97 PolarHBondContact O-N 2.88Å; P95-M98 PolarHBondContact O-N 3.29Å; P95-L99 VanDerWaalsContact O-CG 3.28Å; P95-L99 WeakPolarHBondContact O-CG 3.39Å; P95-L99 PolarHBondContact O-N 3.41Å
96L89.6Confident84.9Confident25 Ų2541.2 Ų41.213%0.13124%0.242CC..Hα-helixtrans-66-34.8177.8-169.161.6000111.8T92 L93 M94 L99 S100 F105 A114 L117 Y118 L121T92-L96 WeakPolarHBondContact O-CB 3.48Å; T92-L96 PolarHBondContact O-N 2.95Å; L93-L96 PolarHBondContact O-N 3.34Å; M94-L96 VanDerWaalsContact C-N 3.33Å; M94-L96 PolarHBondContact O-N 3.33Å; L96-L99 PolarHBondContact O-N 3.33Å; L96-S100 PolarHBondContact O-N 2.97Å; L96-F105 HydrophobicContact CD1-CE2 4.25Å; L96-F105 HydrophobicContact CD1-CZ 3.72Å; L96-F105 HydrophobicContact CG-CZ 4.4Å; L96-A114 HydrophobicContact CD1-CB 4.47Å; L96-L117 HydrophobicContact CD2-CB 4.46Å; L96-L117 HydrophobicContact CD2-CD2 4.35Å; L96-L117 HydrophobicContact CD2-CG 4.14Å; L96-Y118 HydrophobicContact CB-CD2 4.42Å; L96-Y118 VanDerWaalsContact CD2-CA 3.48Å; L96-Y118 HydrophobicContact CD2-CD2 4.32Å; L96-Y118 HydrophobicContact CG-CD2 4.13Å; L96-Y118 HydrophobicContact CG-CG 4.46Å; L96-L121 HydrophobicContact CD2-CD1 4.15Å
97A88.9Confident83.2Confident1 Ų147.1 Ų47.11%0.00827%0.269CS..Hα-helixtrans-65.3-43.3172.600000112L93 M94 P95 L99 S100 Y118 W328 Y331L93-A97 WeakPolarHBondContact O-CB 3.27Å; L93-A97 PolarHBondContact O-N 3.39Å; M94-A97 WeakPolarHBondContact O-CB 3.36Å; M94-A97 PolarHBondContact O-N 3.43Å; P95-A97 VanDerWaalsContact C-N 3.3Å; P95-A97 PolarHBondContact O-N 2.88Å; A97-L99 VanDerWaalsContact C-N 3.3Å; A97-L99 PolarHBondContact O-N 3.22Å; A97-S100 WeakPolarHBondContact O-CB 3.35Å; A97-S100 PolarHBondContact O-N 2.93Å; A97-S100 PolarHBondContact O-OG 3.28Å; A97-Y118 HydrophobicContact CB-CE2 3.65Å; A97-W328 HydrophobicContact CB-CZ2 4.17Å; A97-Y331 HydrophobicContact CB-CE2 3.74Å
98M88.1Confident81.5Confident31 Ų3150.1 Ų50.115%0.15330%0.297CS..Hα-helixtrans-62.4-38.4175-66176.467.900112L46 M49 L50 M94 P95 S100 S101 W328L46-M98 HydrophobicContact CD2-CE 4.2Å; M49-M98 HydrophobicContact CB-CE 4.16Å; M49-M98 HydrophobicContact CB-CG 4.18Å; M49-M98 HydrophobicContact CB-SD 4.23Å; L50-M98 HydrophobicContact CB-CE 3.98Å; M94-M98 WeakPolarHBondContact O-CG 3.43Å; M94-M98 PolarHBondContact O-N 2.94Å; P95-M98 PolarHBondContact O-N 3.29Å; M98-S100 VanDerWaalsContact C-N 3.31Å; M98-S101 PolarHBondContact O-OG 2.88Å; M98-W328 HydrophobicContact CB-CZ2 4.5Å; M98-W328 HydrophobicContact CG-CH2 3.46Å; M98-W328 VanDerWaalsContact CG-CH2 3.46Å; M98-W328 HydrophobicContact CG-CZ2 3.4Å; M98-W328 HydrophobicContact SD-CH2 4.02Å
99L84.4Confident79.8Confident76 Ų7654.6 Ų54.640%0.39832%0.321SS..Hα-helixtrans-73-25.4178.4-68.8165.8000112.1P95 L96 A97 S101 S102 L104 F105P95-L99 VanDerWaalsContact O-CG 3.28Å; P95-L99 WeakPolarHBondContact O-CG 3.39Å; P95-L99 PolarHBondContact O-N 3.41Å; L96-L99 PolarHBondContact O-N 3.33Å; A97-L99 VanDerWaalsContact C-N 3.3Å; A97-L99 PolarHBondContact O-N 3.22Å; L99-S101 PolarHBondContact O-N 3.45Å; L99-S102 WeakPolarHBondContact O-CB 3.34Å; L99-S102 PolarHBondContact O-N 3.4Å; L99-S102 PolarHBondContact O-OG 2.95Å; L99-L104 HydrophobicContact CD2-CD1 4.06Å; L99-F105 VanDerWaalsContact C-CE2 3.44Å; L99-F105 HydrophobicContact CB-CD2 4.28Å; L99-F105 HydrophobicContact CB-CE2 3.66Å; L99-F105 WeakPolarHBondContact O-CD2 3.2Å; L99-F105 WeakPolarHBondContact O-CE2 3.35Å
100S78.3Confident78.4Confident37 Ų3760.9 Ų60.926%0.25935%0.348SS..Hα-helixtrans-62.6-24.2-178.176.20000114.2L96 A97 M98L96-S100 PolarHBondContact O-N 2.97Å; A97-S100 WeakPolarHBondContact O-CB 3.35Å; A97-S100 PolarHBondContact O-N 2.93Å; A97-S100 PolarHBondContact O-OG 3.28Å; M98-S100 VanDerWaalsContact C-N 3.31Å
101S71.6Confident77.3Confident62 Ų6261.2 Ų61.243%0.43435%0.351SS..THydrogen-bonded Turntrans-89.4-6173.860.30000113.4M98 L99M98-S101 PolarHBondContact O-OG 2.88Å; L99-S101 PolarHBondContact O-N 3.45Å
102S71.8Confident76.4Confident36 Ų3659.1 Ų59.125%0.25234%0.339SS..SBendtrans-90.7153.6-177.176.70000112.5L99 L104 F105L99-S102 WeakPolarHBondContact O-CB 3.34Å; L99-S102 PolarHBondContact O-N 3.4Å; L99-S102 PolarHBondContact O-OG 2.95Å; S102-L104 PolarHBondContact O-N 3.16Å; S102-F105 PolarHBondContact O-N 3.48Å; S102-F105 VanDerWaalsContact O-N 3.1Å
103A62.4Low75.7Confident73 Ų7361.2 Ų61.260%0.60335%0.351SS*.G310 helixtrans-59.3-9177.200000114.7F105 D106A103-F105 PolarHBondContact O-N 3.47Å; A103-D106 WeakPolarHBondContact CA-OD2 3.27Å; A103-D106 WeakPolarHBondContact O-CB 3.35Å; A103-D106 PolarHBondContact O-N 3.06Å
104L59.9Low75.1Confident99 Ų9961.6 Ų61.652%0.51835%0.354SS..G310 helixtrans-68.5-24.6174.7-66.3174.4000112.6L99 S102 D106L99-L104 HydrophobicContact CD2-CD1 4.06Å; S102-L104 PolarHBondContact O-N 3.16Å; L104-D106 VanDerWaalsContact C-N 3.28Å
105F64.9Low74.5Confident25 Ų2561.8 Ų61.811%0.1136%0.356CS..G310 helixtrans-78.7-8.6173.8-89.6-111.1000113.1L96 L99 S102 A103 H107 G111 A114L96-F105 HydrophobicContact CD1-CE2 4.25Å; L96-F105 HydrophobicContact CD1-CZ 3.72Å; L96-F105 HydrophobicContact CG-CZ 4.4Å; L99-F105 VanDerWaalsContact C-CE2 3.44Å; L99-F105 HydrophobicContact CB-CD2 4.28Å; L99-F105 HydrophobicContact CB-CE2 3.66Å; L99-F105 WeakPolarHBondContact O-CD2 3.2Å; L99-F105 WeakPolarHBondContact O-CE2 3.35Å; S102-F105 PolarHBondContact O-N 3.48Å; S102-F105 VanDerWaalsContact O-N 3.1Å; A103-F105 PolarHBondContact O-N 3.47Å; F105-H107 PolarHBondContact O-N 2.89Å; F105-G111 WeakPolarHBondContact O-CA 3.49Å; F105-A114 HydrophobicContact CD1-CB 4.15Å; F105-A114 HydrophobicContact CE1-CB 3.44Å; F105-A114 VanDerWaalsContact CE1-CB 3.44Å; F105-A114 HydrophobicContact CE2-CB 4.21Å; F105-A114 HydrophobicContact CZ-CB 3.5Å; F105-A114 VanDerWaalsContact CZ-CB 3.5Å
106D60.1Low74Confident123 Ų12363.5 Ų63.566%0.65836%0.357SS*.G310 helixtrans-75.9-8.3178.8-69.8-32.4000113.6A103 L104 A108A103-D106 WeakPolarHBondContact CA-OD2 3.27Å; A103-D106 WeakPolarHBondContact O-CB 3.35Å; A103-D106 PolarHBondContact O-N 3.06Å; L104-D106 VanDerWaalsContact C-N 3.28Å; D106-A108 PolarHBondContact O-N 3.1Å
107H62.2Low73.9Confident123 Ų12366.5 Ų66.557%0.56937%0.372SS*.SBendtrans-74.7112.7172.7-71.4-49.6000111F105 L109 F110 G111F105-H107 PolarHBondContact O-N 2.89Å; H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 3.42Å; H107-F110 HydrophobicContact CB-CB 4.18Å; H107-F110 PolarHBondContact O-N 3.27Å; H107-F110 VanDerWaalsContact O-N 3.13Å; H107-G111 PolarHBondContact O-N 3.35Å
108A62Low73.9Confident85 Ų8567.3 Ų67.370%0.70238%0.375SS*.Hα-helixtrans-49-38.8-168.900000116.6D106D106-A108 PolarHBondContact O-N 3.1Å
109L62.3Low73.9Confident156 Ų15666.2 Ų66.282%0.81737%0.37SS*.Hα-helixtrans-87.5-39179.6-66.7177.3000113.4H107H107-L109 VanDerWaalsContact C-N 3.32Å; H107-L109 PolarHBondContact O-N 3.42Å
110F69.4Low74.3Confident132 Ų13265.5 Ų65.558%0.57936%0.364SS*.Hα-helixtrans-74.4-40.1-179.1-179.5-102.1000111.3H107 E112 V113 A114H107-F110 HydrophobicContact CB-CB 4.18Å; H107-F110 PolarHBondContact O-N 3.27Å; H107-F110 VanDerWaalsContact O-N 3.13Å; F110-E112 PolarHBondContact O-N 3.48Å; F110-V113 PolarHBondContact O-N 3.32Å; F110-A114 WeakPolarHBondContact O-CB 3.13Å; F110-A114 PolarHBondContact O-N 3.47Å
111G73.7Confident75.1Confident6 Ų665 Ų656%0.06236%0.359CS..Hα-helixtrans-58-46.8176.900000112.3F105 H107 A114 C115F105-G111 WeakPolarHBondContact O-CA 3.49Å; H107-G111 PolarHBondContact O-N 3.35Å; G111-A114 PolarHBondContact O-N 3.16Å; G111-C115 WeakPolarHBondContact O-CB 3.24Å; G111-C115 PolarHBondContact O-N 3.38Å
112E77.4Confident76.1Confident55 Ų5562.3 Ų62.326%0.25734%0.339SS..Hα-helixtrans-66.2-43.9-178-177.756.4-156.500112.6F110 C115 R116F110-E112 PolarHBondContact O-N 3.48Å; E112-C115 WeakPolarHBondContact O-CB 3.47Å; E112-C115 PolarHBondContact O-N 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.15Å; E112-R116 PolarHBondContact O-N 3.01Å; E112-R116 IonicContact OE1-CZ 3.96Å; E112-R116 IonicContact OE1-NE 2.7Å; E112-R116 PolarHBondContact OE1-NE 2.87Å; E112-R116 IonicContact OE1-NH2 2.77Å; E112-R116 PolarHBondContact OE1-NH2 3.11Å
113V80.6Confident77.1Confident100 Ų10060.6 Ų60.661%0.60633%0.328SS*.Hα-helixtrans-65.5-44.3176.9177.20000110.8F110 C115 R116 L117F110-V113 PolarHBondContact O-N 3.32Å; V113-C115 VanDerWaalsContact C-N 3.29Å; V113-C115 PolarHBondContact O-N 2.91Å; V113-R116 PolarHBondContact O-N 3.23Å; V113-L117 WeakPolarHBondContact O-CB 3.4Å; V113-L117 PolarHBondContact O-N 3.28Å
114A81.5Confident78.8Confident7 Ų757.4 Ų57.46%0.05830%0.3CS..Hα-helixtrans-63.7-35.9177.300000111.7L96 F105 F110 G111 Y118L96-A114 HydrophobicContact CD1-CB 4.47Å; F105-A114 HydrophobicContact CD1-CB 4.15Å; F105-A114 HydrophobicContact CE1-CB 3.44Å; F105-A114 VanDerWaalsContact CE1-CB 3.44Å; F105-A114 HydrophobicContact CE2-CB 4.21Å; F105-A114 HydrophobicContact CZ-CB 3.5Å; F105-A114 VanDerWaalsContact CZ-CB 3.5Å; F110-A114 WeakPolarHBondContact O-CB 3.13Å; F110-A114 PolarHBondContact O-N 3.47Å; G111-A114 PolarHBondContact O-N 3.16Å; A114-Y118 WeakPolarHBondContact O-CB 3.18Å; A114-Y118 PolarHBondContact O-N 2.97Å
115C81.6Confident80.6Confident5 Ų553.5 Ų53.53%0.03428%0.28CS..Hα-helixtrans-63.5-49.5174.7-156.70000112.3G111 E112 V113 L117 Y118 L119 C195G111-C115 WeakPolarHBondContact O-CB 3.24Å; G111-C115 PolarHBondContact O-N 3.38Å; E112-C115 WeakPolarHBondContact O-CB 3.47Å; E112-C115 PolarHBondContact O-N 3.39Å; V113-C115 VanDerWaalsContact C-N 3.29Å; V113-C115 PolarHBondContact O-N 2.91Å; C115-L117 VanDerWaalsContact C-N 3.32Å; C115-L117 PolarHBondContact O-N 3.42Å; C115-Y118 WeakPolarHBondContact O-CB 3.13Å; C115-Y118 PolarHBondContact O-N 3.47Å; C115-L119 WeakPolarHBondContact O-CG 3.31Å; C115-L119 PolarHBondContact O-N 2.82Å; C115-C195 WeakPolarHBondContact CA-SG 3.17Å; C115-C195 HydrophobicContact CB-CB 4.19Å; C115-C195 WeakPolarHBondContact CB-SG 3.45Å; C115-C195 WeakPolarHBondContact SG-CA 3.46Å; C115-C195 WeakPolarHBondContact SG-CB 3.41Å; C115-C195 CovalentContact SG-SG 2.03Å; C115-C195 PolarHBondContact SG-SG 3.38Å
116R84.4Confident82Confident77 Ų7752.4 Ų52.429%0.29128%0.275SS..Hα-helixtrans-60.7-44.6177.5-71.1176.5-170.1-164.5-0.5110.9E112 V113 F120 E185E112-R116 WeakPolarHBondContact O-CG 3.15Å; E112-R116 PolarHBondContact O-N 3.01Å; E112-R116 IonicContact OE1-CZ 3.96Å; E112-R116 IonicContact OE1-NE 2.7Å; E112-R116 PolarHBondContact OE1-NE 2.87Å; E112-R116 IonicContact OE1-NH2 2.77Å; E112-R116 PolarHBondContact OE1-NH2 3.11Å; V113-R116 PolarHBondContact O-N 3.23Å; R116-F120 WeakPolarHBondContact O-CB 3.33Å; R116-F120 PolarHBondContact O-N 3.24Å; R116-E185 IonicContact CZ-OE2 2.82Å; R116-E185 IonicContact NH2-OE1 3.2Å; R116-E185 IonicContact NH2-OE2 3.77Å; R116-E185 PolarHBondContact NH2-OE2 2.92Å
117L87.5Confident83.8Confident87 Ų8746.5 Ų46.546%0.45524%0.243SC..Hα-helixtrans-62.9-44.5176-176.862.3000111.1L96 V113 C115 F120 L121L96-L117 HydrophobicContact CD2-CB 4.46Å; L96-L117 HydrophobicContact CD2-CD2 4.35Å; L96-L117 HydrophobicContact CD2-CG 4.14Å; V113-L117 WeakPolarHBondContact O-CB 3.4Å; V113-L117 PolarHBondContact O-N 3.28Å; C115-L117 VanDerWaalsContact C-N 3.32Å; C115-L117 PolarHBondContact O-N 3.42Å; L117-F120 PolarHBondContact O-N 3.29Å; L117-L121 HydrophobicContact CD1-CD1 3.91Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.9Å; L117-L121 HydrophobicContact CD2-CD1 4.47Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.19Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.35Å
118Y88.8Confident85.5Confident18 Ų1840.7 Ų40.77%0.07122%0.216CC..Hα-helixtrans-58.1-51.1178.1172.4-115.8000112.1L93 L96 A97 A114 C115 F120 L121 S122 C195 Y331L93-Y118 HydrophobicContact CD1-CD2 3.84Å; L93-Y118 HydrophobicContact CD1-CE2 3.71Å; L96-Y118 HydrophobicContact CB-CD2 4.42Å; L96-Y118 VanDerWaalsContact CD2-CA 3.48Å; L96-Y118 HydrophobicContact CD2-CD2 4.32Å; L96-Y118 HydrophobicContact CG-CD2 4.13Å; L96-Y118 HydrophobicContact CG-CG 4.46Å; A97-Y118 HydrophobicContact CB-CE2 3.65Å; A114-Y118 WeakPolarHBondContact O-CB 3.18Å; A114-Y118 PolarHBondContact O-N 2.97Å; C115-Y118 WeakPolarHBondContact O-CB 3.13Å; C115-Y118 PolarHBondContact O-N 3.47Å; Y118-F120 PolarHBondContact O-N 2.73Å; Y118-L121 PolarHBondContact O-N 3.09Å; Y118-S122 WeakPolarHBondContact O-CB 3.5Å; Y118-S122 PolarHBondContact O-N 3.17Å; Y118-C195 HydrophobicContact CD1-CB 4.33Å; Y118-Y331 PolarHBondContact OH-OH 3.46Å
119L87.9Confident87.1Confident8 Ų836.7 Ų36.74%0.04218%0.183CC..Hα-helixtrans-63.7-41.6179.7-66.1174.1000111.8C115 S122 V123 L197C115-L119 WeakPolarHBondContact O-CG 3.31Å; C115-L119 PolarHBondContact O-N 2.82Å; L119-S122 PolarHBondContact O-N 3.04Å; L119-V123 WeakPolarHBondContact O-CG2 3.47Å; L119-V123 PolarHBondContact O-N 2.93Å; L119-L197 HydrophobicContact CD2-CD1 4.28Å
120F92.3Very high88.7Confident61 Ų6129.2 Ų29.227%0.26814%0.144SC..Hα-helixtrans-60.7-51.7175.7179-94.8000111.6R116 L117 Y118 S122 C124 L171 A174 V178R116-F120 WeakPolarHBondContact O-CB 3.33Å; R116-F120 PolarHBondContact O-N 3.24Å; L117-F120 PolarHBondContact O-N 3.29Å; Y118-F120 PolarHBondContact O-N 2.73Å; F120-S122 VanDerWaalsContact C-N 3.32Å; F120-S122 PolarHBondContact O-N 3Å; F120-C124 WeakPolarHBondContact O-CB 3.34Å; F120-C124 PolarHBondContact O-N 3.43Å; F120-L171 HydrophobicContact CZ-CD2 3.89Å; F120-A174 HydrophobicContact CD2-CB 3.78Å; F120-A174 WeakPolarHBondContact CD2-O 3.46Å; F120-A174 HydrophobicContact CE2-CB 3.68Å; F120-A174 HydrophobicContact CG-CB 4.4Å; F120-A174 HydrophobicContact CZ-CB 4.22Å; F120-V178 HydrophobicContact CB-CG2 3.85Å; F120-V178 HydrophobicContact CD2-CG2 4Å; F120-V178 HydrophobicContact CG-CG2 4.4Å
121L93.9Very high90Very high28 Ų2824.3 Ų24.315%0.14712%0.124CC..Hα-helixtrans-64.7-38.3-179.9-67.5-178.9000111.4L93 L96 L117 Y118 C124 F125L93-L121 HydrophobicContact CD1-CB 4.19Å; L96-L121 HydrophobicContact CD2-CD1 4.15Å; L117-L121 HydrophobicContact CD1-CD1 3.91Å; L117-L121 HydrophobicContact CD1-CD2 4.33Å; L117-L121 HydrophobicContact CD1-CG 3.9Å; L117-L121 HydrophobicContact CD2-CD1 4.47Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.19Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.33Å; L117-L121 PolarHBondContact O-N 3.35Å; Y118-L121 PolarHBondContact O-N 3.09Å; L121-C124 PolarHBondContact O-N 3.32Å; L121-F125 HydrophobicContact CB-CD2 4.09Å; L121-F125 HydrophobicContact CB-CE2 4.26Å; L121-F125 HydrophobicContact CD2-CD2 4.39Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 HydrophobicContact CG-CE2 4.46Å; L121-F125 WeakPolarHBondContact O-CB 3.32Å; L121-F125 VanDerWaalsContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 PolarHBondContact O-N 2.9Å
122S93.2Very high91Very high4 Ų424.1 Ų24.13%0.02812%0.121CC..Hα-helixtrans-59.7-55.9177.8-173.70000110.6Y118 L119 F120 C124 V126 Y331Y118-S122 WeakPolarHBondContact O-CB 3.5Å; Y118-S122 PolarHBondContact O-N 3.17Å; L119-S122 PolarHBondContact O-N 3.04Å; F120-S122 VanDerWaalsContact C-N 3.32Å; F120-S122 PolarHBondContact O-N 3Å; S122-C124 VanDerWaalsContact C-N 3.32Å; S122-C124 PolarHBondContact O-N 3.17Å; S122-V126 WeakPolarHBondContact O-CB 3.41Å; S122-V126 WeakPolarHBondContact O-CG2 3.39Å; S122-V126 PolarHBondContact O-N 3.37Å; S122-Y331 PolarHBondContact OG-OH 2.97Å
123V94Very high91.8Very high1 Ų121.7 Ų21.71%0.00611%0.11CC..Hα-helixtrans-63.5-39.2178.71770000111.3L119 S127 M173 A174 P177 L197 F208 F212L119-V123 WeakPolarHBondContact O-CG2 3.47Å; L119-V123 PolarHBondContact O-N 2.93Å; V123-S127 WeakPolarHBondContact O-CB 3.49Å; V123-S127 PolarHBondContact O-N 3.45Å; V123-S127 PolarHBondContact O-OG 2.91Å; V123-M173 HydrophobicContact CG1-CB 4.43Å; V123-A174 HydrophobicContact CB-CB 4.28Å; V123-A174 HydrophobicContact CG1-CB 4.2Å; V123-P177 HydrophobicContact CG2-CG 4.19Å; V123-L197 HydrophobicContact CG2-CD1 4.03Å; V123-F208 HydrophobicContact CG1-CZ 4.26Å; V123-F208 HydrophobicContact CG2-CZ 4.42Å; V123-F212 HydrophobicContact CG1-CD2 4.45Å; V123-F212 HydrophobicContact CG1-CE2 3.84Å; V123-F212 HydrophobicContact CG1-CZ 4.32Å
124C96.8Very high92.4Very high5 Ų517.5 Ų17.53%0.0349%0.086CC..Hα-helixtrans-64.7-55.9-179.6-170.90000112.2F120 L121 S122 S127 L128 A174F120-C124 WeakPolarHBondContact O-CB 3.34Å; F120-C124 PolarHBondContact O-N 3.43Å; L121-C124 PolarHBondContact O-N 3.32Å; S122-C124 VanDerWaalsContact C-N 3.32Å; S122-C124 PolarHBondContact O-N 3.17Å; C124-S127 WeakPolarHBondContact O-CB 3.33Å; C124-S127 PolarHBondContact O-N 3Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.4Å; C124-L128 PolarHBondContact O-N 3.43Å; C124-A174 HydrophobicContact CB-CB 3.67Å
125F97.4Very high93Very high18 Ų1817.8 Ų17.88%0.0799%0.088CC..Hα-helixtrans-70.7-37.1-175.7-75.7-62.4000112.8V85 L88 A89 T92 L93 L121 S127 L128 A129V85-F125 HydrophobicContact CG1-CD1 4.13Å; L88-F125 HydrophobicContact CB-CE1 3.52Å; L88-F125 HydrophobicContact CB-CZ 3.72Å; L88-F125 HydrophobicContact CD1-CE1 4.4Å; A89-F125 HydrophobicContact CB-CB 3.93Å; A89-F125 HydrophobicContact CB-CD1 4.09Å; A89-F125 HydrophobicContact CB-CD2 4.3Å; A89-F125 HydrophobicContact CB-CG 3.87Å; T92-F125 VanDerWaalsContact OG1-CE2 3.31Å; T92-F125 WeakPolarHBondContact OG1-CE2 3.31Å; L93-F125 HydrophobicContact CB-CD2 4.07Å; L93-F125 HydrophobicContact CD2-CB 3.98Å; L93-F125 HydrophobicContact CD2-CD2 4.39Å; L121-F125 HydrophobicContact CB-CD2 4.09Å; L121-F125 HydrophobicContact CB-CE2 4.26Å; L121-F125 HydrophobicContact CD2-CD2 4.39Å; L121-F125 HydrophobicContact CD2-CE2 3.82Å; L121-F125 HydrophobicContact CG-CE2 4.46Å; L121-F125 WeakPolarHBondContact O-CB 3.32Å; L121-F125 VanDerWaalsContact O-CD2 3.29Å; L121-F125 WeakPolarHBondContact O-CD2 3.44Å; L121-F125 PolarHBondContact O-N 2.9Å; F125-S127 VanDerWaalsContact C-N 3.3Å; F125-S127 PolarHBondContact O-N 2.91Å; F125-L128 HydrophobicContact CD1-CD1 4Å; F125-L128 HydrophobicContact CE1-CD1 4.34Å; F125-L128 PolarHBondContact O-N 2.8Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 2.87Å
126V95.6Very high93.4Very high1 Ų117.6 Ų17.61%0.0069%0.087CC..Hα-helixtrans-58.8-46170.9169.50000110.1S122 A129 I130 F212 W300 Y331 F334S122-V126 WeakPolarHBondContact O-CB 3.41Å; S122-V126 WeakPolarHBondContact O-CG2 3.39Å; S122-V126 PolarHBondContact O-N 3.37Å; V126-A129 PolarHBondContact O-N 3.44Å; V126-I130 HydrophobicContact CG1-CD1 3.64Å; V126-I130 WeakPolarHBondContact O-CB 3.09Å; V126-I130 VanDerWaalsContact O-CG1 3.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.4Å; V126-I130 PolarHBondContact O-N 2.94Å; V126-F212 HydrophobicContact CG1-CZ 4.06Å; V126-W300 HydrophobicContact CB-CH2 4.2Å; V126-W300 HydrophobicContact CB-CZ3 4.33Å; V126-W300 HydrophobicContact CG1-CE3 4.34Å; V126-W300 HydrophobicContact CG1-CH2 3.69Å; V126-W300 HydrophobicContact CG1-CZ3 3.5Å; V126-W300 VanDerWaalsContact CG1-CZ3 3.5Å; V126-W300 HydrophobicContact CG2-CH2 3.92Å; V126-W300 HydrophobicContact CG2-CZ3 4Å; V126-Y331 HydrophobicContact CG2-CE1 4.28Å; V126-F334 HydrophobicContact CG2-CZ 4.31Å
127S96.7Very high93.7Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-61.1-47.4176.6-64.50000112.4V123 C124 F125 L131 F212 Y216V123-S127 WeakPolarHBondContact O-CB 3.49Å; V123-S127 PolarHBondContact O-N 3.45Å; V123-S127 PolarHBondContact O-OG 2.91Å; C124-S127 WeakPolarHBondContact O-CB 3.33Å; C124-S127 PolarHBondContact O-N 3Å; F125-S127 VanDerWaalsContact C-N 3.3Å; F125-S127 PolarHBondContact O-N 2.91Å; S127-L131 VanDerWaalsContact O-CB 3.3Å; S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 VanDerWaalsContact O-CG 3.22Å; S127-L131 WeakPolarHBondContact O-CG 3.29Å; S127-L131 PolarHBondContact O-N 3.41Å; S127-F212 WeakPolarHBondContact OG-CE2 3.4Å; S127-Y216 VanDerWaalsContact CB-CE1 3.42Å; S127-Y216 WeakPolarHBondContact OG-CE1 3.39Å
128L97.8Very high93.7Very high0 Ų012.5 Ų12.50%07%0.068CC..Hα-helixtrans-60.1-47179.5-74.3169.9000111.1V85 C124 F125 S132 V166 W167 A170V85-L128 HydrophobicContact CB-CB 4.46Å; V85-L128 HydrophobicContact CG1-CB 3.48Å; V85-L128 VanDerWaalsContact CG1-CB 3.48Å; V85-L128 HydrophobicContact CG1-CD1 4.33Å; V85-L128 HydrophobicContact CG2-CB 4.08Å; V85-L128 HydrophobicContact CG2-CD1 4.42Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.4Å; C124-L128 PolarHBondContact O-N 3.43Å; F125-L128 HydrophobicContact CD1-CD1 4Å; F125-L128 HydrophobicContact CE1-CD1 4.34Å; F125-L128 PolarHBondContact O-N 2.8Å; L128-S132 VanDerWaalsContact O-CB 3.25Å; L128-S132 WeakPolarHBondContact O-CB 3.45Å; L128-S132 PolarHBondContact O-N 2.87Å; L128-S132 PolarHBondContact O-OG 2.65Å; L128-V166 HydrophobicContact CD2-CG1 3.82Å; L128-W167 HydrophobicContact CD1-CD2 4.39Å; L128-W167 HydrophobicContact CD1-CE3 3.84Å; L128-W167 HydrophobicContact CD1-CH2 3.71Å; L128-W167 HydrophobicContact CD1-CZ2 4.27Å; L128-W167 HydrophobicContact CD1-CZ3 3.48Å; L128-W167 VanDerWaalsContact CD1-CZ3 3.48Å; L128-W167 HydrophobicContact CD2-CD2 3.69Å; L128-W167 HydrophobicContact CD2-CE3 3.8Å; L128-W167 HydrophobicContact CD2-CG 4.04Å; L128-W167 HydrophobicContact CD2-CZ3 4.28Å; L128-W167 HydrophobicContact CG-CE3 4.45Å; L128-A170 HydrophobicContact CD2-CB 3.59Å; L128-A170 HydrophobicContact CG-CB 3.6Å
129A96.3Very high93.6Very high1 Ų112.2 Ų12.21%0.0087%0.067CC..Hα-helixtrans-64.7-47.7-178.300000111.8V85 F125 V126 L131 S132 V133 F334V85-A129 HydrophobicContact CG1-CB 4.34Å; F125-A129 WeakPolarHBondContact O-CB 3.49Å; F125-A129 PolarHBondContact O-N 2.87Å; V126-A129 PolarHBondContact O-N 3.44Å; A129-L131 PolarHBondContact O-N 3.31Å; A129-S132 PolarHBondContact O-N 3.32Å; A129-V133 WeakPolarHBondContact O-CB 3.27Å; A129-V133 WeakPolarHBondContact O-CG2 3.48Å; A129-V133 PolarHBondContact O-N 2.94Å; A129-F334 HydrophobicContact CB-CD1 4.11Å; A129-F334 HydrophobicContact CB-CE1 3.57Å
130I96.1Very high93.4Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-62.7-43.8179.5-70.6171.7000111.6V126 S132 V133 S134 Y216 P220 F296 W300 F304V126-I130 HydrophobicContact CG1-CD1 3.64Å; V126-I130 WeakPolarHBondContact O-CB 3.09Å; V126-I130 VanDerWaalsContact O-CG1 3.29Å; V126-I130 WeakPolarHBondContact O-CG1 3.4Å; V126-I130 PolarHBondContact O-N 2.94Å; I130-S132 VanDerWaalsContact C-N 3.33Å; I130-V133 PolarHBondContact O-N 3.21Å; I130-S134 WeakPolarHBondContact O-CB 3.33Å; I130-S134 PolarHBondContact O-N 2.85Å; I130-S134 PolarHBondContact O-OG 2.97Å; I130-Y216 HydrophobicContact CB-CD1 4.28Å; I130-Y216 HydrophobicContact CG2-CD1 4.03Å; I130-Y216 WeakPolarHBondContact CG2-O 3.34Å; I130-P220 HydrophobicContact CG2-CB 4.29Å; I130-P220 HydrophobicContact CG2-CG 3.7Å; I130-F296 HydrophobicContact CG1-CE2 4.25Å; I130-F296 HydrophobicContact CG2-CE2 4.19Å; I130-F296 HydrophobicContact CG2-CZ 4.5Å; I130-W300 HydrophobicContact CD1-CD2 3.99Å; I130-W300 HydrophobicContact CD1-CE3 4.1Å; I130-W300 HydrophobicContact CD1-CH2 4.33Å; I130-W300 HydrophobicContact CD1-CZ2 4.19Å; I130-W300 HydrophobicContact CD1-CZ3 4.28Å; I130-W300 HydrophobicContact CG1-CD2 4.3Å; I130-W300 HydrophobicContact CG1-CH2 4.47Å; I130-W300 HydrophobicContact CG1-CZ2 3.93Å; I130-F304 HydrophobicContact CD1-CE2 3.91Å; I130-F304 HydrophobicContact CD1-CZ 3.82Å
131L96.1Very high92.9Very high29 Ų2915.1 Ų15.115%0.1528%0.076CC..Hα-helixtrans-67.4-35.9177.8-71.8173.6000111.8S127 A129 S134 A135 V166 K169 Y216S127-L131 VanDerWaalsContact O-CB 3.3Å; S127-L131 WeakPolarHBondContact O-CB 3.46Å; S127-L131 VanDerWaalsContact O-CG 3.22Å; S127-L131 WeakPolarHBondContact O-CG 3.29Å; S127-L131 PolarHBondContact O-N 3.41Å; A129-L131 PolarHBondContact O-N 3.31Å; L131-S134 WeakPolarHBondContact O-CB 3.35Å; L131-S134 PolarHBondContact O-N 3.46Å; L131-A135 WeakPolarHBondContact O-CB 3.24Å; L131-A135 PolarHBondContact O-N 3.28Å; L131-V166 HydrophobicContact CB-CB 4.41Å; L131-V166 HydrophobicContact CB-CG1 3.76Å; L131-V166 HydrophobicContact CB-CG2 4.01Å; L131-V166 HydrophobicContact CD1-CG1 4.24Å; L131-K169 HydrophobicContact CD1-CB 3.98Å; L131-Y216 HydrophobicContact CD1-CE1 3.74Å; L131-Y216 HydrophobicContact CD2-CE1 4.13Å; L131-Y216 HydrophobicContact CG-CD1 4.25Å; L131-Y216 HydrophobicContact CG-CE1 3.69Å
132S95.6Very high92.3Very high1 Ų118.4 Ų18.41%0.0079%0.087CC..Hα-helixtrans-66.3-44.8175.3-57.20000111.2H81 L128 A129 I130 S134 A135 I136H81-S132 PolarHBondContact CE1-OG 3.09Å; H81-S132 PolarHBondContact ND1-OG 3.4Å; H81-S132 VanDerWaalsContact ND1-OG 3.14Å; L128-S132 VanDerWaalsContact O-CB 3.25Å; L128-S132 WeakPolarHBondContact O-CB 3.45Å; L128-S132 PolarHBondContact O-N 2.87Å; L128-S132 PolarHBondContact O-OG 2.65Å; A129-S132 PolarHBondContact O-N 3.32Å; I130-S132 VanDerWaalsContact C-N 3.33Å; S132-S134 VanDerWaalsContact C-N 3.29Å; S132-S134 PolarHBondContact O-N 3.48Å; S132-A135 WeakPolarHBondContact O-CB 3.38Å; S132-A135 PolarHBondContact O-N 3.42Å; S132-I136 WeakPolarHBondContact O-CG1 3.33Å; S132-I136 PolarHBondContact O-N 3.04Å
133V93.3Very high91.6Very high4 Ų424.3 Ų24.32%0.02411%0.11CC..Hα-helixtrans-58.3-42.7171.51640000111.2L82 A129 I130 I136 N137 F296 Y341L82-V133 HydrophobicContact CD1-CG2 4.08Å; L82-V133 HydrophobicContact CD2-CG2 4.16Å; A129-V133 WeakPolarHBondContact O-CB 3.27Å; A129-V133 WeakPolarHBondContact O-CG2 3.48Å; A129-V133 PolarHBondContact O-N 2.94Å; I130-V133 PolarHBondContact O-N 3.21Å; V133-I136 PolarHBondContact O-N 3.19Å; V133-N137 PolarHBondContact O-N 3.05Å; V133-N137 PolarHBondContact O-ND2 3.19Å; V133-F296 HydrophobicContact CG1-CD2 4.3Å; V133-Y341 WeakPolarHBondContact CG1-OH 3.19Å; V133-Y341 HydrophobicContact CG2-CE2 4.2Å
134S93.8Very high90.6Very high13 Ų1326.3 Ų26.39%0.09112%0.121CC..Hα-helixtrans-63.5-43176.8-59.60000111.5I130 L131 S132 I136 N137 V138I130-S134 WeakPolarHBondContact O-CB 3.33Å; I130-S134 PolarHBondContact O-N 2.85Å; I130-S134 PolarHBondContact O-OG 2.97Å; L131-S134 WeakPolarHBondContact O-CB 3.35Å; L131-S134 PolarHBondContact O-N 3.46Å; S132-S134 VanDerWaalsContact C-N 3.29Å; S132-S134 PolarHBondContact O-N 3.48Å; S134-I136 VanDerWaalsContact C-N 3.35Å; S134-I136 PolarHBondContact O-N 2.94Å; S134-N137 PolarHBondContact O-N 2.92Å; S134-N137 VanDerWaalsContact O-N 3.16Å; S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.27Å
135A93.4Very high89.3Confident13 Ų1327.9 Ų27.911%0.10713%0.131CC..Hα-helixtrans-61.4-41.8175.500000111.9F78 L131 S132 N137 V138 E139 V162F78-A135 HydrophobicContact CD1-CB 4.06Å; F78-A135 HydrophobicContact CE1-CB 4.06Å; F78-A135 HydrophobicContact CZ-CB 4.46Å; L131-A135 WeakPolarHBondContact O-CB 3.24Å; L131-A135 PolarHBondContact O-N 3.28Å; S132-A135 WeakPolarHBondContact O-CB 3.38Å; S132-A135 PolarHBondContact O-N 3.42Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.03Å; A135-V138 PolarHBondContact O-N 3.04Å; A135-E139 WeakPolarHBondContact O-CB 3.29Å; A135-E139 PolarHBondContact O-N 3.22Å; A135-V162 HydrophobicContact CB-CG1 4.2Å
136I91.3Very high88.1Confident1 Ų130.1 Ų30.11%0.00514%0.142CC..Hα-helixtrans-60.7-44.2173.3-65164.8000110.3F78 V79 L82 S132 V133 S134 V138 E139 R140 Y341F78-I136 HydrophobicContact CB-CD1 4.48Å; F78-I136 HydrophobicContact CB-CG1 3.62Å; V79-I136 HydrophobicContact CG2-CD1 4.31Å; L82-I136 HydrophobicContact CB-CD1 4.18Å; L82-I136 HydrophobicContact CD2-CD1 3.67Å; S132-I136 WeakPolarHBondContact O-CG1 3.33Å; S132-I136 PolarHBondContact O-N 3.04Å; V133-I136 PolarHBondContact O-N 3.19Å; S134-I136 VanDerWaalsContact C-N 3.35Å; S134-I136 PolarHBondContact O-N 2.94Å; I136-V138 VanDerWaalsContact C-N 3.34Å; I136-V138 PolarHBondContact O-N 3.04Å; I136-E139 WeakPolarHBondContact O-CB 3.33Å; I136-E139 PolarHBondContact O-N 2.73Å; I136-R140 HydrophobicContact CG2-CG 4.31Å; I136-R140 WeakPolarHBondContact O-CB 3.23Å; I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 2.86Å; I136-Y341 HydrophobicContact CB-CE1 4.43Å; I136-Y341 HydrophobicContact CD1-CD1 4.2Å; I136-Y341 HydrophobicContact CD1-CE1 4.23Å; I136-Y341 HydrophobicContact CG2-CD1 3.97Å; I136-Y341 HydrophobicContact CG2-CE1 3.72Å
137N89Confident86.8Confident2 Ų233.5 Ų33.51%0.01116%0.164CC..Hα-helixtrans-63.9-38.1178-77.2-62.7000112.5V133 S134 A135 R140 Y141 L223V133-N137 PolarHBondContact O-N 3.05Å; V133-N137 PolarHBondContact O-ND2 3.19Å; S134-N137 PolarHBondContact O-N 2.92Å; S134-N137 VanDerWaalsContact O-N 3.16Å; A135-N137 VanDerWaalsContact C-N 3.34Å; A135-N137 PolarHBondContact O-N 3.03Å; N137-R140 PolarHBondContact O-N 3.16Å; N137-Y141 WeakPolarHBondContact O-CB 3.44Å; N137-Y141 PolarHBondContact O-N 3.24Å; N137-L223 HydrophobicContact CB-CD2 3.38Å
138V89.2Confident85.2Confident55 Ų5540.9 Ų40.933%0.33320%0.2SC..Hα-helixtrans-65-45.1173.3174.60000111.3S134 A135 I136 R140 Y141 Y142 L223S134-V138 WeakPolarHBondContact O-CG2 3.34Å; S134-V138 PolarHBondContact O-N 3.27Å; A135-V138 PolarHBondContact O-N 3.04Å; I136-V138 VanDerWaalsContact C-N 3.34Å; I136-V138 PolarHBondContact O-N 3.04Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 3.19Å; V138-Y141 WeakPolarHBondContact O-CB 3.31Å; V138-Y141 PolarHBondContact O-N 2.82Å; V138-Y142 HydrophobicContact CG1-CD2 3.77Å; V138-Y142 HydrophobicContact CG1-CE2 3.63Å; V138-Y142 VanDerWaalsContact O-CD2 3.28Å; V138-Y142 WeakPolarHBondContact O-CD2 3.27Å; V138-Y142 PolarHBondContact O-N 3.27Å; V138-L223 HydrophobicContact CG2-CD1 3.65Å; V138-L223 HydrophobicContact CG2-CD2 4.3Å; V138-L223 HydrophobicContact CG2-CG 4.39Å
139E86.8Confident83.6Confident12 Ų1248.1 Ų48.16%0.05623%0.227CC..Hα-helixtrans-56.1-47.2175-176.8-171-137.200110.5F78 A135 I136 Y141 Y142 Y143 Y150 M154F78-E139 HydrophobicContact CD2-CB 4.09Å; F78-E139 HydrophobicContact CD2-CG 4.24Å; F78-E139 HydrophobicContact CE2-CB 4.09Å; F78-E139 HydrophobicContact CE2-CG 4.32Å; A135-E139 WeakPolarHBondContact O-CB 3.29Å; A135-E139 PolarHBondContact O-N 3.22Å; I136-E139 WeakPolarHBondContact O-CB 3.33Å; I136-E139 PolarHBondContact O-N 2.73Å; E139-Y141 PolarHBondContact O-N 3.04Å; E139-Y142 PolarHBondContact O-N 3.16Å; E139-Y143 WeakPolarHBondContact O-CB 3.49Å; E139-Y143 PolarHBondContact O-N 2.93Å; E139-Y150 HydrophobicContact CG-CE2 3.8Å; E139-Y150 WeakPolarHBondContact CG-OH 3.38Å; E139-Y150 PolarHBondContact OE1-OH 3.28Å; E139-Y150 VanDerWaalsContact OE1-OH 3.06Å; E139-M154 HydrophobicContact CG-CE 4.22Å
140R81.9Confident82.3Confident65 Ų6550.3 Ų50.325%0.24524%0.235CC..Hα-helixtrans-63.2-39.8177.6-68.5-63.3-179.8-176.30.9112.7I136 N137 V138 Y143 V144I136-R140 HydrophobicContact CG2-CG 4.31Å; I136-R140 WeakPolarHBondContact O-CB 3.23Å; I136-R140 WeakPolarHBondContact O-CG 3.31Å; I136-R140 PolarHBondContact O-N 2.86Å; N137-R140 PolarHBondContact O-N 3.16Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 3.19Å; R140-Y143 PolarHBondContact O-N 3.25Å; R140-V144 WeakPolarHBondContact O-CB 3.38Å; R140-V144 VanDerWaalsContact O-CG2 3.32Å; R140-V144 WeakPolarHBondContact O-CG2 3.35Å; R140-V144 PolarHBondContact O-N 2.85Å
141Y82.6Confident81Confident64 Ų6458 Ų5825%0.25127%0.271SS..Hα-helixtrans-57.2-51.4174.3174.3-98.8000111.6N137 V138 E139 Y143 V144 V145 V227N137-Y141 WeakPolarHBondContact O-CB 3.44Å; N137-Y141 PolarHBondContact O-N 3.24Å; V138-Y141 WeakPolarHBondContact O-CB 3.31Å; V138-Y141 PolarHBondContact O-N 2.82Å; E139-Y141 PolarHBondContact O-N 3.04Å; Y141-Y143 VanDerWaalsContact C-N 3.34Å; Y141-Y143 PolarHBondContact O-N 2.94Å; Y141-V144 PolarHBondContact O-N 2.96Å; Y141-V145 HydrophobicContact CD2-CG2 3.76Å; Y141-V145 HydrophobicContact CE2-CB 4.24Å; Y141-V145 HydrophobicContact CE2-CG1 4.47Å; Y141-V145 HydrophobicContact CE2-CG2 3.6Å; Y141-V145 HydrophobicContact CG-CG2 4.44Å; Y141-V145 WeakPolarHBondContact O-CB 3.2Å; Y141-V145 WeakPolarHBondContact O-CG2 3.41Å; Y141-V145 PolarHBondContact O-N 3.14Å; Y141-V227 HydrophobicContact CD2-CG2 4.01Å; Y141-V227 HydrophobicContact CG-CG2 4.18Å
142Y82.1Confident79.4Confident98 Ų9862.3 Ų62.338%0.38430%0.299SS..Hα-helixtrans-64.4-39.5179.6-79.8-70.3000112.2V138 E139 V144 H146V138-Y142 HydrophobicContact CG1-CD2 3.77Å; V138-Y142 HydrophobicContact CG1-CE2 3.63Å; V138-Y142 VanDerWaalsContact O-CD2 3.28Å; V138-Y142 WeakPolarHBondContact O-CD2 3.27Å; V138-Y142 PolarHBondContact O-N 3.27Å; E139-Y142 PolarHBondContact O-N 3.16Å; Y142-V144 PolarHBondContact O-N 2.92Å; Y142-H146 CarbonylContact O-C 3.12Å; Y142-H146 WeakPolarHBondContact O-CA 3.21Å; Y142-H146 PolarHBondContact O-N 3.14Å
143Y78.6Confident78Confident128 Ų12869.7 Ų69.750%0.50233%0.327SS..Hα-helixtrans-60.9-42.7176.2-179.1-98000112.8E139 R140 Y141 P147 Y150E139-Y143 WeakPolarHBondContact O-CB 3.49Å; E139-Y143 PolarHBondContact O-N 2.93Å; R140-Y143 PolarHBondContact O-N 3.25Å; Y141-Y143 VanDerWaalsContact C-N 3.34Å; Y141-Y143 PolarHBondContact O-N 2.94Å; Y143-P147 WeakPolarHBondContact O-CA 3.48Å; Y143-Y150 AromaticContact CD2-CD1 3.88Å; Y143-Y150 HydrophobicContact CD2-CD1 3.88Å; Y143-Y150 HydrophobicContact CD2-CE1 4.01Å; Y143-Y150 HydrophobicContact CD2-CG 4.38Å
144V71.3Confident77.1Confident42 Ų4272.3 Ų72.326%0.25534%0.339SS..Hα-helixtrans-81.3-47.3-176171.50000112.3R140 Y141 Y142 M231R140-V144 WeakPolarHBondContact O-CB 3.38Å; R140-V144 VanDerWaalsContact O-CG2 3.32Å; R140-V144 WeakPolarHBondContact O-CG2 3.35Å; R140-V144 PolarHBondContact O-N 2.85Å; Y141-V144 PolarHBondContact O-N 2.96Å; Y142-V144 PolarHBondContact O-N 2.92Å; V144-M231 HydrophobicContact CG1-CB 4.12Å; V144-M231 HydrophobicContact CG1-CG 3.86Å
145V70.6Confident76.8Confident38 Ų3875.1 Ų75.123%0.2336%0.356CS..Hα-helixtrans-82.5-32.5-172.4-179.30000111.4Y141Y141-V145 HydrophobicContact CD2-CG2 3.76Å; Y141-V145 HydrophobicContact CE2-CB 4.24Å; Y141-V145 HydrophobicContact CE2-CG1 4.47Å; Y141-V145 HydrophobicContact CE2-CG2 3.6Å; Y141-V145 HydrophobicContact CG-CG2 4.44Å; Y141-V145 WeakPolarHBondContact O-CB 3.2Å; Y141-V145 WeakPolarHBondContact O-CG2 3.41Å; Y141-V145 PolarHBondContact O-N 3.14Å
146H71.7Confident76.4Confident66 Ų6681.5 Ų81.531%0.30639%0.387SS..  trans-134.260.6-176.2-61.6-48.8000112.4Y142 M148 R149 Y150Y142-H146 CarbonylContact O-C 3.12Å; Y142-H146 WeakPolarHBondContact O-CA 3.21Å; Y142-H146 PolarHBondContact O-N 3.14Å; H146-M148 VanDerWaalsContact C-N 3.32Å; H146-M148 PolarHBondContact O-N 3.36Å; H146-R149 HydrophobicContact CB-CB 4.18Å; H146-R149 PolarHBondContact O-N 3.4Å; H146-Y150 PolarHBondContact O-N 3.09Å; H146-Y150 VanDerWaalsContact O-N 3.07Å
147P69.1Low76.3Confident72 Ų7291.9 Ų91.947%0.46843%0.426SS..Hα-helixtrans-55.3-43.3-17321.2-33.1000113Y143 R149 Y150Y143-P147 WeakPolarHBondContact O-CA 3.48Å; P147-R149 VanDerWaalsContact C-N 3.34Å; P147-R149 PolarHBondContact O-N 2.87Å; P147-Y150 WeakPolarHBondContact O-CB 3.3Å; P147-Y150 PolarHBondContact O-N 3.31Å
148M62.1Low76.3Confident154 Ų15495.7 Ų95.776%0.75945%0.447SS*.Hα-helixtrans-69.8-25.6-179.5-63.7-61.4-66.700113.9H146H146-M148 VanDerWaalsContact C-N 3.32Å; H146-M148 PolarHBondContact O-N 3.36Å
149R65.2Low76.4Confident153 Ų15393.6 Ų93.658%0.57743%0.434SS*.Hα-helixtrans-87.5-22.6177.3-66.2-174.2177.7163.7-1.4112.1H146 P147 R153H146-R149 HydrophobicContact CB-CB 4.18Å; H146-R149 PolarHBondContact O-N 3.4Å; P147-R149 VanDerWaalsContact C-N 3.34Å; P147-R149 PolarHBondContact O-N 2.87Å; R149-R153 VanDerWaalsContact O-CB 3.3Å; R149-R153 WeakPolarHBondContact O-CB 3.22Å; R149-R153 WeakPolarHBondContact O-CG 3.36Å; R149-R153 PolarHBondContact O-N 3.33Å
150Y68.9Low76.7Confident46 Ų4695.5 Ų95.518%0.1845%0.451CS..Hα-helixtrans-63-48.1178.7178.8-97.9000111.6E139 Y143 H146 P147 V152 R153 M154E139-Y150 HydrophobicContact CG-CE2 3.8Å; E139-Y150 WeakPolarHBondContact CG-OH 3.38Å; E139-Y150 PolarHBondContact OE1-OH 3.28Å; E139-Y150 VanDerWaalsContact OE1-OH 3.06Å; Y143-Y150 AromaticContact CD2-CD1 3.88Å; Y143-Y150 HydrophobicContact CD2-CD1 3.88Å; Y143-Y150 HydrophobicContact CD2-CE1 4.01Å; Y143-Y150 HydrophobicContact CD2-CG 4.38Å; H146-Y150 PolarHBondContact O-N 3.09Å; H146-Y150 VanDerWaalsContact O-N 3.07Å; P147-Y150 WeakPolarHBondContact O-CB 3.3Å; P147-Y150 PolarHBondContact O-N 3.31Å; Y150-V152 VanDerWaalsContact C-N 3.25Å; Y150-V152 PolarHBondContact O-N 2.83Å; Y150-R153 PolarHBondContact O-N 3.17Å; Y150-M154 HydrophobicContact CE2-CB 4.24Å; Y150-M154 HydrophobicContact CE2-CG 4.09Å; Y150-M154 HydrophobicContact CE2-SD 4.25Å; Y150-M154 VanDerWaalsContact O-CB 3.25Å; Y150-M154 WeakPolarHBondContact O-CB 3.41Å; Y150-M154 PolarHBondContact O-N 2.88Å
151E68.8Low77.3Confident162 Ų16296.2 Ų96.276%0.75747%0.466SS*.Hα-helixtrans-62.4-31.4-179-66.3-174.1168.600113.2
152V62.6Low78Confident120 Ų12095.6 Ų95.673%0.72747%0.469SS*.Hα-helixtrans-89.2-27.4-178.4-172.10000112.6Y150Y150-V152 VanDerWaalsContact C-N 3.25Å; Y150-V152 PolarHBondContact O-N 2.83Å
153R66.5Low78.6Confident156 Ų15692.4 Ų92.459%0.58946%0.459SS*.Hα-helixtrans-93.2-26-177.6-78.4-164173.7176.2-2.1114.8R149 Y150 T155R149-R153 VanDerWaalsContact O-CB 3.3Å; R149-R153 WeakPolarHBondContact O-CB 3.22Å; R149-R153 WeakPolarHBondContact O-CG 3.36Å; R149-R153 PolarHBondContact O-N 3.33Å; Y150-R153 PolarHBondContact O-N 3.17Å; R153-T155 VanDerWaalsContact C-N 3.3Å; R153-T155 PolarHBondContact O-N 2.98Å
154M74.2Confident79.5Confident58 Ų5890.4 Ų90.429%0.28646%0.46SS..  trans-78.580.1-172.2-16463168.400111.1F78 E139 Y150 V159F78-M154 HydrophobicContact CD2-CE 4.25Å; F78-M154 HydrophobicContact CE2-CE 3.44Å; F78-M154 VanDerWaalsContact CE2-CE 3.44Å; F78-M154 HydrophobicContact CZ-CE 4.13Å; E139-M154 HydrophobicContact CG-CE 4.22Å; Y150-M154 HydrophobicContact CE2-CB 4.24Å; Y150-M154 HydrophobicContact CE2-CG 4.09Å; Y150-M154 HydrophobicContact CE2-SD 4.25Å; Y150-M154 VanDerWaalsContact O-CB 3.25Å; Y150-M154 WeakPolarHBondContact O-CB 3.41Å; Y150-M154 PolarHBondContact O-N 2.88Å; M154-V159 HydrophobicContact CE-CG2 3.32Å; M154-V159 HydrophobicContact CG-CG2 4.47Å; M154-V159 HydrophobicContact SD-CG2 3.95Å
155T86.1Confident80.7Confident72 Ų7289.8 Ų89.844%0.44246%0.461SS..  trans-90149.3176.865.30000111.3R153 R157 L158 V159R153-T155 VanDerWaalsContact C-N 3.3Å; R153-T155 PolarHBondContact O-N 2.98Å; T155-R157 PolarHBondContact O-N 3.26Å; T155-L158 PolarHBondContact O-N 3.12Å; T155-L158 VanDerWaalsContact O-N 3.09Å; T155-L158 PolarHBondContact OG1-N 3.32Å; T155-V159 PolarHBondContact O-N 3.42Å
156L85.6Confident82Confident148 Ų14888.4 Ų88.478%0.77545%0.453SS*.Hα-helixtrans-55.7-33.4175.1-69.6171.2000112.6V159 A160L156-V159 PolarHBondContact O-N 3.15Å; L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.28Å
157R89.1Confident83.3Confident218 Ų21889.3 Ų89.382%0.82345%0.454SS*.Hα-helixtrans-65.9-41.7177.8-61-176.5-161.9169.65.1112.1T155 S161T155-R157 PolarHBondContact O-N 3.26Å; R157-S161 VanDerWaalsContact O-CB 3.29Å; R157-S161 WeakPolarHBondContact O-CB 3.1Å; R157-S161 PolarHBondContact O-N 3.49Å
158L90.6Very high84.6Confident83 Ų8391 Ų9144%0.43546%0.458SS..Hα-helixtrans-63.7-46.1176178.262.7000110.7T155 S161 V162T155-L158 PolarHBondContact O-N 3.12Å; T155-L158 VanDerWaalsContact O-N 3.09Å; T155-L158 PolarHBondContact OG1-N 3.32Å; L158-S161 PolarHBondContact O-N 3.21Å; L158-V162 HydrophobicContact CD1-CG2 4.36Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 2.93Å
159V90.9Very high86.2Confident11 Ų1189.9 Ų89.97%0.06745%0.449CS..Hα-helixtrans-59-50.5177.61790000110.9V77 F78 M154 T155 L156 S161 V162 L163V77-V159 HydrophobicContact CB-CG1 4.04Å; V77-V159 HydrophobicContact CG1-CG1 3.82Å; F78-V159 HydrophobicContact CE1-CG1 4.1Å; F78-V159 HydrophobicContact CZ-CG1 4.16Å; F78-V159 HydrophobicContact CZ-CG2 4.42Å; M154-V159 HydrophobicContact CE-CG2 3.32Å; M154-V159 HydrophobicContact CG-CG2 4.47Å; M154-V159 HydrophobicContact SD-CG2 3.95Å; T155-V159 PolarHBondContact O-N 3.42Å; L156-V159 PolarHBondContact O-N 3.15Å; V159-S161 VanDerWaalsContact C-N 3.31Å; V159-S161 PolarHBondContact O-N 2.91Å; V159-V162 PolarHBondContact O-N 3.31Å; V159-L163 HydrophobicContact CG1-CD1 4.31Å; V159-L163 HydrophobicContact CG1-CG 4.47Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.39Å
160A93.1Very high87.8Confident51 Ų5182.6 Ų82.642%0.42142%0.421SS..Hα-helixtrans-58.5-43.4177.600000111.9L156 V162 L163 V164L156-A160 WeakPolarHBondContact O-CB 3.38Å; L156-A160 PolarHBondContact O-N 3.28Å; A160-V162 PolarHBondContact O-N 3.26Å; A160-L163 PolarHBondContact O-N 2.89Å; A160-V164 WeakPolarHBondContact O-CG2 3.36Å; A160-V164 PolarHBondContact O-N 3.42Å
161S94.6Very high89.1Confident80 Ų8084.1 Ų84.156%0.55943%0.432SS*.Hα-helixtrans-61.6-42.6176.7178.40000112.5R157 L158 V159 G165R157-S161 VanDerWaalsContact O-CB 3.29Å; R157-S161 WeakPolarHBondContact O-CB 3.1Å; R157-S161 PolarHBondContact O-N 3.49Å; L158-S161 PolarHBondContact O-N 3.21Å; V159-S161 VanDerWaalsContact C-N 3.31Å; V159-S161 PolarHBondContact O-N 2.91Å; S161-G165 PolarHBondContact O-N 2.95Å
162V95.6Very high90.3Very high52 Ų5279 Ų7932%0.31542%0.417SS..Hα-helixtrans-61.8-48.1175.31720000110.4F78 A135 L158 V159 A160 V164 G165 V166F78-V162 HydrophobicContact CE1-CB 4.21Å; F78-V162 HydrophobicContact CE1-CG1 3.79Å; F78-V162 HydrophobicContact CZ-CB 4.36Å; F78-V162 HydrophobicContact CZ-CG1 4.11Å; A135-V162 HydrophobicContact CB-CG1 4.2Å; L158-V162 HydrophobicContact CD1-CG2 4.36Å; L158-V162 WeakPolarHBondContact O-CG2 3.25Å; L158-V162 PolarHBondContact O-N 2.93Å; V159-V162 PolarHBondContact O-N 3.31Å; A160-V162 PolarHBondContact O-N 3.26Å; V162-V164 PolarHBondContact O-N 2.92Å; V162-G165 PolarHBondContact O-N 3.3Å; V162-G165 VanDerWaalsContact O-N 3.17Å; V162-V166 HydrophobicContact CG1-CG2 4.47Å; V162-V166 WeakPolarHBondContact O-CG2 3.49Å; V162-V166 PolarHBondContact O-N 3.43Å
163L96.1Very high91.8Very high31 Ų3174.6 Ų74.616%0.16239%0.389CS..Hα-helixtrans-60.7-45.6179.6-67.1-177.5000112.2V77 F78 H81 V159 A160 G165 V166 W167V77-L163 HydrophobicContact CG1-CD1 4.08Å; F78-L163 HydrophobicContact CD1-CD2 3.77Å; F78-L163 HydrophobicContact CE1-CD2 3.97Å; F78-L163 HydrophobicContact CE1-CG 4.36Å; H81-L163 HydrophobicContact CB-CD1 4.48Å; H81-L163 HydrophobicContact CB-CD2 3.92Å; V159-L163 HydrophobicContact CG1-CD1 4.31Å; V159-L163 HydrophobicContact CG1-CG 4.47Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.39Å; A160-L163 PolarHBondContact O-N 2.89Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 3.31Å; L163-V166 WeakPolarHBondContact O-CB 3.43Å; L163-V166 PolarHBondContact O-N 2.97Å; L163-V166 VanDerWaalsContact O-N 3.15Å; L163-W167 VanDerWaalsContact O-CD1 3.25Å; L163-W167 PolarHBondContact O-N 3.41Å; L163-W167 VanDerWaalsContact O-N 3.13Å
164V97.1Very high93Very high86 Ų8667.2 Ų67.252%0.52136%0.361SS..Hα-helixtrans-59.4-43.91751700000110.7A160 V162 V166 W167 I168A160-V164 WeakPolarHBondContact O-CG2 3.36Å; A160-V164 PolarHBondContact O-N 3.42Å; V162-V164 PolarHBondContact O-N 2.92Å; V164-V166 VanDerWaalsContact C-N 3.31Å; V164-V166 PolarHBondContact O-N 3.48Å; V164-W167 PolarHBondContact O-N 2.78Å; V164-I168 HydrophobicContact CG1-CD1 3.69Å; V164-I168 HydrophobicContact CG1-CG1 4.36Å; V164-I168 WeakPolarHBondContact O-CG1 3.24Å; V164-I168 PolarHBondContact O-N 3.34Å
165G97.3Very high93.8Very high28 Ų2866.4 Ų66.429%0.28936%0.361SS..Hα-helixtrans-60.9-36.8175.400000113.5S161 V162 L163 K169S161-G165 PolarHBondContact O-N 2.95Å; V162-G165 PolarHBondContact O-N 3.3Å; V162-G165 VanDerWaalsContact O-N 3.17Å; L163-G165 VanDerWaalsContact C-N 3.3Å; L163-G165 PolarHBondContact O-N 3.31Å; G165-K169 WeakPolarHBondContact O-CB 3.47Å; G165-K169 WeakPolarHBondContact O-CG 3.25Å; G165-K169 PolarHBondContact O-N 3.15Å
166V97.5Very high93.9Very high10 Ų1064.5 Ų64.56%0.06135%0.35CS..Hα-helixtrans-61.9-47.8175.4167.40000110.9L128 L131 V162 L163 V164 K169 A170L128-V166 HydrophobicContact CD2-CG1 3.82Å; L131-V166 HydrophobicContact CB-CB 4.41Å; L131-V166 HydrophobicContact CB-CG1 3.76Å; L131-V166 HydrophobicContact CB-CG2 4.01Å; L131-V166 HydrophobicContact CD1-CG1 4.24Å; V162-V166 HydrophobicContact CG1-CG2 4.47Å; V162-V166 WeakPolarHBondContact O-CG2 3.49Å; V162-V166 PolarHBondContact O-N 3.43Å; L163-V166 WeakPolarHBondContact O-CB 3.43Å; L163-V166 PolarHBondContact O-N 2.97Å; L163-V166 VanDerWaalsContact O-N 3.15Å; V164-V166 VanDerWaalsContact C-N 3.31Å; V164-V166 PolarHBondContact O-N 3.48Å; V166-K169 PolarHBondContact O-N 2.89Å; V166-A170 WeakPolarHBondContact O-CB 3.31Å; V166-A170 PolarHBondContact O-N 3.47Å
167W97.8Very high93.6Very high85 Ų8558.4 Ų58.432%0.32232%0.319SS..Hα-helixtrans-63.2-47177.3-78.499000112.8H81 V85 L128 L163 V164 K169 A170 L171H81-W167 AromaticContact CD2-NE1 3.91Å; H81-W167 AromaticContact NE2-CD1 4Å; H81-W167 AromaticContact NE2-CE2 3.8Å; H81-W167 AromaticContact NE2-NE1 3.17Å; H81-W167 PolarHBondContact NE2-NE1 3.45Å; H81-W167 VanDerWaalsContact NE2-NE1 3.17Å; V85-W167 HydrophobicContact CG2-CZ2 4.45Å; L128-W167 HydrophobicContact CD1-CD2 4.39Å; L128-W167 HydrophobicContact CD1-CE3 3.84Å; L128-W167 HydrophobicContact CD1-CH2 3.71Å; L128-W167 HydrophobicContact CD1-CZ2 4.27Å; L128-W167 HydrophobicContact CD1-CZ3 3.48Å; L128-W167 VanDerWaalsContact CD1-CZ3 3.48Å; L128-W167 HydrophobicContact CD2-CD2 3.69Å; L128-W167 HydrophobicContact CD2-CE3 3.8Å; L128-W167 HydrophobicContact CD2-CG 4.04Å; L128-W167 HydrophobicContact CD2-CZ3 4.28Å; L128-W167 HydrophobicContact CG-CE3 4.45Å; L163-W167 VanDerWaalsContact O-CD1 3.25Å; L163-W167 PolarHBondContact O-N 3.41Å; L163-W167 VanDerWaalsContact O-N 3.13Å; V164-W167 PolarHBondContact O-N 2.78Å; W167-K169 VanDerWaalsContact C-N 3.32Å; W167-K169 PolarHBondContact O-N 2.97Å; W167-A170 PolarHBondContact O-N 2.94Å; W167-L171 WeakPolarHBondContact O-CB 3.37Å; W167-L171 WeakPolarHBondContact O-CG 3.25Å; W167-L171 PolarHBondContact O-N 2.87Å
168I97.8Very high93.2Very high108 Ų10850 Ų5055%0.55429%0.291SS*.Hα-helixtrans-58.1-47.3179.4-69.1169.9000110.4V164 A172V164-I168 HydrophobicContact CG1-CD1 3.69Å; V164-I168 HydrophobicContact CG1-CG1 4.36Å; V164-I168 WeakPolarHBondContact O-CG1 3.24Å; V164-I168 PolarHBondContact O-N 3.34Å; I168-A172 WeakPolarHBondContact O-CB 3.37Å; I168-A172 PolarHBondContact O-N 2.79Å
169K95.5Very high92.6Very high130 Ų13051.7 Ų51.757%0.56530%0.3SS*.Hα-helixtrans-63.5-44.1178.8-74.4-178.8178.3-171.40112.3L131 G165 V166 W167 A172 M173L131-K169 HydrophobicContact CD1-CB 3.98Å; G165-K169 WeakPolarHBondContact O-CB 3.47Å; G165-K169 WeakPolarHBondContact O-CG 3.25Å; G165-K169 PolarHBondContact O-N 3.15Å; V166-K169 PolarHBondContact O-N 2.89Å; W167-K169 VanDerWaalsContact C-N 3.32Å; W167-K169 PolarHBondContact O-N 2.97Å; K169-A172 PolarHBondContact O-N 2.8Å; K169-M173 WeakPolarHBondContact O-CG 3.31Å; K169-M173 PolarHBondContact O-N 2.81Å
170A97.3Very high91.5Very high0 Ų051.3 Ų51.30%030%0.299CS..Hα-helixtrans-63.7-46179.400000112.2L128 V166 W167 M173 A174L128-A170 HydrophobicContact CD2-CB 3.59Å; L128-A170 HydrophobicContact CG-CB 3.6Å; V166-A170 WeakPolarHBondContact O-CB 3.31Å; V166-A170 PolarHBondContact O-N 3.47Å; W167-A170 PolarHBondContact O-N 2.94Å; A170-M173 PolarHBondContact O-N 3.45Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.3Å; A170-A174 PolarHBondContact O-N 2.71Å
171L96.4Very high90.1Very high78 Ų7850 Ų5041%0.40828%0.283SS..Hα-helixtrans-64.9-40.1177.4-69.6171000112F120 W167 M173 A174 S175F120-L171 HydrophobicContact CZ-CD2 3.89Å; W167-L171 WeakPolarHBondContact O-CB 3.37Å; W167-L171 WeakPolarHBondContact O-CG 3.25Å; W167-L171 PolarHBondContact O-N 2.87Å; L171-M173 VanDerWaalsContact C-N 3.32Å; L171-M173 PolarHBondContact O-N 3.39Å; L171-A174 PolarHBondContact O-N 3Å; L171-S175 PolarHBondContact O-N 3.38Å; L171-S175 VanDerWaalsContact O-N 3.1Å
172A94.9Very high88.2Confident53 Ų5349.9 Ų49.944%0.43828%0.279SS..Hα-helixtrans-62.9-38176.100000112.2I168 K169 S175I168-A172 WeakPolarHBondContact O-CB 3.37Å; I168-A172 PolarHBondContact O-N 2.79Å; K169-A172 PolarHBondContact O-N 2.8Å; A172-S175 PolarHBondContact O-OG 3.44Å
173M93.1Very high86.1Confident29 Ų2951 Ų5114%0.14329%0.289CS..Hα-helixtrans-76.7-34.9176.7-69.2-57.4-60.700112.6V123 K169 A170 L171 S175 V176 P177 F208 V211 F212 Y216V123-M173 HydrophobicContact CG1-CB 4.43Å; K169-M173 WeakPolarHBondContact O-CG 3.31Å; K169-M173 PolarHBondContact O-N 2.81Å; A170-M173 PolarHBondContact O-N 3.45Å; L171-M173 VanDerWaalsContact C-N 3.32Å; L171-M173 PolarHBondContact O-N 3.39Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.28Å; M173-V176 PolarHBondContact O-N 2.95Å; M173-P177 WeakPolarHBondContact O-CD 3.44Å; M173-F208 HydrophobicContact CE-CD2 4.19Å; M173-F208 HydrophobicContact CE-CE2 3.81Å; M173-V211 HydrophobicContact CE-CG1 4.39Å; M173-F212 HydrophobicContact CE-CD2 4.23Å; M173-Y216 HydrophobicContact CB-CE2 4.41Å; M173-Y216 HydrophobicContact CE-CE2 4.4Å; M173-Y216 HydrophobicContact CG-CE2 3.89Å; M173-Y216 WeakPolarHBondContact CG-OH 3.37Å
174A93.4Very high83.8Confident0 Ų056.6 Ų56.60%031%0.308CS..Hα-helixtrans-69.2-26.5178.600000113.7F120 V123 C124 A170 L171 V176 P177F120-A174 HydrophobicContact CD2-CB 3.78Å; F120-A174 WeakPolarHBondContact CD2-O 3.46Å; F120-A174 HydrophobicContact CE2-CB 3.68Å; F120-A174 HydrophobicContact CG-CB 4.4Å; F120-A174 HydrophobicContact CZ-CB 4.22Å; V123-A174 HydrophobicContact CB-CB 4.28Å; V123-A174 HydrophobicContact CG1-CB 4.2Å; C124-A174 HydrophobicContact CB-CB 3.67Å; A170-A174 VanDerWaalsContact O-CB 3.3Å; A170-A174 WeakPolarHBondContact O-CB 3.3Å; A170-A174 PolarHBondContact O-N 2.71Å; L171-A174 PolarHBondContact O-N 3Å; A174-V176 VanDerWaalsContact C-N 3.31Å; A174-P177 WeakPolarHBondContact O-CD 3.3Å
175S90.3Very high81.6Confident41 Ų4158 Ų5829%0.28731%0.308SS..Hα-helixtrans-72.4-24.6176.6660000113.1L171 A172 M173 V178 L179L171-S175 PolarHBondContact O-N 3.38Å; L171-S175 VanDerWaalsContact O-N 3.1Å; A172-S175 PolarHBondContact O-OG 3.44Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.28Å; S175-V178 PolarHBondContact O-N 2.92Å; S175-L179 WeakPolarHBondContact O-CG 3.4Å; S175-L179 PolarHBondContact O-N 2.92Å
176V87.6Confident79.4Confident33 Ų3365.3 Ų65.320%0.234%0.335CS..Hα-helixtrans-60.1-50.9-174.31730000112.9M173 A174 V178 G180 Y204 F208M173-V176 PolarHBondContact O-N 2.95Å; A174-V176 VanDerWaalsContact C-N 3.31Å; V176-V178 VanDerWaalsContact C-N 3.31Å; V176-V178 PolarHBondContact O-N 3.3Å; V176-G180 PolarHBondContact O-N 2.86Å; V176-Y204 HydrophobicContact CG1-CE1 4.16Å; V176-Y204 WeakPolarHBondContact CG1-OH 3.43Å; V176-F208 HydrophobicContact CB-CD2 3.91Å; V176-F208 HydrophobicContact CB-CE2 3.82Å; V176-F208 HydrophobicContact CG1-CB 4.44Å; V176-F208 HydrophobicContact CG1-CD2 3.34Å; V176-F208 HydrophobicContact CG1-CE2 3.78Å; V176-F208 HydrophobicContact CG1-CG 4.06Å
177P79.8Confident76.9Confident19 Ų1968.3 Ų68.312%0.12337%0.368CS..Hα-helixtrans-65.1-33.1178-22.534.6000113.7V123 M173 A174 R181 F208V123-P177 HydrophobicContact CG2-CG 4.19Å; M173-P177 WeakPolarHBondContact O-CD 3.44Å; A174-P177 WeakPolarHBondContact O-CD 3.3Å; P177-R181 PolarHBondContact O-N 3.24Å; P177-R181 VanDerWaalsContact O-N 3.1Å; P177-F208 HydrophobicContact CG-CE1 3.74Å; P177-F208 HydrophobicContact CG-CE2 4.07Å; P177-F208 HydrophobicContact CG-CZ 3.47Å; P177-F208 VanDerWaalsContact CG-CZ 3.47Å
178V79.8Confident74.4Confident41 Ų4167.8 Ų67.825%0.24838%0.382CS..Hα-helixtrans-71-46.3-178.6-177.90000110.6F120 S175 V176 R181F120-V178 HydrophobicContact CB-CG2 3.85Å; F120-V178 HydrophobicContact CD2-CG2 4Å; F120-V178 HydrophobicContact CG-CG2 4.4Å; S175-V178 PolarHBondContact O-N 2.92Å; V176-V178 VanDerWaalsContact C-N 3.31Å; V176-V178 PolarHBondContact O-N 3.3Å; V178-R181 PolarHBondContact O-N 3.46Å
179L78.6Confident71.8Confident119 Ų11968.4 Ų68.462%0.62339%0.393SS*.Hα-helixtrans-69.9-36176.9-65.2175000111.9S175 R181 V182S175-L179 WeakPolarHBondContact O-CG 3.4Å; S175-L179 PolarHBondContact O-N 2.92Å; L179-R181 PolarHBondContact O-N 3.39Å; L179-V182 PolarHBondContact O-N 3.46Å
180G68.4Low69.5Low3 Ų367.7 Ų67.73%0.03140%0.404CS..Hα-helixtrans-57.1-48.1173.900000111.7V176 V182 S183 W199V176-G180 PolarHBondContact O-N 2.86Å; G180-V182 VanDerWaalsContact C-N 3.35Å; G180-V182 PolarHBondContact O-N 2.99Å; G180-S183 PolarHBondContact O-N 3.06Å; G180-S183 PolarHBondContact O-OG 2.62Å; G180-W199 VanDerWaalsContact C-CZ3 3.4Å; G180-W199 WeakPolarHBondContact O-CH2 3.47Å; G180-W199 WeakPolarHBondContact O-CZ3 3.09Å
181R64.1Low67.1Low23 Ų2373.4 Ų73.49%0.08744%0.439CS..Hα-helixtrans-55.8-42.8-179.8-91.9-173.9-168.6-117.48.5114.2P177 V178 L179 S183 W184 S196 W199P177-R181 PolarHBondContact O-N 3.24Å; P177-R181 VanDerWaalsContact O-N 3.1Å; V178-R181 PolarHBondContact O-N 3.46Å; L179-R181 PolarHBondContact O-N 3.39Å; R181-S183 PolarHBondContact O-N 2.9Å; R181-W184 PolarHBondContact O-N 3.13Å; R181-S196 PolarHBondContact NH2-O 3.39Å; R181-W199 VanDerWaalsContact CA-CZ2 3.42Å; R181-W199 HydrophobicContact CB-CD2 4.44Å; R181-W199 HydrophobicContact CB-CH2 4.42Å; R181-W199 HydrophobicContact CB-CZ2 4.2Å; R181-W199 HydrophobicContact CG-CD2 3.33Å; R181-W199 HydrophobicContact CG-CE3 3.76Å; R181-W199 HydrophobicContact CG-CG 3.71Å; R181-W199 HydrophobicContact CG-CH2 4.24Å; R181-W199 HydrophobicContact CG-CZ2 3.85Å; R181-W199 HydrophobicContact CG-CZ3 4.19Å; R181-W199 VanDerWaalsContact CZ-CG 3.47Å; R181-W199 VanDerWaalsContact NH1-CD1 3.27Å
182V54Low64.8Low78 Ų7876.2 Ų76.247%0.47346%0.455SS..Hα-helixtrans-61.6-32.6-178.6177.70000112.2L179 G180 W184L179-V182 PolarHBondContact O-N 3.46Å; G180-V182 VanDerWaalsContact C-N 3.35Å; G180-V182 PolarHBondContact O-N 2.99Å; V182-W184 VanDerWaalsContact C-N 3.3Å; V182-W184 PolarHBondContact O-N 3.14Å
183S51Low62.8Low75 Ų7578.1 Ų78.152%0.52446%0.462SS..THydrogen-bonded Turntrans-74-10.7-17565.90000116.1G180 R181G180-S183 PolarHBondContact O-N 3.06Å; G180-S183 PolarHBondContact O-OG 2.62Å; R181-S183 PolarHBondContact O-N 2.9Å
184W48.4Very low61.2Low150 Ų15079.7 Ų79.757%0.56849%0.486SS*.THydrogen-bonded Turntrans-119.4-11.7-175-80.483.8000114R181 V182 E186 W199R181-W184 PolarHBondContact O-N 3.13Å; V182-W184 VanDerWaalsContact C-N 3.3Å; V182-W184 PolarHBondContact O-N 3.14Å; W184-E186 PolarHBondContact O-N 3.27Å; W184-W199 HydrophobicContact CB-CH2 3.71Å; W184-W199 HydrophobicContact CB-CZ2 3.55Å; W184-W199 AromaticContact CD1-CH2 3.47Å; W184-W199 VanDerWaalsContact CD1-CH2 3.47Å; W184-W199 AromaticContact CG-CH2 3.77Å; W184-W199 HydrophobicContact CG-CH2 3.77Å; W184-W199 HydrophobicContact CG-CZ2 4.06Å
185E51.6Low60.2Low114 Ų11481.2 Ų81.253%0.53350%0.496SS..THydrogen-bonded Turntrans-69.3-10.8172-75.3-163135.100112.9R116 G187R116-E185 IonicContact CZ-OE2 2.82Å; R116-E185 IonicContact NH2-OE1 3.2Å; R116-E185 IonicContact NH2-OE2 3.77Å; R116-E185 PolarHBondContact NH2-OE2 2.92Å; E185-G187 PolarHBondContact O-N 2.9Å; E185-G187 VanDerWaalsContact O-N 3.12Å
186E49.3Very low59.2Low183 Ų18379.8 Ų79.886%0.85549%0.486SS*.THydrogen-bonded Turntrans-71.95176.1-101154.5171.800114.7W184W184-E186 PolarHBondContact O-N 3.27Å
187G45.2Very low58.1Low72 Ų7279.3 Ų79.374%0.74248%0.482SS*.SBendtrans-1525-174.300000120.5E185E185-G187 PolarHBondContact O-N 2.9Å; E185-G187 VanDerWaalsContact O-N 3.12Å
188A45.3Very low57.3Low75 Ų7581.7 Ų81.762%0.6249%0.492SS*.SBendtrans-138.9140.9-178.200000114.1
189P44Very low56.3Low120 Ų12082.5 Ų82.578%0.77949%0.49SS*.  trans-67.5135.7177.526.4-31000111.5V191P189-V191 PolarHBondContact O-N 3.44Å
190S47.8Very low55.4Low115 Ų11579.1 Ų79.180%0.80448%0.476SS*.  trans-62.290.3-17955.50000112.7
191V46.2Very low55.2Low121 Ų12184 Ų8473%0.73350%0.499SS*.  trans-98.6105.3160178.40000105.9P189 P193P189-V191 PolarHBondContact O-N 3.44Å; V191-P193 WeakPolarHBondContact O-CD 3.38Å; V191-P193 WeakPolarHBondContact O-CG 3.41Å
192N48.5Very low55.6Low137 Ų13783.8 Ų83.873%0.73350%0.5SS*.  trans-50.9100.7-176.3-72.4-23000111.7
193P52.5Low56.9Low93 Ų9383.6 Ų83.660%0.60451%0.507SS*.  trans-81.6138.7162.16.716.9000105.4V191V191-P193 WeakPolarHBondContact O-CD 3.38Å; V191-P193 WeakPolarHBondContact O-CG 3.41Å
194G59.7Low58.4Low61 Ų6185.5 Ų85.563%0.62950%0.503SS*.  trans-50.8163.4175.800000113.2S196G194-S196 PolarHBondContact O-N 3.12Å
195C72.3Confident59.8Low32 Ų3279.2 Ų79.222%0.21648%0.482CS..SBendtrans-70.173.1179.9-72.40000113.1C115 Y118C115-C195 WeakPolarHBondContact CA-SG 3.17Å; C115-C195 HydrophobicContact CB-CB 4.19Å; C115-C195 WeakPolarHBondContact CB-SG 3.45Å; C115-C195 WeakPolarHBondContact SG-CA 3.46Å; C115-C195 WeakPolarHBondContact SG-CB 3.41Å; C115-C195 CovalentContact SG-SG 2.03Å; C115-C195 PolarHBondContact SG-SG 3.38Å; Y118-C195 HydrophobicContact CD1-CB 4.33Å
196S69.2Low61.4Low12 Ų1276.8 Ų76.88%0.08447%0.471CS..  trans-108.7153.7-178.1178.20000111.5R181 G194 Q198 E323R181-S196 PolarHBondContact NH2-O 3.39Å; G194-S196 PolarHBondContact O-N 3.12Å; S196-Q198 PolarHBondContact O-N 2.99Å; S196-Q198 VanDerWaalsContact OG-CB 3.24Å; S196-Q198 WeakPolarHBondContact OG-CB 3.42Å; S196-Q198 PolarHBondContact OG-N 3.24Å; S196-E323 VanDerWaalsContact CB-OE2 3.3Å; S196-E323 WeakPolarHBondContact CB-OE2 3.43Å; S196-E323 PolarHBondContact OG-OE1 3.01Å; S196-E323 PolarHBondContact OG-OE2 3.34Å
197L63.6Low63.2Low22 Ų2273.3 Ų73.312%0.11546%0.458CS..SBendtrans-64.6-15.4166.1-148.681.2000111.1L119 V123 W199 E323L119-L197 HydrophobicContact CD2-CD1 4.28Å; V123-L197 HydrophobicContact CG2-CD1 4.03Å; L197-W199 PolarHBondContact O-N 2.88Å; L197-W199 VanDerWaalsContact O-N 3.13Å; L197-E323 PolarHBondContact N-OE1 2.83Å
198Q62.8Low65.4Low69 Ų6970.8 Ų70.832%0.32243%0.426SS..  trans-78.376.5170.5-67.3172.5-20.500111.4S196 V310 T319S196-Q198 PolarHBondContact O-N 2.99Å; S196-Q198 VanDerWaalsContact OG-CB 3.24Å; S196-Q198 WeakPolarHBondContact OG-CB 3.42Å; S196-Q198 PolarHBondContact OG-N 3.24Å; Q198-V310 HydrophobicContact CG-CG1 3.4Å; Q198-V310 VanDerWaalsContact NE2-CG2 3.26Å; Q198-T319 PolarHBondContact NE2-OG1 3.43Å
199W59.4Low67.5Low59 Ų5967.7 Ų67.722%0.22340%0.4CS..  trans-93.3-28.2-179173.251.3000113.7G180 R181 W184 L197G180-W199 VanDerWaalsContact C-CZ3 3.4Å; G180-W199 WeakPolarHBondContact O-CH2 3.47Å; G180-W199 WeakPolarHBondContact O-CZ3 3.09Å; R181-W199 VanDerWaalsContact CA-CZ2 3.42Å; R181-W199 HydrophobicContact CB-CD2 4.44Å; R181-W199 HydrophobicContact CB-CH2 4.42Å; R181-W199 HydrophobicContact CB-CZ2 4.2Å; R181-W199 HydrophobicContact CG-CD2 3.33Å; R181-W199 HydrophobicContact CG-CE3 3.76Å; R181-W199 HydrophobicContact CG-CG 3.71Å; R181-W199 HydrophobicContact CG-CH2 4.24Å; R181-W199 HydrophobicContact CG-CZ2 3.85Å; R181-W199 HydrophobicContact CG-CZ3 4.19Å; R181-W199 VanDerWaalsContact CZ-CG 3.47Å; R181-W199 VanDerWaalsContact NH1-CD1 3.27Å; W184-W199 HydrophobicContact CB-CH2 3.71Å; W184-W199 HydrophobicContact CB-CZ2 3.55Å; W184-W199 AromaticContact CD1-CH2 3.47Å; W184-W199 VanDerWaalsContact CD1-CH2 3.47Å; W184-W199 AromaticContact CG-CH2 3.77Å; W184-W199 HydrophobicContact CG-CH2 3.77Å; W184-W199 HydrophobicContact CG-CZ2 4.06Å; L197-W199 PolarHBondContact O-N 2.88Å; L197-W199 VanDerWaalsContact O-N 3.13Å
200S59.2Low69.8Low47 Ų4764.5 Ų64.533%0.32938%0.378SS..  trans-169.2148.9178.7178.40000112.6S202 C205S200-S202 PolarHBondContact O-N 3.18Å; S200-S202 PolarHBondContact OG-N 3.32Å; S200-C205 VanDerWaalsContact O-CB 3.29Å; S200-C205 WeakPolarHBondContact O-CB 3.37Å
201H64.3Low71.9Confident107 Ų10761.8 Ų61.850%0.49536%0.356SS..  trans-73.621.4170.4-75-73.6000113.7
202S73.8Confident74.2Confident17 Ų1756.2 Ų56.212%0.11932%0.322CS..  trans-69.9146.9179.572.60000111.8S200 Y204 C205 Q206S200-S202 PolarHBondContact O-N 3.18Å; S200-S202 PolarHBondContact OG-N 3.32Å; S202-Y204 PolarHBondContact O-N 3.37Å; S202-Y204 VanDerWaalsContact O-N 3.12Å; S202-C205 PolarHBondContact O-N 2.91Å; S202-C205 PolarHBondContact OG-N 3.44Å; S202-Q206 PolarHBondContact O-N 3.01Å; S202-Q206 VanDerWaalsContact O-N 3.1Å
203A80.8Confident76.4Confident75 Ų7550.1 Ų50.162%0.6229%0.291SS*.Hα-helixtrans-56.5-29.3174.700000112.4L207A203-L207 VanDerWaalsContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CB 3.18Å; A203-L207 PolarHBondContact O-N 3.34Å
204Y81.7Confident78.5Confident114 Ų11448.5 Ų48.545%0.44728%0.279SS..Hα-helixtrans-65.9-46174.6-178.3-95.3000112.5V176 S202 L207 F208V176-Y204 HydrophobicContact CG1-CE1 4.16Å; V176-Y204 WeakPolarHBondContact CG1-OH 3.43Å; S202-Y204 PolarHBondContact O-N 3.37Å; S202-Y204 VanDerWaalsContact O-N 3.12Å; Y204-L207 PolarHBondContact O-N 3.44Å; Y204-F208 WeakPolarHBondContact O-CB 3.34Å; Y204-F208 PolarHBondContact O-N 3.06Å
205C79.2Confident80.2Confident19 Ų1949 Ų4913%0.12827%0.267CS..Hα-helixtrans-63.9-43.8177.3-175.50000111S200 S202 L207 F208 V209S200-C205 VanDerWaalsContact O-CB 3.29Å; S200-C205 WeakPolarHBondContact O-CB 3.37Å; S202-C205 PolarHBondContact O-N 2.91Å; S202-C205 PolarHBondContact OG-N 3.44Å; C205-L207 PolarHBondContact O-N 2.93Å; C205-F208 PolarHBondContact O-N 3.49Å; C205-V209 WeakPolarHBondContact O-CG2 3.47Å; C205-V209 PolarHBondContact O-N 2.91Å
206Q84.2Confident81.3Confident62 Ų6247.8 Ų47.829%0.2926%0.258SS..Hα-helixtrans-58.9-48175.1-65.7-177.4-33.400112S202 F208 V209 V210 A311S202-Q206 PolarHBondContact O-N 3.01Å; S202-Q206 VanDerWaalsContact O-N 3.1Å; Q206-F208 VanDerWaalsContact C-N 3.34Å; Q206-F208 PolarHBondContact O-N 3.3Å; Q206-V209 PolarHBondContact O-N 3.46Å; Q206-V210 WeakPolarHBondContact O-CB 3.39Å; Q206-V210 VanDerWaalsContact O-CG2 3.27Å; Q206-V210 WeakPolarHBondContact O-CG2 3.22Å; Q206-V210 PolarHBondContact O-N 3Å; Q206-A311 VanDerWaalsContact CG-O 3.31Å; Q206-A311 WeakPolarHBondContact CG-O 3.43Å; Q206-A311 PolarHBondContact NE2-O 2.91Å
207L88.3Confident82.5Confident111 Ų11148.5 Ų48.558%0.58126%0.26SS*.Hα-helixtrans-59.9-45.1177.6-178.566.3000111.2A203 Y204 C205 V210 V211A203-L207 VanDerWaalsContact O-CB 3.29Å; A203-L207 WeakPolarHBondContact O-CB 3.18Å; A203-L207 PolarHBondContact O-N 3.34Å; Y204-L207 PolarHBondContact O-N 3.44Å; C205-L207 PolarHBondContact O-N 2.93Å; L207-V210 PolarHBondContact O-N 3.44Å; L207-V211 HydrophobicContact CD1-CG2 4.16Å; L207-V211 HydrophobicContact CG-CG2 4.37Å; L207-V211 WeakPolarHBondContact O-CB 3.27Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3Å
208F89.7Confident84Confident19 Ų1951.3 Ų51.38%0.08327%0.274CS..Hα-helixtrans-58.9-50.6176.8169.8-100.8000111.8V123 M173 V176 P177 Y204 C205 Q206 V210 V211 F212V123-F208 HydrophobicContact CG1-CZ 4.26Å; V123-F208 HydrophobicContact CG2-CZ 4.42Å; M173-F208 HydrophobicContact CE-CD2 4.19Å; M173-F208 HydrophobicContact CE-CE2 3.81Å; V176-F208 HydrophobicContact CB-CD2 3.91Å; V176-F208 HydrophobicContact CB-CE2 3.82Å; V176-F208 HydrophobicContact CG1-CB 4.44Å; V176-F208 HydrophobicContact CG1-CD2 3.34Å; V176-F208 HydrophobicContact CG1-CE2 3.78Å; V176-F208 HydrophobicContact CG1-CG 4.06Å; P177-F208 HydrophobicContact CG-CE1 3.74Å; P177-F208 HydrophobicContact CG-CE2 4.07Å; P177-F208 HydrophobicContact CG-CZ 3.47Å; P177-F208 VanDerWaalsContact CG-CZ 3.47Å; Y204-F208 WeakPolarHBondContact O-CB 3.34Å; Y204-F208 PolarHBondContact O-N 3.06Å; C205-F208 PolarHBondContact O-N 3.49Å; Q206-F208 VanDerWaalsContact C-N 3.34Å; Q206-F208 PolarHBondContact O-N 3.3Å; F208-V210 VanDerWaalsContact C-N 3.33Å; F208-V210 PolarHBondContact O-N 2.94Å; F208-V211 PolarHBondContact O-N 3.35Å; F208-F212 HydrophobicContact CZ-CD2 4.4Å; F208-F212 HydrophobicContact CZ-CG 4.48Å; F208-F212 WeakPolarHBondContact O-CB 3.33Å; F208-F212 PolarHBondContact O-N 3.3Å
209V89.6Confident85.5Confident10 Ų1052.2 Ų52.26%0.06128%0.281CS..Hα-helixtrans-61.8-41.5-179173.60000111.2C205 Q206 F212 A213 H307 A311C205-V209 WeakPolarHBondContact O-CG2 3.47Å; C205-V209 PolarHBondContact O-N 2.91Å; Q206-V209 PolarHBondContact O-N 3.46Å; V209-F212 PolarHBondContact O-N 3.29Å; V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 2.87Å; V209-H307 HydrophobicContact CG1-CB 4.25Å; V209-A311 HydrophobicContact CB-CB 3.94Å; V209-A311 HydrophobicContact CG1-CB 3.81Å; V209-A311 HydrophobicContact CG2-CB 4.27Å
210V92.1Very high87.2Confident52 Ų5249.6 Ų49.632%0.31527%0.272SS..Hα-helixtrans-64.1-48.7176.5171.90000111Q206 L207 F208 F212 A213 V214 L308 L312Q206-V210 WeakPolarHBondContact O-CB 3.39Å; Q206-V210 VanDerWaalsContact O-CG2 3.27Å; Q206-V210 WeakPolarHBondContact O-CG2 3.22Å; Q206-V210 PolarHBondContact O-N 3Å; L207-V210 PolarHBondContact O-N 3.44Å; F208-V210 VanDerWaalsContact C-N 3.33Å; F208-V210 PolarHBondContact O-N 2.94Å; V210-F212 VanDerWaalsContact C-N 3.31Å; V210-F212 PolarHBondContact O-N 3.38Å; V210-A213 PolarHBondContact O-N 3.17Å; V210-V214 WeakPolarHBondContact O-CG2 3.22Å; V210-V214 PolarHBondContact O-N 2.92Å; V210-L308 HydrophobicContact CG2-CD1 3.81Å; V210-L312 HydrophobicContact CG2-CD2 4.4Å
211V93.6Very high88.8Confident58 Ų5849.5 Ų49.535%0.35227%0.267SS..Hα-helixtrans-61.3-42.8178.1169.30000110.6M173 L207 F208 V214 L215M173-V211 HydrophobicContact CE-CG1 4.39Å; L207-V211 HydrophobicContact CD1-CG2 4.16Å; L207-V211 HydrophobicContact CG-CG2 4.37Å; L207-V211 WeakPolarHBondContact O-CB 3.27Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 3Å; F208-V211 PolarHBondContact O-N 3.35Å; V211-V214 PolarHBondContact O-N 3.43Å; V211-L215 HydrophobicContact CG1-CD1 3.76Å; V211-L215 HydrophobicContact CG1-CG 4.26Å; V211-L215 WeakPolarHBondContact O-CB 3.47Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 3.47Å
212F94.3Very high90.1Very high4 Ų448.5 Ų48.52%0.01827%0.265CS..Hα-helixtrans-61.6-47.3177-171.1-108.3000111.3V123 V126 S127 M173 F208 V209 V210 V214 L215 Y216 F304V123-F212 HydrophobicContact CG1-CD2 4.45Å; V123-F212 HydrophobicContact CG1-CE2 3.84Å; V123-F212 HydrophobicContact CG1-CZ 4.32Å; V126-F212 HydrophobicContact CG1-CZ 4.06Å; S127-F212 WeakPolarHBondContact OG-CE2 3.4Å; M173-F212 HydrophobicContact CE-CD2 4.23Å; F208-F212 HydrophobicContact CZ-CD2 4.4Å; F208-F212 HydrophobicContact CZ-CG 4.48Å; F208-F212 WeakPolarHBondContact O-CB 3.33Å; F208-F212 PolarHBondContact O-N 3.3Å; V209-F212 PolarHBondContact O-N 3.29Å; V210-F212 VanDerWaalsContact C-N 3.31Å; V210-F212 PolarHBondContact O-N 3.38Å; F212-V214 PolarHBondContact O-N 3.49Å; F212-L215 PolarHBondContact O-N 3.34Å; F212-Y216 AromaticContact CD2-CD2 3.35Å; F212-Y216 HydrophobicContact CD2-CD2 3.35Å; F212-Y216 AromaticContact CD2-CE2 3.64Å; F212-Y216 HydrophobicContact CD2-CE2 3.64Å; F212-Y216 HydrophobicContact CD2-CG 4.24Å; F212-Y216 AromaticContact CE2-CD2 3.45Å; F212-Y216 HydrophobicContact CE2-CD2 3.45Å; F212-Y216 VanDerWaalsContact CE2-CD2 3.45Å; F212-Y216 AromaticContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CE2-CE2 3.74Å; F212-Y216 AromaticContact CE2-CG 3.97Å; F212-Y216 HydrophobicContact CE2-CG 3.97Å; F212-Y216 HydrophobicContact CG-CD2 4.08Å; F212-Y216 HydrophobicContact CZ-CD2 4.27Å; F212-Y216 HydrophobicContact CZ-CG 4.41Å; F212-Y216 WeakPolarHBondContact O-CB 3Å; F212-Y216 WeakPolarHBondContact O-CD2 3.14Å; F212-Y216 PolarHBondContact O-N 3.04Å; F212-F304 HydrophobicContact CD1-CD1 4.39Å; F212-F304 AromaticContact CD1-CE1 3.57Å; F212-F304 HydrophobicContact CD1-CE1 3.57Å; F212-F304 HydrophobicContact CD1-CZ 4.41Å; F212-F304 AromaticContact CE1-CE1 3.53Å; F212-F304 HydrophobicContact CE1-CE1 3.53Å; F212-F304 AromaticContact CE1-CZ 3.95Å; F212-F304 HydrophobicContact CE1-CZ 3.95Å
213A94.9Very high90.9Very high9 Ų950 Ų507%0.07427%0.271CS..Hα-helixtrans-62-40.3175.400000112.5V209 V210 F217 L218 F304V209-A213 WeakPolarHBondContact O-CB 3.41Å; V209-A213 PolarHBondContact O-N 2.87Å; V210-A213 PolarHBondContact O-N 3.17Å; A213-F217 WeakPolarHBondContact O-CA 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.48Å; A213-F217 PolarHBondContact O-N 3.05Å; A213-L218 PolarHBondContact O-N 2.73Å; A213-F304 HydrophobicContact CB-CD1 3.99Å
214V95.7Very high91.3Very high60 Ų6046.6 Ų46.636%0.36424%0.242SC..Iπ-helixtrans-64.1-49.3177.2170.10000110.9V210 V211 F212 L218 L219V210-V214 WeakPolarHBondContact O-CG2 3.22Å; V210-V214 PolarHBondContact O-N 2.92Å; V211-V214 PolarHBondContact O-N 3.43Å; F212-V214 PolarHBondContact O-N 3.49Å; V214-L218 PolarHBondContact O-N 2.96Å; V214-L219 HydrophobicContact CG1-CG 4.46Å; V214-L219 WeakPolarHBondContact O-CG 3.41Å; V214-L219 PolarHBondContact O-N 3.48Å
215L95.5Very high91.7Very high71 Ų7147.4 Ų47.437%0.37225%0.248SC..Iπ-helixtrans-71.9-36.2-174.3-69.1179.5000113.5V211 F212 L219 P220V211-L215 HydrophobicContact CG1-CD1 3.76Å; V211-L215 HydrophobicContact CG1-CG 4.26Å; V211-L215 WeakPolarHBondContact O-CB 3.47Å; V211-L215 VanDerWaalsContact O-CG 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.44Å; V211-L215 PolarHBondContact O-N 3.47Å; F212-L215 PolarHBondContact O-N 3.34Å; L215-L219 HydrophobicContact CD2-CD1 3.85Å; L215-P220 VanDerWaalsContact O-CD 3.27Å; L215-P220 WeakPolarHBondContact O-CD 3.33Å
216Y95.5Very high92.1Very high6 Ų649.8 Ų49.82%0.02426%0.262CS..Iπ-helixtrans-110.4-10.6-170.5-63.8-84000113.8S127 I130 L131 M173 F212S127-Y216 VanDerWaalsContact CB-CE1 3.42Å; S127-Y216 WeakPolarHBondContact OG-CE1 3.39Å; I130-Y216 HydrophobicContact CB-CD1 4.28Å; I130-Y216 HydrophobicContact CG2-CD1 4.03Å; I130-Y216 WeakPolarHBondContact CG2-O 3.34Å; L131-Y216 HydrophobicContact CD1-CE1 3.74Å; L131-Y216 HydrophobicContact CD2-CE1 4.13Å; L131-Y216 HydrophobicContact CG-CD1 4.25Å; L131-Y216 HydrophobicContact CG-CE1 3.69Å; M173-Y216 HydrophobicContact CB-CE2 4.41Å; M173-Y216 HydrophobicContact CE-CE2 4.4Å; M173-Y216 HydrophobicContact CG-CE2 3.89Å; M173-Y216 WeakPolarHBondContact CG-OH 3.37Å; F212-Y216 AromaticContact CD2-CD2 3.35Å; F212-Y216 HydrophobicContact CD2-CD2 3.35Å; F212-Y216 AromaticContact CD2-CE2 3.64Å; F212-Y216 HydrophobicContact CD2-CE2 3.64Å; F212-Y216 HydrophobicContact CD2-CG 4.24Å; F212-Y216 AromaticContact CE2-CD2 3.45Å; F212-Y216 HydrophobicContact CE2-CD2 3.45Å; F212-Y216 VanDerWaalsContact CE2-CD2 3.45Å; F212-Y216 AromaticContact CE2-CE2 3.74Å; F212-Y216 HydrophobicContact CE2-CE2 3.74Å; F212-Y216 AromaticContact CE2-CG 3.97Å; F212-Y216 HydrophobicContact CE2-CG 3.97Å; F212-Y216 HydrophobicContact CG-CD2 4.08Å; F212-Y216 HydrophobicContact CZ-CD2 4.27Å; F212-Y216 HydrophobicContact CZ-CG 4.41Å; F212-Y216 WeakPolarHBondContact O-CB 3Å; F212-Y216 WeakPolarHBondContact O-CD2 3.14Å; F212-Y216 PolarHBondContact O-N 3.04Å
217F94.7Very high92Very high28 Ų2847.3 Ų47.312%0.12325%0.251CS..Iπ-helixtrans-117.5-59.6173177.6-111.1000112.2A213 L221 F296 L297 W300 L301 F304A213-F217 WeakPolarHBondContact O-CA 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.48Å; A213-F217 PolarHBondContact O-N 3.05Å; F217-L221 HydrophobicContact CE1-CD2 4.45Å; F217-L221 HydrophobicContact CZ-CD2 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.42Å; F217-L221 PolarHBondContact O-N 3.3Å; F217-F296 HydrophobicContact CD2-CE1 4.04Å; F217-F296 HydrophobicContact CD2-CZ 4.49Å; F217-F296 HydrophobicContact CE2-CE1 4.36Å; F217-L297 HydrophobicContact CE2-CD2 4.31Å; F217-L297 HydrophobicContact CZ-CD2 4.35Å; F217-W300 HydrophobicContact CD2-CB 4.15Å; F217-W300 HydrophobicContact CE2-CB 4.5Å; F217-L301 HydrophobicContact CE1-CD1 4.05Å; F217-L301 HydrophobicContact CE2-CB 4.11Å; F217-L301 HydrophobicContact CE2-CD1 4.32Å; F217-L301 HydrophobicContact CZ-CB 4.09Å; F217-L301 HydrophobicContact CZ-CD1 3.47Å; F217-L301 VanDerWaalsContact CZ-CD1 3.47Å; F217-L301 HydrophobicContact CZ-CG 4.39Å; F217-F304 HydrophobicContact CB-CB 4.14Å; F217-F304 HydrophobicContact CB-CD1 3.96Å; F217-F304 HydrophobicContact CB-CD2 3.53Å; F217-F304 HydrophobicContact CB-CE1 4.19Å; F217-F304 HydrophobicContact CB-CE2 3.82Å; F217-F304 HydrophobicContact CB-CG 3.61Å; F217-F304 HydrophobicContact CB-CZ 4.14Å; F217-F304 HydrophobicContact CD1-CB 4.29Å; F217-F304 HydrophobicContact CD2-CB 4.48Å; F217-F304 AromaticContact CD2-CD2 3.81Å; F217-F304 HydrophobicContact CD2-CD2 3.81Å; F217-F304 HydrophobicContact CD2-CE2 4.43Å; F217-F304 HydrophobicContact CD2-CG 4.38Å; F217-F304 HydrophobicContact CG-CB 4.05Å; F217-F304 AromaticContact CG-CD2 3.83Å; F217-F304 HydrophobicContact CG-CD2 3.83Å; F217-F304 HydrophobicContact CG-CE2 4.49Å; F217-F304 AromaticContact CG-CG 3.98Å; F217-F304 HydrophobicContact CG-CG 3.98Å
218L95.3Very high91.7Very high80 Ų8043.8 Ų43.842%0.41923%0.23SC..Iπ-helixtrans-66.8-48.3-172.6-175.562.4000112.8A213 V214 L221 I222A213-L218 PolarHBondContact O-N 2.73Å; V214-L218 PolarHBondContact O-N 2.96Å; L218-L221 PolarHBondContact O-N 3.48Å; L218-I222 HydrophobicContact CD1-CD1 4.12Å; L218-I222 HydrophobicContact CD1-CG1 4.42Å; L218-I222 HydrophobicContact CG-CD1 3.95Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.15Å; L218-I222 PolarHBondContact O-N 2.99Å
219L94.7Very high91.5Very high89 Ų8945.8 Ų45.847%0.46625%0.246SC..Hα-helixtrans-64.3-48.3179.8-71.2-178000112.6V214 L215 L221 I222 L223V214-L219 HydrophobicContact CG1-CG 4.46Å; V214-L219 WeakPolarHBondContact O-CG 3.41Å; V214-L219 PolarHBondContact O-N 3.48Å; L215-L219 HydrophobicContact CD2-CD1 3.85Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.42Å; L219-I222 PolarHBondContact O-N 2.95Å; L219-L223 WeakPolarHBondContact O-CB 3.3Å; L219-L223 PolarHBondContact O-N 3.35Å
220P93.4Very high91.1Very high4 Ų446.6 Ų46.63%0.02625%0.252CS..Hα-helixtrans-58.7-38.2172.7-29.638.8000113.2I130 L215 L223 I224 F296I130-P220 HydrophobicContact CG2-CB 4.29Å; I130-P220 HydrophobicContact CG2-CG 3.7Å; L215-P220 VanDerWaalsContact O-CD 3.27Å; L215-P220 WeakPolarHBondContact O-CD 3.33Å; P220-L223 WeakPolarHBondContact O-CB 3.14Å; P220-L223 PolarHBondContact O-N 3.22Å; P220-I224 WeakPolarHBondContact O-CB 3.38Å; P220-I224 VanDerWaalsContact O-CG1 3.23Å; P220-I224 WeakPolarHBondContact O-CG1 3.38Å; P220-I224 PolarHBondContact O-N 3.11Å; P220-F296 HydrophobicContact CB-CE1 4.22Å; P220-F296 HydrophobicContact CB-CE2 4.12Å; P220-F296 HydrophobicContact CB-CZ 3.63Å; P220-F296 HydrophobicContact CG-CZ 4.39Å
221L92.9Very high90.4Very high45 Ų4545.4 Ų45.424%0.23624%0.244CC..Hα-helixtrans-63.3-47.5176.9178.559.9000112.1F217 L218 L219 L223 I224 F225 F296 L297F217-L221 HydrophobicContact CE1-CD2 4.45Å; F217-L221 HydrophobicContact CZ-CD2 4.11Å; F217-L221 WeakPolarHBondContact O-CB 3.42Å; F217-L221 PolarHBondContact O-N 3.3Å; L218-L221 PolarHBondContact O-N 3.48Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.42Å; L221-L223 VanDerWaalsContact C-N 3.28Å; L221-L223 PolarHBondContact O-N 3.45Å; L221-I224 PolarHBondContact O-N 3.08Å; L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 2.98Å; L221-F296 HydrophobicContact CB-CE1 4.39Å; L221-L297 HydrophobicContact CD1-CD1 4.09Å; L221-L297 HydrophobicContact CD1-CD2 3.43Å; L221-L297 VanDerWaalsContact CD1-CD2 3.43Å; L221-L297 HydrophobicContact CD1-CG 3.8Å; L221-L297 HydrophobicContact CD2-CD2 3.98Å; L221-L297 HydrophobicContact CG-CD2 4.33Å
222I92.5Very high89.6Confident86 Ų8649.3 Ų49.344%0.44126%0.256SS..Hα-helixtrans-60-43.2175.9-68.6165.8000110.1L218 L219 F225 V226L218-I222 HydrophobicContact CD1-CD1 4.12Å; L218-I222 HydrophobicContact CD1-CG1 4.42Å; L218-I222 HydrophobicContact CG-CD1 3.95Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.15Å; L218-I222 PolarHBondContact O-N 2.99Å; L219-I222 PolarHBondContact O-N 2.95Å; I222-F225 PolarHBondContact O-N 2.93Å; I222-V226 HydrophobicContact CG2-CG2 4.36Å; I222-V226 VanDerWaalsContact O-CG2 3.32Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 3.18Å
223L91Very high89.1Confident48 Ų4858.1 Ų58.125%0.25129%0.289SS..Hα-helixtrans-58.9-53.6177.6-175.4152.1000110.9N137 V138 L219 P220 L221 F225 V226 V227N137-L223 HydrophobicContact CB-CD2 3.38Å; V138-L223 HydrophobicContact CG2-CD1 3.65Å; V138-L223 HydrophobicContact CG2-CD2 4.3Å; V138-L223 HydrophobicContact CG2-CG 4.39Å; L219-L223 WeakPolarHBondContact O-CB 3.3Å; L219-L223 PolarHBondContact O-N 3.35Å; P220-L223 WeakPolarHBondContact O-CB 3.14Å; P220-L223 PolarHBondContact O-N 3.22Å; L221-L223 VanDerWaalsContact C-N 3.28Å; L221-L223 PolarHBondContact O-N 3.45Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 3.03Å; L223-V226 PolarHBondContact O-N 3.47Å; L223-V226 VanDerWaalsContact O-N 3.15Å; L223-V227 HydrophobicContact CD2-CG2 4.16Å; L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.9Å
224I88.8Confident88.2Confident4 Ų460.9 Ų60.92%0.02131%0.305CS..Hα-helixtrans-54.3-46.2177.5-73.7168.4000110.7P220 L221 V227 Y228 F296P220-I224 WeakPolarHBondContact O-CB 3.38Å; P220-I224 VanDerWaalsContact O-CG1 3.23Å; P220-I224 WeakPolarHBondContact O-CG1 3.38Å; P220-I224 PolarHBondContact O-N 3.11Å; L221-I224 PolarHBondContact O-N 3.08Å; I224-V227 PolarHBondContact O-N 3.27Å; I224-Y228 HydrophobicContact CG2-CD2 3.81Å; I224-Y228 HydrophobicContact CG2-CE2 3.13Å; I224-Y228 WeakPolarHBondContact O-CD2 3.3Å; I224-Y228 PolarHBondContact O-N 2.82Å; I224-F296 HydrophobicContact CD1-CB 3.88Å; I224-F296 HydrophobicContact CD1-CD1 3.81Å; I224-F296 HydrophobicContact CD1-CD2 4.11Å; I224-F296 HydrophobicContact CD1-CE1 4.43Å; I224-F296 HydrophobicContact CD1-CG 3.64Å
225F89.3Confident87.1Confident131 Ų13159.6 Ų59.658%0.57530%0.301SS*.Hα-helixtrans-59.5-48.4177.4179.9-100.5000112.4L221 I222 L223 V227 Y228 C229L221-F225 WeakPolarHBondContact O-CB 3.47Å; L221-F225 PolarHBondContact O-N 2.98Å; I222-F225 PolarHBondContact O-N 2.93Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 3.03Å; F225-V227 VanDerWaalsContact C-N 3.33Å; F225-V227 PolarHBondContact O-N 2.92Å; F225-Y228 PolarHBondContact O-N 3.48Å; F225-C229 VanDerWaalsContact CE1-SG 3.59Å; F225-C229 WeakPolarHBondContact CZ-SG 3.17Å; F225-C229 PolarHBondContact O-N 3.07Å; F225-C229 PolarHBondContact O-SG 3.45Å; F225-C229 VanDerWaalsContact O-SG 3.36Å
226V87.8Confident86.3Confident68 Ų6863.8 Ų63.841%0.41231%0.312SS..Hα-helixtrans-60.3-42.6177.9169.10000111.4I222 L223 Y228 C229 S230I222-V226 HydrophobicContact CG2-CG2 4.36Å; I222-V226 VanDerWaalsContact O-CG2 3.32Å; I222-V226 WeakPolarHBondContact O-CG2 3.48Å; I222-V226 PolarHBondContact O-N 3.18Å; L223-V226 PolarHBondContact O-N 3.47Å; L223-V226 VanDerWaalsContact O-N 3.15Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 3.18Å; V226-C229 PolarHBondContact O-N 3.24Å; V226-S230 VanDerWaalsContact O-CB 3.32Å; V226-S230 WeakPolarHBondContact O-CB 3.49Å; V226-S230 PolarHBondContact O-N 3.42Å; V226-S230 PolarHBondContact O-OG 3.04Å
227V83.2Confident85.4Confident11 Ų1167.1 Ų67.17%0.06733%0.333CS..Hα-helixtrans-61.8-43176.9178.40000110.9Y141 L223 I224 F225 S230 M231Y141-V227 HydrophobicContact CD2-CG2 4.01Å; Y141-V227 HydrophobicContact CG-CG2 4.18Å; L223-V227 HydrophobicContact CD2-CG2 4.16Å; L223-V227 VanDerWaalsContact O-CG2 3.3Å; L223-V227 WeakPolarHBondContact O-CG2 3.21Å; L223-V227 PolarHBondContact O-N 2.9Å; I224-V227 PolarHBondContact O-N 3.27Å; F225-V227 VanDerWaalsContact C-N 3.33Å; F225-V227 PolarHBondContact O-N 2.92Å; V227-S230 PolarHBondContact O-N 3.1Å; V227-M231 PolarHBondContact O-N 3.25Å
228Y82Confident84.3Confident36 Ų3667 Ų6714%0.14134%0.337CS..Hα-helixtrans-67.3-45.2177.4-67.2-27000113.9I224 F225 V226 S230 M231 F232 L289 G293I224-Y228 HydrophobicContact CG2-CD2 3.81Å; I224-Y228 HydrophobicContact CG2-CE2 3.13Å; I224-Y228 WeakPolarHBondContact O-CD2 3.3Å; I224-Y228 PolarHBondContact O-N 2.82Å; F225-Y228 PolarHBondContact O-N 3.48Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 3.18Å; Y228-S230 VanDerWaalsContact C-N 3.25Å; Y228-S230 PolarHBondContact O-N 2.82Å; Y228-M231 PolarHBondContact O-N 3.45Å; Y228-F232 WeakPolarHBondContact O-CB 3.49Å; Y228-F232 PolarHBondContact O-N 2.95Å; Y228-L289 HydrophobicContact CD1-CB 4.11Å; Y228-L289 HydrophobicContact CE1-CB 3.63Å; Y228-L289 HydrophobicContact CE1-CD2 4.16Å; Y228-L289 HydrophobicContact CE1-CG 4.46Å; Y228-L289 VanDerWaalsContact CE1-O 3.25Å; Y228-L289 WeakPolarHBondContact CE1-O 3.42Å; Y228-L289 PolarHBondContact OH-O 3.49Å; Y228-G293 WeakPolarHBondContact OH-CA 3.49Å; Y228-G293 PolarHBondContact OH-N 2.86Å
229C83.9Confident83.2Confident61 Ų6166.4 Ų66.441%0.41234%0.343SS..Hα-helixtrans-57.7-44.1175.7-69.60000110.8F225 V226 F232 R233F225-C229 VanDerWaalsContact CE1-SG 3.59Å; F225-C229 WeakPolarHBondContact CZ-SG 3.17Å; F225-C229 PolarHBondContact O-N 3.07Å; F225-C229 PolarHBondContact O-SG 3.45Å; F225-C229 VanDerWaalsContact O-SG 3.36Å; V226-C229 PolarHBondContact O-N 3.24Å; C229-F232 PolarHBondContact O-N 3.1Å; C229-R233 WeakPolarHBondContact O-CB 3.26Å; C229-R233 PolarHBondContact O-N 3.46Å
230S81.9Confident82.1Confident28 Ų2868.7 Ų68.720%0.19635%0.353CS..Hα-helixtrans-62.7-45.2178.7-580000111.5V226 V227 Y228 R233 V234V226-S230 VanDerWaalsContact O-CB 3.32Å; V226-S230 WeakPolarHBondContact O-CB 3.49Å; V226-S230 PolarHBondContact O-N 3.42Å; V226-S230 PolarHBondContact O-OG 3.04Å; V227-S230 PolarHBondContact O-N 3.1Å; Y228-S230 VanDerWaalsContact C-N 3.25Å; Y228-S230 PolarHBondContact O-N 2.82Å; S230-R233 PolarHBondContact O-N 3.1Å; S230-V234 WeakPolarHBondContact O-CG2 3.45Å; S230-V234 PolarHBondContact O-N 3.45Å; S230-V234 VanDerWaalsContact O-N 3.07Å
231M76.8Confident80.8Confident26 Ų2676.1 Ų76.113%0.12839%0.387CS..Hα-helixtrans-67.4-44.2178.2-175.5-179.67900112.5V144 V227 Y228 R233 V234 A235 A286 L289V144-M231 HydrophobicContact CG1-CB 4.12Å; V144-M231 HydrophobicContact CG1-CG 3.86Å; V227-M231 PolarHBondContact O-N 3.25Å; Y228-M231 PolarHBondContact O-N 3.45Å; M231-R233 PolarHBondContact O-N 2.93Å; M231-V234 PolarHBondContact O-N 3.38Å; M231-V234 VanDerWaalsContact O-N 3.15Å; M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.12Å; M231-A286 VanDerWaalsContact CE-CA 3.48Å; M231-A286 HydrophobicContact CE-CB 3.8Å; M231-L289 HydrophobicContact CE-CB 3.98Å; M231-L289 HydrophobicContact CE-CD1 3.42Å; M231-L289 VanDerWaalsContact CE-CD1 3.42Å; M231-L289 HydrophobicContact CE-CG 4.33Å; M231-L289 HydrophobicContact SD-CD1 3.05Å; M231-L289 WeakPolarHBondContact SD-CD1 3.49Å; M231-L289 HydrophobicContact SD-CG 4.41Å
232F78.2Confident78.9Confident141 Ų14181.2 Ų81.262%0.61841%0.41SS*.Hα-helixtrans-58.8-40.2177.9-178.8-99.4000110.8Y228 C229 A235 R236Y228-F232 WeakPolarHBondContact O-CB 3.49Å; Y228-F232 PolarHBondContact O-N 2.95Å; C229-F232 PolarHBondContact O-N 3.1Å; F232-A235 PolarHBondContact O-N 2.94Å; F232-R236 VanDerWaalsContact O-CB 3.28Å; F232-R236 WeakPolarHBondContact O-CB 3.41Å; F232-R236 PolarHBondContact O-N 3.3Å
233R82.4Confident77Confident189 Ų18979.1 Ų79.171%0.71341%0.41SS*.Hα-helixtrans-59.9-49.8174-174.2-177.5176.6-172.8-0.2111.7C229 S230 M231 R236 V237C229-R233 WeakPolarHBondContact O-CB 3.26Å; C229-R233 PolarHBondContact O-N 3.46Å; S230-R233 PolarHBondContact O-N 3.1Å; M231-R233 PolarHBondContact O-N 2.93Å; R233-R236 PolarHBondContact O-N 3.28Å; R233-V237 VanDerWaalsContact O-CG2 3.3Å; R233-V237 WeakPolarHBondContact O-CG2 3.5Å; R233-V237 PolarHBondContact O-N 3.48Å
234V77.8Confident75.1Confident66 Ų6683.1 Ų83.140%0.444%0.438SS..Hα-helixtrans-61.6-45.5179.31730000111.2S230 M231 R236 V237 A238S230-V234 WeakPolarHBondContact O-CG2 3.45Å; S230-V234 PolarHBondContact O-N 3.45Å; S230-V234 VanDerWaalsContact O-N 3.07Å; M231-V234 PolarHBondContact O-N 3.38Å; M231-V234 VanDerWaalsContact O-N 3.15Å; V234-R236 PolarHBondContact O-N 3.48Å; V234-V237 PolarHBondContact O-N 3.04Å; V234-A238 WeakPolarHBondContact O-CB 3.25Å; V234-A238 PolarHBondContact O-N 3.46Å
235A72.1Confident73.2Confident34 Ų3489.3 Ų89.328%0.28147%0.471SS..Hα-helixtrans-62.2-41.9178.100000112.1M231 F232 A238 A239M231-A235 WeakPolarHBondContact O-CB 3.49Å; M231-A235 PolarHBondContact O-N 3.12Å; F232-A235 PolarHBondContact O-N 2.94Å; A235-A238 PolarHBondContact O-N 3.39Å; A235-A239 WeakPolarHBondContact O-CB 3.16Å; A235-A239 PolarHBondContact O-N 3.42Å
236R77.9Confident71.2Confident159 Ų15987.4 Ų87.460%0.647%0.471SS*.Hα-helixtrans-65.2-44.6176.6-171.5-177.6-177-168.42.4111.5F232 R233 V234 A238 A239 M240F232-R236 VanDerWaalsContact O-CB 3.28Å; F232-R236 WeakPolarHBondContact O-CB 3.41Å; F232-R236 PolarHBondContact O-N 3.3Å; R233-R236 PolarHBondContact O-N 3.28Å; V234-R236 PolarHBondContact O-N 3.48Å; R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 3.02Å; R236-A239 PolarHBondContact O-N 3.39Å; R236-M240 HydrophobicContact CG-CG 4.36Å; R236-M240 WeakPolarHBondContact O-CG 3.2Å; R236-M240 PolarHBondContact O-N 2.94Å
237V77.8Confident69.5Low76 Ų7690.1 Ų90.146%0.46149%0.489SS..Hα-helixtrans-61.4-44.2177.4171.80000110.8R233 V234 A239 M240 Q241R233-V237 VanDerWaalsContact O-CG2 3.3Å; R233-V237 WeakPolarHBondContact O-CG2 3.5Å; R233-V237 PolarHBondContact O-N 3.48Å; V234-V237 PolarHBondContact O-N 3.04Å; V237-A239 VanDerWaalsContact C-N 3.32Å; V237-A239 PolarHBondContact O-N 2.93Å; V237-M240 PolarHBondContact O-N 2.99Å; V237-Q241 WeakPolarHBondContact O-CG 3.28Å; V237-Q241 PolarHBondContact O-N 3.28Å
238A70.6Confident68.1Low26 Ų26100.8 Ų100.822%0.21553%0.528CS..Hα-helixtrans-63.6-36176.500000112.9V234 A235 R236 H242V234-A238 WeakPolarHBondContact O-CB 3.25Å; V234-A238 PolarHBondContact O-N 3.46Å; A235-A238 PolarHBondContact O-N 3.39Å; R236-A238 VanDerWaalsContact C-N 3.34Å; R236-A238 PolarHBondContact O-N 3.02Å; A238-H242 PolarHBondContact O-ND1 3.27Å
239A71.4Confident66.2Low66 Ų66106.4 Ų106.455%0.54556%0.557SS.*Hα-helixtrans-69.7-38.5174.900000112.4A235 R236 V237 Q241 H242A235-A239 WeakPolarHBondContact O-CB 3.16Å; A235-A239 PolarHBondContact O-N 3.42Å; R236-A239 PolarHBondContact O-N 3.39Å; V237-A239 VanDerWaalsContact C-N 3.32Å; V237-A239 PolarHBondContact O-N 2.93Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; A239-H242 PolarHBondContact O-N 3.17Å
240M72.8Confident64.2Low138 Ų138111.9 Ų111.968%0.6858%0.577SS**Hα-helixtrans-71.1-28.7178-64.9-69.4-84.600112.5R236 V237 H242 G243R236-M240 HydrophobicContact CG-CG 4.36Å; R236-M240 WeakPolarHBondContact O-CG 3.2Å; R236-M240 PolarHBondContact O-N 2.94Å; V237-M240 PolarHBondContact O-N 2.99Å; M240-H242 PolarHBondContact O-N 2.89Å; M240-G243 PolarHBondContact O-N 3.01Å
241Q65Low62.4Low159 Ų159115.7 Ų115.774%0.74360%0.599SS**THydrogen-bonded Turntrans-69.8-17.8173.6-75.3-177.4-10.200113.7V237 A239 G243V237-Q241 WeakPolarHBondContact O-CG 3.28Å; V237-Q241 PolarHBondContact O-N 3.28Å; A239-Q241 VanDerWaalsContact C-N 3.34Å; Q241-G243 VanDerWaalsContact C-N 3.34Å
242H54.1Low60.8Low152 Ų152120.2 Ų120.270%0.70463%0.63SS**THydrogen-bonded Turntrans-97.427.2171.9-67.279.8000112.3A238 A239 M240A238-H242 PolarHBondContact O-ND1 3.27Å; A239-H242 PolarHBondContact O-N 3.17Å; M240-H242 PolarHBondContact O-N 2.89Å
243G51.7Low59Low43 Ų43124.8 Ų124.844%0.44364%0.643SS.*  trans-54.1156170.700000112.2M240 Q241 L245M240-G243 PolarHBondContact O-N 3.01Å; Q241-G243 VanDerWaalsContact C-N 3.34Å; G243-L245 PolarHBondContact O-N 2.91Å
244P51.1Low57.1Low131 Ų131124.7 Ų124.785%0.85165%0.651SS**  trans-54.6130.8-172.822.4-31.1000110.4
245L50.1Low55.4Low135 Ų135131.7 Ų131.771%0.70767%0.67SS**  trans-45.2128.8178.9-159.583.7000109.5G243 T247G243-L245 PolarHBondContact O-N 2.91Å; L245-T247 PolarHBondContact O-N 3.13Å
246P46.7Very low53.9Low90 Ų90135.9 Ų135.958%0.58470%0.697SS**  trans-59.8128.1175.922.1-29.7000108.9W248 M249P246-W248 PolarHBondContact O-N 2.63Å; P246-M249 PolarHBondContact O-N 3.04Å
247T51.2Low52Low126 Ų126136 Ų13677%0.77371%0.705SS**G310 helixtrans-59.90.4-173.6-29.60000114.4L245L245-T247 PolarHBondContact O-N 3.13Å
248W54.2Low50.3Low235 Ų235137.5 Ų137.589%0.8972%0.719SS**G310 helixtrans-94.71.9-176.8-60.6103.2000114.2P246 E250P246-W248 PolarHBondContact O-N 2.63Å; W248-E250 VanDerWaalsContact C-N 3.33Å
249M43.2Very low49.3Very low154 Ų154145.1 Ų145.176%0.75976%0.755SS**G310 helixtrans-93.915.3174.8-135.2172.2-136.800113.6P246 T251P246-M249 PolarHBondContact O-N 3.04Å; M249-T251 VanDerWaalsContact C-N 3.32Å; M249-T251 PolarHBondContact O-N 3.37Å
250E41.6Very low47.9Very low175 Ų175147 Ų14782%0.81876%0.764SS**  trans-91.259.9166-78.8-93.616900109.5W248W248-E250 VanDerWaalsContact C-N 3.33Å
251T43.8Very low46.3Very low108 Ų108146 Ų14666%0.66377%0.771SS**  trans-115112.9160.352.70000107.3M249 R253M249-T251 VanDerWaalsContact C-N 3.32Å; M249-T251 PolarHBondContact O-N 3.37Å; T251-R253 PolarHBondContact O-N 3.05Å
252P43.5Very low45.4Very low121 Ų121150.2 Ų150.279%0.78678%0.78SS**  trans-65.811017726.1-29.5000107.5Q254P252-Q254 VanDerWaalsContact C-N 3.32Å; P252-Q254 PolarHBondContact O-N 2.84Å
253R40.8Very low44.6Very low237 Ų237148.1 Ų148.189%0.89478%0.782SS**  trans-62101.3161.1-82.3-179.9171.4160.5-2.6106.3T251 R255T251-R253 PolarHBondContact O-N 3.05Å; R253-R255 VanDerWaalsContact C-N 3.25Å; R253-R255 PolarHBondContact O-N 3.32Å
254Q42.6Very low43.9Very low187 Ų187151.8 Ų151.887%0.87480%0.796SS**  trans-58.294.3163.8-95.5-172.5-37.200107.8P252P252-Q254 VanDerWaalsContact C-N 3.32Å; P252-Q254 PolarHBondContact O-N 2.84Å
255R41.2Very low43.5Very low214 Ų214154.5 Ų154.581%0.80880%0.8SS**  trans-84.9112.7161-167.3176.8-1741200.3105.3R253 E257R253-R255 VanDerWaalsContact C-N 3.25Å; R253-R255 PolarHBondContact O-N 3.32Å; R255-E257 PolarHBondContact O-N 3.24Å
256S40.8Very low42.8Very low121 Ų121154 Ų15485%0.84680%0.802SS**  trans-60.199.6178.1-450000109.7
257E38.8Very low42.8Very low162 Ų162156.4 Ų156.476%0.75782%0.815SS**  trans-81.4114.5168.1-76.5-78.1148.800107.8R255 L259R255-E257 PolarHBondContact O-N 3.24Å; E257-L259 PolarHBondContact O-N 3.46Å
258S41.9Very low42.2Very low108 Ų108155.6 Ų155.676%0.75582%0.815SS**  trans-62.3128.5173.645.40000110.8S260S258-S260 PolarHBondContact O-N 2.84Å; S258-S260 VanDerWaalsContact O-N 3.09Å
259L49.3Very low41.4Very low185 Ų185150 Ų15097%0.96981%0.811SS**  trans-61.2102176.5-70.6159000111.5E257E257-L259 PolarHBondContact O-N 3.46Å
260S41.1Very low41.5Very low105 Ų105146.8 Ų146.873%0.73482%0.817SS**  trans-152.7122156.3171.20000109.1S258S258-S260 PolarHBondContact O-N 2.84Å; S258-S260 VanDerWaalsContact O-N 3.09Å
261S40.1Very low41Very low118 Ų118142.8 Ų142.883%0.82581%0.814SS**  trans84.672.1167.2-470000116.5
262R46.2Very low40.8Very low247 Ų247146.2 Ų146.293%0.93282%0.823SS**  trans-89.5104159.3-167-175.6-172.8-174.81.9108.7
263S35.9Very low40.4Very low108 Ų108149.1 Ų149.176%0.75583%0.826SS**  trans177.4110.7153.5-165.20000106.5
264T38.2Very low40.3Very low121 Ų121143.5 Ų143.574%0.74282%0.818SS**  -152.1134.261.435.20000110V266T264-V266 PolarHBondContact O-N 3.17Å
265M42.3Very low39.9Very low188 Ų188140 Ų14093%0.92681%0.81SS**  trans-70.8119.4161.6-77-176.6-74.100108.3
266V35.9Very low39.8Very low125 Ų125135.3 Ų135.376%0.75881%0.806SS**  trans-125.3113.3147.9179.70000106.5T264 S268T264-V266 PolarHBondContact O-N 3.17Å; V266-S268 PolarHBondContact O-N 2.89Å; V266-S268 VanDerWaalsContact O-N 3.16Å
267T46.3Very low39.6Very low140 Ų140137.3 Ų137.386%0.85980%0.802SS**  trans-50.4109.516336.20000110.3
268S37.9Very low39.6Very low109 Ų109140.7 Ų140.776%0.76281%0.808SS**  trans-128.6108.214765.40000109V266V266-S268 PolarHBondContact O-N 2.89Å; V266-S268 VanDerWaalsContact O-N 3.16Å
269S37.2Very low39.4Very low117 Ų117140.9 Ų140.982%0.81881%0.805SS**  trans-7.9137.7155.2-47.30000116.6A271S269-A271 PolarHBondContact O-N 3.42Å
270G45.3Very low39.1Very low86 Ų86139.2 Ų139.289%0.88779%0.79SS**  trans-41.7117.5-177.600000114.7
271A33Very low39.4Very low91 Ų91136.6 Ų136.675%0.75278%0.779SS**  trans-103.497.6146.700000105.7S269 Q273S269-A271 PolarHBondContact O-N 3.42Å; A271-Q273 PolarHBondContact O-N 2.99Å
272H38.1Very low39.9Very low180 Ų180132 Ų13283%0.83375%0.75SS**  trans-51.2103.5149.7-82.6-42.1000105.7T274H272-T274 PolarHBondContact O-N 3.24Å
273Q34.7Very low40.4Very low183 Ų183122.6 Ų122.686%0.85573%0.731SS**  trans-65.880.7160.4-117.3172.254.200105.1A271 T275A271-Q273 PolarHBondContact O-N 2.99Å; Q273-T275 PolarHBondContact O-N 2.91Å
274T39.3Very low41.8Very low119 Ų119125.6 Ų125.673%0.7373%0.73SS**  trans-58.396.3154510000104.1H272H272-T274 PolarHBondContact O-N 3.24Å
275T34.4Very low42.9Very low114 Ų114122.2 Ų122.270%0.69972%0.715SS**  trans-40.6130.8156.939.20000106.4Q273 H277Q273-T275 PolarHBondContact O-N 2.91Å; T275-H277 PolarHBondContact O-N 3.26Å
276P38.3Very low44Very low114 Ų114114.5 Ų114.574%0.7468%0.681SS**  trans-58.8110.7-178.123.2-29.8000105.6R278P276-R278 PolarHBondContact O-N 3.48Å
277H36.9Very low45.6Very low163 Ų163113.1 Ų113.176%0.75567%0.672SS**  trans-5694.3172.4-159.7-65.8000104.3T275 T279T275-H277 PolarHBondContact O-N 3.26Å; H277-T279 PolarHBondContact O-N 2.94Å
278R39.3Very low46.8Very low233 Ų233108.4 Ų108.488%0.87964%0.643SS**  trans-66.580.6167.1-86.5-177.2174.7161.1-0.7103.9P276 F280P276-R278 PolarHBondContact O-N 3.48Å; R278-F280 VanDerWaalsContact C-N 3.28Å; R278-F280 PolarHBondContact O-N 2.96Å
279T37.9Very low48.3Very low112 Ų112104.5 Ų104.569%0.68761%0.614SS**  trans-49.6106.1160.535.70000104.8H277 G281H277-T279 PolarHBondContact O-N 2.94Å; T279-G281 PolarHBondContact O-N 3.45Å
280F43.2Very low50.1Low150 Ų150104.6 Ų104.666%0.65860%0.604SS**  trans-50.5118.5-173.1-169.2-103.4000107.6R278 G282R278-F280 VanDerWaalsContact C-N 3.28Å; R278-F280 PolarHBondContact O-N 2.96Å; F280-G282 PolarHBondContact O-N 2.97Å
281G47.6Very low51.8Low50 Ų50102.1 Ų102.152%0.51558%0.575SS.*THydrogen-bonded Turntrans-61.33.8-179.500000114.3T279 G283 K284 A285T279-G281 PolarHBondContact O-N 3.45Å; G281-G283 VanDerWaalsContact C-N 3.31Å; G281-G283 PolarHBondContact O-N 3.12Å; G281-K284 PolarHBondContact O-N 3.21Å; G281-A285 PolarHBondContact O-N 2.86Å
282G50.8Low54.2Low21 Ų2198.2 Ų98.222%0.21654%0.542CS..Hα-helixtrans-59.9-33.1177.600000114F280 K284 A285 A286F280-G282 PolarHBondContact O-N 2.97Å; G282-K284 PolarHBondContact O-N 2.92Å; G282-A285 PolarHBondContact O-N 3.5Å; G282-A286 VanDerWaalsContact O-CB 3.31Å; G282-A286 WeakPolarHBondContact O-CB 3.34Å; G282-A286 PolarHBondContact O-N 3.48Å
283G56.9Low56.4Low50 Ų5089.8 Ų89.852%0.51550%0.504SS..Hα-helixtrans-64-40.2174.700000112.6G281 A286 V287G281-G283 VanDerWaalsContact C-N 3.31Å; G281-G283 PolarHBondContact O-N 3.12Å; G283-A286 PolarHBondContact O-N 2.71Å; G283-V287 VanDerWaalsContact O-CG2 3.26Å; G283-V287 WeakPolarHBondContact O-CG2 3.3Å; G283-V287 PolarHBondContact O-N 2.98Å
284K63.6Low58.9Low172 Ų17282.4 Ų82.475%0.74848%0.477SS*.Hα-helixtrans-71.3-40.1179.3-63.7-178.9-179.5178.60111.7G281 G282 A286 V287 V288G281-K284 PolarHBondContact O-N 3.21Å; G282-K284 PolarHBondContact O-N 2.92Å; K284-A286 VanDerWaalsContact C-N 3.35Å; K284-V287 PolarHBondContact O-N 3.35Å; K284-V288 WeakPolarHBondContact O-CG2 3.42Å; K284-V288 PolarHBondContact O-N 3.5Å
285A62.5Low61.4Low50 Ų5077.6 Ų77.641%0.41345%0.447SS..Hα-helixtrans-64.9-39.1174.800000112G281 G282 V288 L289G281-A285 PolarHBondContact O-N 2.86Å; G282-A285 PolarHBondContact O-N 3.5Å; A285-V288 PolarHBondContact O-N 3.47Å; A285-L289 WeakPolarHBondContact O-CB 3.46Å; A285-L289 WeakPolarHBondContact O-CG 3.15Å; A285-L289 PolarHBondContact O-N 3.04Å; A285-L289 VanDerWaalsContact O-N 3.08Å
286A65.3Low64.1Low26 Ų2672.5 Ų72.522%0.21542%0.415CS..Hα-helixtrans-64.6-40.6174.800000113.1M231 G282 G283 K284 L289 L290M231-A286 VanDerWaalsContact CE-CA 3.48Å; M231-A286 HydrophobicContact CE-CB 3.8Å; G282-A286 VanDerWaalsContact O-CB 3.31Å; G282-A286 WeakPolarHBondContact O-CB 3.34Å; G282-A286 PolarHBondContact O-N 3.48Å; G283-A286 PolarHBondContact O-N 2.71Å; K284-A286 VanDerWaalsContact C-N 3.35Å; A286-L289 PolarHBondContact O-N 2.92Å; A286-L290 WeakPolarHBondContact O-CG 3.28Å; A286-L290 PolarHBondContact O-N 3.3Å
287V69.9Low66.7Low96 Ų9670 Ų7058%0.58240%0.395SS*.Hα-helixtrans-63.2-45.6174.8169.20000111.5G283 K284 L289 L290 A291G283-V287 VanDerWaalsContact O-CG2 3.26Å; G283-V287 WeakPolarHBondContact O-CG2 3.3Å; G283-V287 PolarHBondContact O-N 2.98Å; K284-V287 PolarHBondContact O-N 3.35Å; V287-L289 PolarHBondContact O-N 3.39Å; V287-L290 PolarHBondContact O-N 2.84Å; V287-A291 VanDerWaalsContact O-CB 3.28Å; V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 2.87Å
288V70.6Confident69.4Low41 Ų4168.1 Ų68.125%0.24839%0.39CS..Hα-helixtrans-59.2-40.4177.2169.60000111K284 A285 A291 V292 L344K284-V288 WeakPolarHBondContact O-CG2 3.42Å; K284-V288 PolarHBondContact O-N 3.5Å; A285-V288 PolarHBondContact O-N 3.47Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 3.36Å; V288-V292 VanDerWaalsContact O-CG2 3.3Å; V288-V292 WeakPolarHBondContact O-CG2 3.36Å; V288-V292 PolarHBondContact O-N 3.21Å; V288-L344 HydrophobicContact CB-CB 4.47Å; V288-L344 HydrophobicContact CB-CD1 4.44Å; V288-L344 HydrophobicContact CG1-CB 3.69Å; V288-L344 HydrophobicContact CG1-CD1 3.96Å; V288-L344 HydrophobicContact CG1-CG 4.46Å; V288-L344 HydrophobicContact CG2-CB 3.94Å; V288-L344 HydrophobicContact CG2-CD1 4.23Å; V288-L344 HydrophobicContact CG2-CD2 4.45Å; V288-L344 HydrophobicContact CG2-CG 4.44Å
289L70.1Confident72Confident27 Ų2757.1 Ų57.114%0.14135%0.348CS..Hα-helixtrans-70.8-45.5179.3-78.9166.7000112Y228 M231 A285 A286 V287 A291 V292 G293Y228-L289 HydrophobicContact CD1-CB 4.11Å; Y228-L289 HydrophobicContact CE1-CB 3.63Å; Y228-L289 HydrophobicContact CE1-CD2 4.16Å; Y228-L289 HydrophobicContact CE1-CG 4.46Å; Y228-L289 VanDerWaalsContact CE1-O 3.25Å; Y228-L289 WeakPolarHBondContact CE1-O 3.42Å; Y228-L289 PolarHBondContact OH-O 3.49Å; M231-L289 HydrophobicContact CE-CB 3.98Å; M231-L289 HydrophobicContact CE-CD1 3.42Å; M231-L289 VanDerWaalsContact CE-CD1 3.42Å; M231-L289 HydrophobicContact CE-CG 4.33Å; M231-L289 HydrophobicContact SD-CD1 3.05Å; M231-L289 WeakPolarHBondContact SD-CD1 3.49Å; M231-L289 HydrophobicContact SD-CG 4.41Å; A285-L289 WeakPolarHBondContact O-CB 3.46Å; A285-L289 WeakPolarHBondContact O-CG 3.15Å; A285-L289 PolarHBondContact O-N 3.04Å; A285-L289 VanDerWaalsContact O-N 3.08Å; A286-L289 PolarHBondContact O-N 2.92Å; V287-L289 PolarHBondContact O-N 3.39Å; L289-A291 PolarHBondContact O-N 3.05Å; L289-V292 WeakPolarHBondContact O-CB 3.48Å; L289-V292 PolarHBondContact O-N 2.94Å; L289-V292 VanDerWaalsContact O-N 3.11Å; L289-G293 PolarHBondContact O-N 2.89Å; L289-G293 VanDerWaalsContact O-N 3.17Å
290L75.3Confident74.7Confident118 Ų11851.9 Ų51.962%0.61832%0.316SS*.Hα-helixtrans-54.5-39.6170.4-79.8164.7000111.9A286 V287 G293 G294A286-L290 WeakPolarHBondContact O-CG 3.28Å; A286-L290 PolarHBondContact O-N 3.3Å; V287-L290 PolarHBondContact O-N 2.84Å; L290-G293 PolarHBondContact O-N 3.48Å; L290-G294 PolarHBondContact O-N 3.49Å
291A80.4Confident77.2Confident34 Ų3448.5 Ų48.528%0.28130%0.304SS..Hα-helixtrans-66.3-40.917900000111.8V287 V288 L289 G293 Q295 F340V287-A291 VanDerWaalsContact O-CB 3.28Å; V287-A291 WeakPolarHBondContact O-CB 3.36Å; V287-A291 PolarHBondContact O-N 2.87Å; V288-A291 WeakPolarHBondContact O-CB 3.46Å; V288-A291 PolarHBondContact O-N 3.36Å; L289-A291 PolarHBondContact O-N 3.05Å; A291-G293 PolarHBondContact O-N 3.47Å; A291-Q295 WeakPolarHBondContact O-CB 3.34Å; A291-Q295 PolarHBondContact O-N 2.89Å; A291-F340 HydrophobicContact CB-CD1 4.16Å; A291-F340 HydrophobicContact CB-CE1 3.7Å; A291-F340 VanDerWaalsContact O-CE1 3.3Å; A291-F340 WeakPolarHBondContact O-CE1 3.35Å
292V82.8Confident79.4Confident9 Ų948.3 Ų48.36%0.05529%0.294CS..Hα-helixtrans-60.5-43.5175.7169.20000112.1V288 L289 Q295 F296 F340 Y341V288-V292 VanDerWaalsContact O-CG2 3.3Å; V288-V292 WeakPolarHBondContact O-CG2 3.36Å; V288-V292 PolarHBondContact O-N 3.21Å; L289-V292 WeakPolarHBondContact O-CB 3.48Å; L289-V292 PolarHBondContact O-N 2.94Å; L289-V292 VanDerWaalsContact O-N 3.11Å; V292-Q295 WeakPolarHBondContact O-CB 3.32Å; V292-Q295 PolarHBondContact O-N 3.47Å; V292-F296 PolarHBondContact O-N 3.02Å; V292-F296 VanDerWaalsContact O-N 3.16Å; V292-F340 HydrophobicContact CG2-CB 4.04Å; V292-F340 HydrophobicContact CG2-CD1 4.17Å; V292-F340 HydrophobicContact CG2-CG 4.49Å; V292-Y341 HydrophobicContact CG1-CE1 3.92Å; V292-Y341 WeakPolarHBondContact CG1-OH 3.44Å; V292-Y341 HydrophobicContact CG2-CE1 4.37Å
293G84.5Confident81.4Confident4 Ų447.6 Ų47.64%0.04129%0.285CS..Hα-helixtrans-79.6-33.8-17700000112.6Y228 L289 L290 A291 Q295 F296 L297Y228-G293 WeakPolarHBondContact OH-CA 3.49Å; Y228-G293 PolarHBondContact OH-N 2.86Å; L289-G293 PolarHBondContact O-N 2.89Å; L289-G293 VanDerWaalsContact O-N 3.17Å; L290-G293 PolarHBondContact O-N 3.48Å; A291-G293 PolarHBondContact O-N 3.47Å; G293-Q295 VanDerWaalsContact C-N 3.26Å; G293-Q295 PolarHBondContact O-N 2.94Å; G293-F296 PolarHBondContact O-N 2.95Å; G293-L297 PolarHBondContact O-N 2.87Å; G293-L297 VanDerWaalsContact O-N 3.1Å
294G87.3Confident83.2Confident28 Ų2845.5 Ų45.529%0.28926%0.262SS..Hα-helixtrans-57-43.6166.500000111L290 F296 L297 L298L290-G294 PolarHBondContact O-N 3.49Å; G294-F296 PolarHBondContact O-N 3Å; G294-L297 PolarHBondContact O-N 3.26Å; G294-L298 WeakPolarHBondContact O-CB 3.21Å; G294-L298 VanDerWaalsContact O-CG 3.23Å; G294-L298 WeakPolarHBondContact O-CG 3.17Å; G294-L298 PolarHBondContact O-N 3.4Å
295Q91Very high84.6Confident18 Ų1840 Ų408%0.08424%0.244CC..Hα-helixtrans-61.1-45.8177.3-176.762.47.400112.7A291 V292 G293 L297 L298 C299 F332 S336 F340A291-Q295 WeakPolarHBondContact O-CB 3.34Å; A291-Q295 PolarHBondContact O-N 2.89Å; V292-Q295 WeakPolarHBondContact O-CB 3.32Å; V292-Q295 PolarHBondContact O-N 3.47Å; G293-Q295 VanDerWaalsContact C-N 3.26Å; G293-Q295 PolarHBondContact O-N 2.94Å; Q295-L297 VanDerWaalsContact C-N 3.31Å; Q295-L297 PolarHBondContact O-N 2.96Å; Q295-L298 PolarHBondContact O-N 2.9Å; Q295-C299 VanDerWaalsContact CD-SG 3.58Å; Q295-C299 PolarHBondContact NE2-SG 2.72Å; Q295-C299 PolarHBondContact O-N 3.31Å; Q295-C299 PolarHBondContact O-SG 2.92Å; Q295-F332 VanDerWaalsContact NE2-CE1 3.3Å; Q295-S336 PolarHBondContact NE2-OG 3.07Å; Q295-F340 HydrophobicContact CB-CD2 4.08Å; Q295-F340 HydrophobicContact CB-CE1 4.11Å; Q295-F340 HydrophobicContact CB-CE2 3.64Å; Q295-F340 HydrophobicContact CB-CZ 3.65Å; Q295-F340 HydrophobicContact CG-CD2 3.75Å; Q295-F340 HydrophobicContact CG-CE2 3.35Å; Q295-F340 HydrophobicContact CG-CZ 3.9Å
296F92.3Very high85.9Confident6 Ų638.6 Ų38.63%0.02623%0.229CC..Hα-helixtrans-56.5-47.8176.5-178.5-91.6000111.1I130 V133 F217 P220 L221 I224 V292 G293 G294 W300I130-F296 HydrophobicContact CG1-CE2 4.25Å; I130-F296 HydrophobicContact CG2-CE2 4.19Å; I130-F296 HydrophobicContact CG2-CZ 4.5Å; V133-F296 HydrophobicContact CG1-CD2 4.3Å; F217-F296 HydrophobicContact CD2-CE1 4.04Å; F217-F296 HydrophobicContact CD2-CZ 4.49Å; F217-F296 HydrophobicContact CE2-CE1 4.36Å; P220-F296 HydrophobicContact CB-CE1 4.22Å; P220-F296 HydrophobicContact CB-CE2 4.12Å; P220-F296 HydrophobicContact CB-CZ 3.63Å; P220-F296 HydrophobicContact CG-CZ 4.39Å; L221-F296 HydrophobicContact CB-CE1 4.39Å; I224-F296 HydrophobicContact CD1-CB 3.88Å; I224-F296 HydrophobicContact CD1-CD1 3.81Å; I224-F296 HydrophobicContact CD1-CD2 4.11Å; I224-F296 HydrophobicContact CD1-CE1 4.43Å; I224-F296 HydrophobicContact CD1-CG 3.64Å; V292-F296 PolarHBondContact O-N 3.02Å; V292-F296 VanDerWaalsContact O-N 3.16Å; G293-F296 PolarHBondContact O-N 2.95Å; G294-F296 PolarHBondContact O-N 3Å; F296-W300 AromaticContact CD2-CD1 3.39Å; F296-W300 HydrophobicContact CD2-CG 4.44Å; F296-W300 AromaticContact CD2-NE1 3.87Å; F296-W300 AromaticContact CE2-CD1 3.47Å; F296-W300 VanDerWaalsContact CE2-CD1 3.47Å; F296-W300 HydrophobicContact CE2-CG 4.22Å; F296-W300 AromaticContact CE2-NE1 3.96Å; F296-W300 AromaticContact CG-CD1 3.9Å; F296-W300 HydrophobicContact CZ-CG 4.44Å; F296-W300 VanDerWaalsContact O-CB 3.31Å; F296-W300 WeakPolarHBondContact O-CB 3.47Å; F296-W300 PolarHBondContact O-N 3.26Å
297L92.9Very high86.9Confident63 Ų6337.8 Ų37.833%0.3322%0.221SC..Hα-helixtrans-62.6-47.7177.7-80.4171.7000112.4F217 L221 G293 G294 Q295 C299 L301F217-L297 HydrophobicContact CE2-CD2 4.31Å; F217-L297 HydrophobicContact CZ-CD2 4.35Å; L221-L297 HydrophobicContact CD1-CD1 4.09Å; L221-L297 HydrophobicContact CD1-CD2 3.43Å; L221-L297 VanDerWaalsContact CD1-CD2 3.43Å; L221-L297 HydrophobicContact CD1-CG 3.8Å; L221-L297 HydrophobicContact CD2-CD2 3.98Å; L221-L297 HydrophobicContact CG-CD2 4.33Å; G293-L297 PolarHBondContact O-N 2.87Å; G293-L297 VanDerWaalsContact O-N 3.1Å; G294-L297 PolarHBondContact O-N 3.26Å; Q295-L297 VanDerWaalsContact C-N 3.31Å; Q295-L297 PolarHBondContact O-N 2.96Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.01Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 3.01Å
298L92.9Very high87.9Confident123 Ų12335.9 Ų35.964%0.64421%0.207SC*.Hα-helixtrans-64.2-36.3-175.8-71.1171.6000112.8G294 Q295 P302G294-L298 WeakPolarHBondContact O-CB 3.21Å; G294-L298 VanDerWaalsContact O-CG 3.23Å; G294-L298 WeakPolarHBondContact O-CG 3.17Å; G294-L298 PolarHBondContact O-N 3.4Å; Q295-L298 PolarHBondContact O-N 2.9Å; L298-P302 WeakPolarHBondContact O-CD 3.45Å
299C93.8Very high88.7Confident1 Ų140.2 Ų40.21%0.00722%0.22CC..Hα-helixtrans-80.3-44.2179-58.80000112.3Q295 L297 G330 C333Q295-C299 VanDerWaalsContact CD-SG 3.58Å; Q295-C299 PolarHBondContact NE2-SG 2.72Å; Q295-C299 PolarHBondContact O-N 3.31Å; Q295-C299 PolarHBondContact O-SG 2.92Å; L297-C299 VanDerWaalsContact C-N 3.33Å; L297-C299 PolarHBondContact O-N 3.01Å; C299-G330 WeakPolarHBondContact O-CA 3.44Å; C299-C333 HydrophobicContact CB-CB 3.99Å
300W95.1Very high89.3Confident3 Ų340 Ų401%0.01122%0.22CC..Hα-helixtrans-94.5-31.4-167-63.5114.1000113.5V126 I130 F217 F296 Y303 F304 C333V126-W300 HydrophobicContact CB-CH2 4.2Å; V126-W300 HydrophobicContact CB-CZ3 4.33Å; V126-W300 HydrophobicContact CG1-CE3 4.34Å; V126-W300 HydrophobicContact CG1-CH2 3.69Å; V126-W300 HydrophobicContact CG1-CZ3 3.5Å; V126-W300 VanDerWaalsContact CG1-CZ3 3.5Å; V126-W300 HydrophobicContact CG2-CH2 3.92Å; V126-W300 HydrophobicContact CG2-CZ3 4Å; I130-W300 HydrophobicContact CD1-CD2 3.99Å; I130-W300 HydrophobicContact CD1-CE3 4.1Å; I130-W300 HydrophobicContact CD1-CH2 4.33Å; I130-W300 HydrophobicContact CD1-CZ2 4.19Å; I130-W300 HydrophobicContact CD1-CZ3 4.28Å; I130-W300 HydrophobicContact CG1-CD2 4.3Å; I130-W300 HydrophobicContact CG1-CH2 4.47Å; I130-W300 HydrophobicContact CG1-CZ2 3.93Å; F217-W300 HydrophobicContact CD2-CB 4.15Å; F217-W300 HydrophobicContact CE2-CB 4.5Å; F296-W300 AromaticContact CD2-CD1 3.39Å; F296-W300 HydrophobicContact CD2-CG 4.44Å; F296-W300 AromaticContact CD2-NE1 3.87Å; F296-W300 AromaticContact CE2-CD1 3.47Å; F296-W300 VanDerWaalsContact CE2-CD1 3.47Å; F296-W300 HydrophobicContact CE2-CG 4.22Å; F296-W300 AromaticContact CE2-NE1 3.96Å; F296-W300 AromaticContact CG-CD1 3.9Å; F296-W300 HydrophobicContact CZ-CG 4.44Å; F296-W300 VanDerWaalsContact O-CB 3.31Å; F296-W300 WeakPolarHBondContact O-CB 3.47Å; F296-W300 PolarHBondContact O-N 3.26Å; W300-Y303 HydrophobicContact CE3-CD1 4.35Å; W300-Y303 PolarHBondContact O-N 3Å; W300-F304 HydrophobicContact CB-CD2 3.85Å; W300-F304 HydrophobicContact CB-CE2 3.9Å; W300-F304 HydrophobicContact CD2-CE2 4.19Å; W300-F304 HydrophobicContact CE3-CD2 4.44Å; W300-F304 AromaticContact CE3-CE2 3.79Å; W300-F304 HydrophobicContact CE3-CE2 3.79Å; W300-F304 HydrophobicContact CG-CE2 4.27Å; W300-F304 VanDerWaalsContact O-CD2 3.24Å; W300-F304 WeakPolarHBondContact O-CD2 3.4Å; W300-F304 PolarHBondContact O-N 3.44Å; W300-C333 HydrophobicContact CH2-CB 4.5Å; W300-C333 HydrophobicContact CZ2-CB 3.65Å; W300-C333 PolarHBondContact NE1-SG 3.36Å; W300-C333 VanDerWaalsContact NE1-SG 3.42Å
301L95.1Very high89.7Confident79 Ų7935 Ų3541%0.41420%0.195SC..Hα-helixtrans-56.4-47.3-179176.870.1000112.4F217 L297 Y303 S305F217-L301 HydrophobicContact CE1-CD1 4.05Å; F217-L301 HydrophobicContact CE2-CB 4.11Å; F217-L301 HydrophobicContact CE2-CD1 4.32Å; F217-L301 HydrophobicContact CZ-CB 4.09Å; F217-L301 HydrophobicContact CZ-CD1 3.47Å; F217-L301 VanDerWaalsContact CZ-CD1 3.47Å; F217-L301 HydrophobicContact CZ-CG 4.39Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 PolarHBondContact O-N 3.01Å; L301-Y303 PolarHBondContact O-N 3.35Å; L301-S305 WeakPolarHBondContact CD1-OG 3.29Å; L301-S305 WeakPolarHBondContact O-CB 3.36Å; L301-S305 PolarHBondContact O-N 3.19Å; L301-S305 PolarHBondContact O-OG 3.39Å
302P95.1Very high89.8Confident45 Ų4538.5 Ų38.529%0.29221%0.209SC..Hα-helixtrans-62.9-43.7-180-2336.3000112.4L298 F306 V326 I329L298-P302 WeakPolarHBondContact O-CD 3.45Å; P302-F306 VanDerWaalsContact O-CB 3.3Å; P302-F306 WeakPolarHBondContact O-CB 3.48Å; P302-F306 PolarHBondContact O-N 3.36Å; P302-V326 HydrophobicContact CB-CG1 4.21Å; P302-I329 HydrophobicContact CB-CG2 4.47Å; P302-I329 HydrophobicContact CG-CG2 4.11Å
303Y92.7Very high89.6Confident6 Ų639.4 Ų39.42%0.02422%0.216CC..Hα-helixtrans-60.3-56.1179.2179-96.1000112.1W300 L301 S305 F306 H307W300-Y303 HydrophobicContact CE3-CD1 4.35Å; W300-Y303 PolarHBondContact O-N 3Å; L301-Y303 PolarHBondContact O-N 3.35Å; Y303-S305 PolarHBondContact O-N 2.92Å; Y303-F306 PolarHBondContact O-N 2.95Å; Y303-H307 AromaticContact CD2-CD2 3.79Å; Y303-H307 AromaticContact CD2-NE2 3.75Å; Y303-H307 AromaticContact CE1-CD2 3.77Å; Y303-H307 AromaticContact CE2-CD2 3.49Å; Y303-H307 VanDerWaalsContact CE2-CD2 3.49Å; Y303-H307 WeakPolarHBondContact CE2-CD2 3.29Å; Y303-H307 AromaticContact CE2-NE2 3.17Å; Y303-H307 WeakPolarHBondContact CE2-NE2 3.31Å; Y303-H307 AromaticContact CZ-CD2 3.47Å; Y303-H307 VanDerWaalsContact CZ-CD2 3.47Å; Y303-H307 AromaticContact CZ-NE2 3.46Å; Y303-H307 PolarHBondContact O-CD2 3.15Å; Y303-H307 VanDerWaalsContact O-CD2 3.24Å; Y303-H307 PolarHBondContact O-N 3.45Å; Y303-H307 VanDerWaalsContact O-N 3.12Å
304F93.9Very high88.7Confident7 Ų742.7 Ų42.73%0.03124%0.242CC..Hα-helixtrans-68-35.8-178.6-75.5-77.4000112.2I130 F212 A213 F217 W300 L308I130-F304 HydrophobicContact CD1-CE2 3.91Å; I130-F304 HydrophobicContact CD1-CZ 3.82Å; F212-F304 HydrophobicContact CD1-CD1 4.39Å; F212-F304 AromaticContact CD1-CE1 3.57Å; F212-F304 HydrophobicContact CD1-CE1 3.57Å; F212-F304 HydrophobicContact CD1-CZ 4.41Å; F212-F304 AromaticContact CE1-CE1 3.53Å; F212-F304 HydrophobicContact CE1-CE1 3.53Å; F212-F304 AromaticContact CE1-CZ 3.95Å; F212-F304 HydrophobicContact CE1-CZ 3.95Å; A213-F304 HydrophobicContact CB-CD1 3.99Å; F217-F304 HydrophobicContact CB-CB 4.14Å; F217-F304 HydrophobicContact CB-CD1 3.96Å; F217-F304 HydrophobicContact CB-CD2 3.53Å; F217-F304 HydrophobicContact CB-CE1 4.19Å; F217-F304 HydrophobicContact CB-CE2 3.82Å; F217-F304 HydrophobicContact CB-CG 3.61Å; F217-F304 HydrophobicContact CB-CZ 4.14Å; F217-F304 HydrophobicContact CD1-CB 4.29Å; F217-F304 HydrophobicContact CD2-CB 4.48Å; F217-F304 AromaticContact CD2-CD2 3.81Å; F217-F304 HydrophobicContact CD2-CD2 3.81Å; F217-F304 HydrophobicContact CD2-CE2 4.43Å; F217-F304 HydrophobicContact CD2-CG 4.38Å; F217-F304 HydrophobicContact CG-CB 4.05Å; F217-F304 AromaticContact CG-CD2 3.83Å; F217-F304 HydrophobicContact CG-CD2 3.83Å; F217-F304 HydrophobicContact CG-CE2 4.49Å; F217-F304 AromaticContact CG-CG 3.98Å; F217-F304 HydrophobicContact CG-CG 3.98Å; W300-F304 HydrophobicContact CB-CD2 3.85Å; W300-F304 HydrophobicContact CB-CE2 3.9Å; W300-F304 HydrophobicContact CD2-CE2 4.19Å; W300-F304 HydrophobicContact CE3-CD2 4.44Å; W300-F304 AromaticContact CE3-CE2 3.79Å; W300-F304 HydrophobicContact CE3-CE2 3.79Å; W300-F304 HydrophobicContact CG-CE2 4.27Å; W300-F304 VanDerWaalsContact O-CD2 3.24Å; W300-F304 WeakPolarHBondContact O-CD2 3.4Å; W300-F304 PolarHBondContact O-N 3.44Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.35Å
305S92.6Very high87.3Confident55 Ų5548 Ų4839%0.38526%0.259SS..Hα-helixtrans-64.7-43177.3-59.20000111.5L301 Y303 Y309L301-S305 WeakPolarHBondContact CD1-OG 3.29Å; L301-S305 WeakPolarHBondContact O-CB 3.36Å; L301-S305 PolarHBondContact O-N 3.19Å; L301-S305 PolarHBondContact O-OG 3.39Å; Y303-S305 PolarHBondContact O-N 2.92Å; S305-Y309 WeakPolarHBondContact O-CB 3.24Å; S305-Y309 PolarHBondContact O-N 3.46Å
306F90.4Very high85.6Confident21 Ų2152.5 Ų52.59%0.09229%0.29CS..Hα-helixtrans-61.9-53.1177.2173.6-97.7000111.6P302 Y303 L308 Y309 V310 T319 V322 E323 V326P302-F306 VanDerWaalsContact O-CB 3.3Å; P302-F306 WeakPolarHBondContact O-CB 3.48Å; P302-F306 PolarHBondContact O-N 3.36Å; Y303-F306 PolarHBondContact O-N 2.95Å; F306-L308 VanDerWaalsContact C-N 3.32Å; F306-L308 PolarHBondContact O-N 3.04Å; F306-Y309 PolarHBondContact O-N 3.1Å; F306-V310 HydrophobicContact CD2-CG2 4.34Å; F306-V310 HydrophobicContact CE1-CG2 4.17Å; F306-V310 HydrophobicContact CE2-CG2 3.99Å; F306-V310 HydrophobicContact CZ-CG2 3.9Å; F306-V310 VanDerWaalsContact O-CB 3.31Å; F306-V310 WeakPolarHBondContact O-CB 3.14Å; F306-V310 VanDerWaalsContact O-CG2 3.25Å; F306-V310 WeakPolarHBondContact O-CG2 3.3Å; F306-V310 PolarHBondContact O-N 3.13Å; F306-T319 HydrophobicContact CE2-CG2 3.94Å; F306-T319 HydrophobicContact CZ-CG2 4.23Å; F306-T319 WeakPolarHBondContact CZ-OG1 3.19Å; F306-V322 HydrophobicContact CD2-CG1 3.68Å; F306-V322 HydrophobicContact CE2-CB 3.99Å; F306-V322 HydrophobicContact CE2-CG1 3.61Å; F306-E323 HydrophobicContact CE1-CB 3.63Å; F306-E323 HydrophobicContact CE1-CG 3.89Å; F306-E323 HydrophobicContact CZ-CB 3.8Å; F306-V326 HydrophobicContact CB-CB 4.48Å; F306-V326 HydrophobicContact CB-CG1 4.23Å; F306-V326 HydrophobicContact CB-CG2 3.95Å; F306-V326 HydrophobicContact CD1-CG2 3.73Å; F306-V326 HydrophobicContact CE1-CG2 4.43Å; F306-V326 HydrophobicContact CG-CG2 3.86Å
307H87.3Confident84Confident9 Ų956.3 Ų56.34%0.04231%0.31CS..Hα-helixtrans-64.8-35.7-179.3-73.7-64.4000112.6V209 Y303 A311 E323V209-H307 HydrophobicContact CG1-CB 4.25Å; Y303-H307 AromaticContact CD2-CD2 3.79Å; Y303-H307 AromaticContact CD2-NE2 3.75Å; Y303-H307 AromaticContact CE1-CD2 3.77Å; Y303-H307 AromaticContact CE2-CD2 3.49Å; Y303-H307 VanDerWaalsContact CE2-CD2 3.49Å; Y303-H307 WeakPolarHBondContact CE2-CD2 3.29Å; Y303-H307 AromaticContact CE2-NE2 3.17Å; Y303-H307 WeakPolarHBondContact CE2-NE2 3.31Å; Y303-H307 AromaticContact CZ-CD2 3.47Å; Y303-H307 VanDerWaalsContact CZ-CD2 3.47Å; Y303-H307 AromaticContact CZ-NE2 3.46Å; Y303-H307 PolarHBondContact O-CD2 3.15Å; Y303-H307 VanDerWaalsContact O-CD2 3.24Å; Y303-H307 PolarHBondContact O-N 3.45Å; Y303-H307 VanDerWaalsContact O-N 3.12Å; H307-A311 VanDerWaalsContact O-CB 3.25Å; H307-A311 WeakPolarHBondContact O-CB 3.49Å; H307-A311 PolarHBondContact O-N 2.96Å; H307-E323 IonicContact CE1-OE1 3.56Å
308L90Very high82.3Confident56 Ų5659.5 Ų59.529%0.29334%0.338SS..Hα-helixtrans-68.7-45.3175.2-170.167.8000111.7V210 F304 F306 V310 A311 L312V210-L308 HydrophobicContact CG2-CD1 3.81Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.35Å; F306-L308 VanDerWaalsContact C-N 3.32Å; F306-L308 PolarHBondContact O-N 3.04Å; L308-V310 VanDerWaalsContact C-N 3.32Å; L308-V310 PolarHBondContact O-N 3.26Å; L308-A311 PolarHBondContact O-N 2.93Å; L308-L312 HydrophobicContact CD1-CD1 4.12Å; L308-L312 HydrophobicContact CD1-CG 4.41Å; L308-L312 HydrophobicContact CG-CD1 3.9Å; L308-L312 HydrophobicContact CG-CG 4.48Å; L308-L312 WeakPolarHBondContact O-CB 3.37Å; L308-L312 VanDerWaalsContact O-CG 3.23Å; L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.38Å
309Y88.4Confident81.1Confident132 Ų13254.3 Ų54.352%0.51831%0.311SS..Hα-helixtrans-57.7-48.1177.2172.5-99.2000110.9S305 F306 L312 S313 I317S305-Y309 WeakPolarHBondContact O-CB 3.24Å; S305-Y309 PolarHBondContact O-N 3.46Å; F306-Y309 PolarHBondContact O-N 3.1Å; Y309-L312 PolarHBondContact O-N 3.37Å; Y309-S313 WeakPolarHBondContact CE2-OG 3.42Å; Y309-S313 WeakPolarHBondContact O-CB 3.4Å; Y309-S313 PolarHBondContact O-N 3.37Å; Y309-S313 PolarHBondContact O-OG 2.64Å; Y309-I317 HydrophobicContact CE1-CD1 4.1Å
310V82.3Confident80.1Confident24 Ų2456.6 Ų56.615%0.14534%0.335CS..Hα-helixtrans-61.2-46.1176.9157.90000112Q198 F306 L308 L312 S313Q198-V310 HydrophobicContact CG-CG1 3.4Å; Q198-V310 VanDerWaalsContact NE2-CG2 3.26Å; F306-V310 HydrophobicContact CD2-CG2 4.34Å; F306-V310 HydrophobicContact CE1-CG2 4.17Å; F306-V310 HydrophobicContact CE2-CG2 3.99Å; F306-V310 HydrophobicContact CZ-CG2 3.9Å; F306-V310 VanDerWaalsContact O-CB 3.31Å; F306-V310 WeakPolarHBondContact O-CB 3.14Å; F306-V310 VanDerWaalsContact O-CG2 3.25Å; F306-V310 WeakPolarHBondContact O-CG2 3.3Å; F306-V310 PolarHBondContact O-N 3.13Å; L308-V310 VanDerWaalsContact C-N 3.32Å; L308-V310 PolarHBondContact O-N 3.26Å; V310-L312 VanDerWaalsContact C-N 3.27Å; V310-L312 PolarHBondContact O-N 3.06Å; V310-S313 PolarHBondContact O-N 3.46Å; V310-S313 VanDerWaalsContact O-O 3.04Å
311A82.1Confident79.3Confident12 Ų1263.8 Ų63.810%0.09937%0.368CS..Hα-helixtrans-62.7-38.7-179.200000111.2Q206 V209 H307 L308Q206-A311 VanDerWaalsContact CG-O 3.31Å; Q206-A311 WeakPolarHBondContact CG-O 3.43Å; Q206-A311 PolarHBondContact NE2-O 2.91Å; V209-A311 HydrophobicContact CB-CB 3.94Å; V209-A311 HydrophobicContact CG1-CB 3.81Å; V209-A311 HydrophobicContact CG2-CB 4.27Å; H307-A311 VanDerWaalsContact O-CB 3.25Å; H307-A311 WeakPolarHBondContact O-CB 3.49Å; H307-A311 PolarHBondContact O-N 2.96Å; L308-A311 PolarHBondContact O-N 2.93Å
312L84.3Confident78.8Confident108 Ų10863.7 Ų63.757%0.56537%0.371SS*.Hα-helixtrans-82.9-28.5-178.3-62.4176000113.3V210 L308 Y309 V310 A314V210-L312 HydrophobicContact CG2-CD2 4.4Å; L308-L312 HydrophobicContact CD1-CD1 4.12Å; L308-L312 HydrophobicContact CD1-CG 4.41Å; L308-L312 HydrophobicContact CG-CD1 3.9Å; L308-L312 HydrophobicContact CG-CG 4.48Å; L308-L312 WeakPolarHBondContact O-CB 3.37Å; L308-L312 VanDerWaalsContact O-CG 3.23Å; L308-L312 WeakPolarHBondContact O-CG 3.38Å; L308-L312 PolarHBondContact O-N 3.38Å; Y309-L312 PolarHBondContact O-N 3.37Å; V310-L312 VanDerWaalsContact C-N 3.27Å; V310-L312 PolarHBondContact O-N 3.06Å; L312-A314 PolarHBondContact O-N 2.85Å
313S78.1Confident78.3Confident28 Ų2862.8 Ų62.820%0.19636%0.363CS..  trans-88.8107.5-179.6-54.60000109.2Y309 V310 Q315Y309-S313 WeakPolarHBondContact CE2-OG 3.42Å; Y309-S313 WeakPolarHBondContact O-CB 3.4Å; Y309-S313 PolarHBondContact O-N 3.37Å; Y309-S313 PolarHBondContact O-OG 2.64Å; V310-S313 PolarHBondContact O-N 3.46Å; V310-S313 VanDerWaalsContact O-O 3.04Å; S313-Q315 PolarHBondContact O-N 3.47Å
314A64.7Low78Confident73 Ų7364.9 Ų64.960%0.60337%0.374SS*.  trans-68.525.917700000114.4L312L312-A314 PolarHBondContact O-N 2.85Å
315Q58.8Low77.8Confident138 Ų13868.4 Ų68.465%0.64540%0.396SS*.  trans-108.9126.5-175.2-66.7-63.9-29.500110.6S313 I317S313-Q315 PolarHBondContact O-N 3.47Å; Q315-I317 PolarHBondContact O-N 3.4Å
316P55.7Low77.7Confident113 Ų11366.4 Ų66.473%0.73438%0.382SS*.  trans-76.988.7176.931.2-32.2000109.3
317I57.5Low77.8Confident86 Ų8665.8 Ų65.844%0.44138%0.379SS..  trans-88.7128.3169.9-54.1174.2000107.1Y309 Q315 T319Y309-I317 HydrophobicContact CE1-CD1 4.1Å; Q315-I317 PolarHBondContact O-N 3.4Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 HydrophobicContact CB-CG2 3.64Å; I317-T319 HydrophobicContact CG2-CG2 3.41Å; I317-T319 VanDerWaalsContact CG2-CG2 3.41Å; I317-T319 PolarHBondContact O-N 2.75Å; I317-T319 PolarHBondContact O-OG1 2.75Å
318S56.6Low78.1Confident130 Ų13066.2 Ų66.291%0.90938%0.381SS*.  trans-66.791.9168.7-177.10000108.9
319T67.9Low78.3Confident15 Ų1566.7 Ų66.79%0.09238%0.383CS..  trans-110.911.8-170.8500000114.7Q198 F306 I317 Q321 V322 E323Q198-T319 PolarHBondContact NE2-OG1 3.43Å; F306-T319 HydrophobicContact CE2-CG2 3.94Å; F306-T319 HydrophobicContact CZ-CG2 4.23Å; F306-T319 WeakPolarHBondContact CZ-OG1 3.19Å; I317-T319 VanDerWaalsContact C-N 3.32Å; I317-T319 HydrophobicContact CB-CG2 3.64Å; I317-T319 HydrophobicContact CG2-CG2 3.41Å; I317-T319 VanDerWaalsContact CG2-CG2 3.41Å; I317-T319 PolarHBondContact O-N 2.75Å; I317-T319 PolarHBondContact O-OG1 2.75Å; T319-Q321 VanDerWaalsContact C-N 3.27Å; T319-Q321 PolarHBondContact O-N 3.16Å; T319-Q321 VanDerWaalsContact O-N 3.12Å; T319-V322 WeakPolarHBondContact O-CA 3.44Å; T319-V322 PolarHBondContact O-N 3.3Å; T319-E323 PolarHBondContact O-N 2.8Å
320G73.3Confident78.5Confident48 Ų4860.4 Ų60.450%0.49536%0.358SS..Hα-helixtrans-52.4-41.1-171.900000114.3N324G320-N324 WeakPolarHBondContact O-CB 3.25Å; G320-N324 PolarHBondContact O-N 3.35Å
321Q78.4Confident79.1Confident155 Ų15559.3 Ų59.372%0.72435%0.351SS*.Hα-helixtrans-66.1-42.1175.8-66.4-62.9-30.800112.7T319 N324 V325T319-Q321 VanDerWaalsContact C-N 3.27Å; T319-Q321 PolarHBondContact O-N 3.16Å; T319-Q321 VanDerWaalsContact O-N 3.12Å; Q321-N324 PolarHBondContact O-N 3.47Å; Q321-V325 VanDerWaalsContact O-CG2 3.3Å; Q321-V325 WeakPolarHBondContact O-CG2 2.98Å; Q321-V325 PolarHBondContact O-N 2.9Å
322V84.7Confident79.8Confident76 Ų7662.8 Ų62.846%0.46136%0.364SS..Hα-helixtrans-67.4-42.5178.6-178.30000110.4F306 T319 N324 V325 V326F306-V322 HydrophobicContact CD2-CG1 3.68Å; F306-V322 HydrophobicContact CE2-CB 3.99Å; F306-V322 HydrophobicContact CE2-CG1 3.61Å; T319-V322 WeakPolarHBondContact O-CA 3.44Å; T319-V322 PolarHBondContact O-N 3.3Å; V322-N324 PolarHBondContact O-N 3.39Å; V322-V325 PolarHBondContact O-N 3.48Å; V322-V326 HydrophobicContact CG1-CG1 4.37Å; V322-V326 WeakPolarHBondContact O-CG1 3.35Å; V322-V326 WeakPolarHBondContact O-CG2 3.5Å; V322-V326 PolarHBondContact O-N 3.09Å
323E84.3Confident80.2Confident27 Ų2757.8 Ų57.813%0.12634%0.339CS..Hα-helixtrans-58.9-47176-177.5172.5-168.700111.4S196 L197 F306 H307 T319 V325 V326 T327S196-E323 VanDerWaalsContact CB-OE2 3.3Å; S196-E323 WeakPolarHBondContact CB-OE2 3.43Å; S196-E323 PolarHBondContact OG-OE1 3.01Å; S196-E323 PolarHBondContact OG-OE2 3.34Å; L197-E323 PolarHBondContact N-OE1 2.83Å; F306-E323 HydrophobicContact CE1-CB 3.63Å; F306-E323 HydrophobicContact CE1-CG 3.89Å; F306-E323 HydrophobicContact CZ-CB 3.8Å; H307-E323 IonicContact CE1-OE1 3.56Å; T319-E323 PolarHBondContact O-N 2.8Å; E323-V325 PolarHBondContact O-N 3.38Å; E323-V326 VanDerWaalsContact O-CG2 3.3Å; E323-V326 WeakPolarHBondContact O-CG2 3.24Å; E323-V326 PolarHBondContact O-N 3.14Å; E323-T327 VanDerWaalsContact O-CB 3.25Å; E323-T327 WeakPolarHBondContact O-CB 3.47Å; E323-T327 PolarHBondContact O-N 2.85Å; E323-T327 PolarHBondContact O-OG1 3.29Å
324N85.9Confident81Confident49 Ų4956.5 Ų56.526%0.26233%0.33SS..Hα-helixtrans-59.2-49.4177.3-170.440.9000110.6G320 Q321 V322 V326 T327 W328G320-N324 WeakPolarHBondContact O-CB 3.25Å; G320-N324 PolarHBondContact O-N 3.35Å; Q321-N324 PolarHBondContact O-N 3.47Å; V322-N324 PolarHBondContact O-N 3.39Å; N324-V326 PolarHBondContact O-N 3.15Å; N324-T327 WeakPolarHBondContact O-CB 3.49Å; N324-T327 PolarHBondContact O-N 3Å; N324-W328 VanDerWaalsContact O-CD1 3.22Å; N324-W328 PolarHBondContact O-N 3.18Å; N324-W328 PolarHBondContact OD1-NE1 2.91Å; N324-W328 VanDerWaalsContact OD1-NE1 3.14Å
325V89.5Confident82.5Confident82 Ų8253.7 Ų53.750%0.49731%0.305SS..Hα-helixtrans-58.4-49.8179.2170.70000112Q321 V322 E323 T327 W328 I329Q321-V325 VanDerWaalsContact O-CG2 3.3Å; Q321-V325 WeakPolarHBondContact O-CG2 2.98Å; Q321-V325 PolarHBondContact O-N 2.9Å; V322-V325 PolarHBondContact O-N 3.48Å; E323-V325 PolarHBondContact O-N 3.38Å; V325-T327 VanDerWaalsContact C-N 3.28Å; V325-T327 PolarHBondContact O-N 2.9Å; V325-W328 PolarHBondContact O-N 2.9Å; V325-I329 HydrophobicContact CG1-CD1 3.82Å; V325-I329 VanDerWaalsContact O-CG1 3.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.34Å; V325-I329 PolarHBondContact O-N 2.97Å
326V91.9Very high84.1Confident13 Ų1347.4 Ų47.48%0.07928%0.276CS..Hα-helixtrans-67.8-30.2-179.6-59.30000112.4P302 F306 V322 E323 N324 G330P302-V326 HydrophobicContact CB-CG1 4.21Å; F306-V326 HydrophobicContact CB-CB 4.48Å; F306-V326 HydrophobicContact CB-CG1 4.23Å; F306-V326 HydrophobicContact CB-CG2 3.95Å; F306-V326 HydrophobicContact CD1-CG2 3.73Å; F306-V326 HydrophobicContact CE1-CG2 4.43Å; F306-V326 HydrophobicContact CG-CG2 3.86Å; V322-V326 HydrophobicContact CG1-CG1 4.37Å; V322-V326 WeakPolarHBondContact O-CG1 3.35Å; V322-V326 WeakPolarHBondContact O-CG2 3.5Å; V322-V326 PolarHBondContact O-N 3.09Å; E323-V326 VanDerWaalsContact O-CG2 3.3Å; E323-V326 WeakPolarHBondContact O-CG2 3.24Å; E323-V326 PolarHBondContact O-N 3.14Å; N324-V326 PolarHBondContact O-N 3.15Å; V326-G330 PolarHBondContact O-N 2.79Å
327T90.9Very high85.8Confident7 Ų742.2 Ų42.24%0.04324%0.243CC..Hα-helixtrans-65.6-46.9175-61.20000111E323 N324 V325 I329 G330 Y331E323-T327 VanDerWaalsContact O-CB 3.25Å; E323-T327 WeakPolarHBondContact O-CB 3.47Å; E323-T327 PolarHBondContact O-N 2.85Å; E323-T327 PolarHBondContact O-OG1 3.29Å; N324-T327 WeakPolarHBondContact O-CB 3.49Å; N324-T327 PolarHBondContact O-N 3Å; V325-T327 VanDerWaalsContact C-N 3.28Å; V325-T327 PolarHBondContact O-N 2.9Å; T327-I329 PolarHBondContact O-N 3.37Å; T327-G330 CarbonylContact O-C 3.56Å; T327-G330 WeakPolarHBondContact O-CA 3.33Å; T327-G330 PolarHBondContact O-N 3.48Å; T327-Y331 HydrophobicContact CG2-CD2 4.15Å; T327-Y331 HydrophobicContact CG2-CE1 4.01Å; T327-Y331 HydrophobicContact CG2-CE2 3.58Å; T327-Y331 VanDerWaalsContact CG2-CZ 3.49Å; T327-Y331 PolarHBondContact O-N 3.21Å
328W93.6Very high87.3Confident19 Ų1938.5 Ų38.57%0.07222%0.224CC..Hα-helixtrans-69.5-31.6177.4-78.793.1000113.3M49 L52 M94 A97 M98 N324 V325 G330 Y331 F332M49-W328 HydrophobicContact CB-CD2 4.32Å; M49-W328 HydrophobicContact CB-CE3 4.06Å; M49-W328 HydrophobicContact CB-CH2 3.52Å; M49-W328 HydrophobicContact CB-CZ2 3.8Å; M49-W328 HydrophobicContact CB-CZ3 3.64Å; M49-W328 HydrophobicContact CG-CD2 3.59Å; M49-W328 HydrophobicContact CG-CE3 3.73Å; M49-W328 HydrophobicContact CG-CG 4.2Å; M49-W328 HydrophobicContact CG-CH2 3.87Å; M49-W328 HydrophobicContact CG-CZ2 3.73Å; M49-W328 HydrophobicContact CG-CZ3 3.85Å; M49-W328 HydrophobicContact SD-CD2 3.72Å; M49-W328 HydrophobicContact SD-CE3 4.43Å; M49-W328 HydrophobicContact SD-CG 4.06Å; M49-W328 HydrophobicContact SD-CH2 4.23Å; M49-W328 HydrophobicContact SD-CZ2 3.47Å; M49-W328 WeakPolarHBondContact SD-CZ2 3.43Å; M49-W328 PolarHBondContact SD-NE1 3.47Å; L52-W328 HydrophobicContact CD1-CE3 4.33Å; M94-W328 HydrophobicContact CB-CH2 4.34Å; M94-W328 HydrophobicContact CE-CE3 4.28Å; M94-W328 HydrophobicContact CE-CH2 4.26Å; M94-W328 HydrophobicContact CE-CZ3 3.54Å; A97-W328 HydrophobicContact CB-CZ2 4.17Å; M98-W328 HydrophobicContact CB-CZ2 4.5Å; M98-W328 HydrophobicContact CG-CH2 3.46Å; M98-W328 VanDerWaalsContact CG-CH2 3.46Å; M98-W328 HydrophobicContact CG-CZ2 3.4Å; M98-W328 HydrophobicContact SD-CH2 4.02Å; N324-W328 VanDerWaalsContact O-CD1 3.22Å; N324-W328 PolarHBondContact O-N 3.18Å; N324-W328 PolarHBondContact OD1-NE1 2.91Å; N324-W328 VanDerWaalsContact OD1-NE1 3.14Å; V325-W328 PolarHBondContact O-N 2.9Å; W328-G330 VanDerWaalsContact C-N 3.28Å; W328-G330 PolarHBondContact O-N 3.39Å; W328-Y331 HydrophobicContact CD2-CD2 4.45Å; W328-Y331 PolarHBondContact O-N 3.45Å; W328-F332 PolarHBondContact O-N 3.46Å
329I94.8Very high88.8Confident65 Ų6537.8 Ų37.833%0.33321%0.205SC..Hα-helixtrans-61.6-38.8167.8-68.6166.9000110.7P302 V325 T327 F332P302-I329 HydrophobicContact CB-CG2 4.47Å; P302-I329 HydrophobicContact CG-CG2 4.11Å; V325-I329 HydrophobicContact CG1-CD1 3.82Å; V325-I329 VanDerWaalsContact O-CG1 3.27Å; V325-I329 WeakPolarHBondContact O-CG1 3.34Å; V325-I329 PolarHBondContact O-N 2.97Å; T327-I329 PolarHBondContact O-N 3.37Å; I329-F332 WeakPolarHBondContact O-CB 3.46Å
330G93.9Very high89.7Confident0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-63.1-48.1171.400000112.5C299 V326 T327 W328 F332 C333C299-G330 WeakPolarHBondContact O-CA 3.44Å; V326-G330 PolarHBondContact O-N 2.79Å; T327-G330 CarbonylContact O-C 3.56Å; T327-G330 WeakPolarHBondContact O-CA 3.33Å; T327-G330 PolarHBondContact O-N 3.48Å; W328-G330 VanDerWaalsContact C-N 3.28Å; W328-G330 PolarHBondContact O-N 3.39Å; G330-F332 VanDerWaalsContact C-N 3.25Å; G330-F332 PolarHBondContact O-N 3Å; G330-C333 WeakPolarHBondContact O-CB 3.46Å; G330-C333 PolarHBondContact O-N 2.96Å
331Y95Very high90.2Very high1 Ų137.1 Ų37.10%0.00419%0.187CC..Hα-helixtrans-67.2-23.2-179.2-65.8-9.9000113.6L93 M94 A97 Y118 S122 V126 T327 W328 C333 F334L93-Y331 HydrophobicContact CD2-CE1 3.8Å; L93-Y331 HydrophobicContact CG-CE1 4.36Å; L93-Y331 HydrophobicContact CG-CE2 4.31Å; M94-Y331 HydrophobicContact CG-CD2 4.11Å; M94-Y331 HydrophobicContact CG-CG 4.43Å; A97-Y331 HydrophobicContact CB-CE2 3.74Å; Y118-Y331 PolarHBondContact OH-OH 3.46Å; S122-Y331 PolarHBondContact OG-OH 2.97Å; V126-Y331 HydrophobicContact CG2-CE1 4.28Å; T327-Y331 HydrophobicContact CG2-CD2 4.15Å; T327-Y331 HydrophobicContact CG2-CE1 4.01Å; T327-Y331 HydrophobicContact CG2-CE2 3.58Å; T327-Y331 VanDerWaalsContact CG2-CZ 3.49Å; T327-Y331 PolarHBondContact O-N 3.21Å; W328-Y331 HydrophobicContact CD2-CD2 4.45Å; W328-Y331 PolarHBondContact O-N 3.45Å; Y331-C333 PolarHBondContact O-N 2.98Å; Y331-F334 HydrophobicContact CD1-CD2 4.19Å; Y331-F334 AromaticContact CD1-CE2 3.45Å; Y331-F334 HydrophobicContact CD1-CE2 3.45Å; Y331-F334 VanDerWaalsContact CD1-CE2 3.45Å; Y331-F334 HydrophobicContact CD1-CZ 4.22Å; Y331-F334 HydrophobicContact CE1-CE2 4.07Å; Y331-F334 HydrophobicContact CG-CD2 4.31Å; Y331-F334 AromaticContact CG-CE2 3.98Å; Y331-F334 HydrophobicContact CG-CE2 3.98Å; Y331-F334 WeakPolarHBondContact O-CB 3.42Å; Y331-F334 WeakPolarHBondContact O-CD2 3.23Å; Y331-F334 PolarHBondContact O-N 3.42Å
332F95Very high90.3Very high85 Ų8529.8 Ų29.837%0.37315%0.152SC..Hα-helixtrans-54.7-24.4168.8179.8-113.4000112.5L52 Q295 W328 I329 G330 F334 T335 S336L52-F332 HydrophobicContact CD2-CD2 3.74Å; L52-F332 HydrophobicContact CD2-CE2 4.2Å; Q295-F332 VanDerWaalsContact NE2-CE1 3.3Å; W328-F332 PolarHBondContact O-N 3.46Å; I329-F332 WeakPolarHBondContact O-CB 3.46Å; G330-F332 VanDerWaalsContact C-N 3.25Å; G330-F332 PolarHBondContact O-N 3Å; F332-F334 VanDerWaalsContact C-N 3.3Å; F332-F334 PolarHBondContact O-N 3.02Å; F332-T335 PolarHBondContact O-N 3.05Å; F332-S336 VanDerWaalsContact O-CB 3.31Å; F332-S336 WeakPolarHBondContact O-CB 3.47Å; F332-S336 PolarHBondContact O-N 3.49Å; F332-S336 PolarHBondContact O-OG 2.87Å
333C94.2Very high89.8Confident4 Ų427.9 Ų27.93%0.02714%0.142CC..Hα-helixtrans-54.1-47.2171.6-1680000111.4C299 W300 G330 Y331 T335 S336 N337C299-C333 HydrophobicContact CB-CB 3.99Å; W300-C333 HydrophobicContact CH2-CB 4.5Å; W300-C333 HydrophobicContact CZ2-CB 3.65Å; W300-C333 PolarHBondContact NE1-SG 3.36Å; W300-C333 VanDerWaalsContact NE1-SG 3.42Å; G330-C333 WeakPolarHBondContact O-CB 3.46Å; G330-C333 PolarHBondContact O-N 2.96Å; Y331-C333 PolarHBondContact O-N 2.98Å; C333-T335 VanDerWaalsContact C-N 3.3Å; C333-T335 PolarHBondContact O-N 3.41Å; C333-S336 WeakPolarHBondContact CA-OG 3.33Å; C333-S336 PolarHBondContact O-N 3.03Å; C333-S336 VanDerWaalsContact O-N 3.17Å; C333-S336 PolarHBondContact O-OG 2.92Å; C333-N337 PolarHBondContact O-N 2.83Å; C333-N337 PolarHBondContact O-ND2 3.25Å; C333-N337 PolarHBondContact O-OD1 3.46Å
334F95.3Very high89.3Confident0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-62.1-37-179.3-51.5-43000112.2N60 D86 A89 L93 M94 V126 A129 Y331 F332N60-F334 PolarHBondContact ND2-O 3.37Å; D86-F334 HydrophobicContact CB-CB 4.17Å; D86-F334 VanDerWaalsContact OD1-CD1 3.31Å; D86-F334 WeakPolarHBondContact OD1-CD1 3.22Å; A89-F334 HydrophobicContact CB-CD2 4.07Å; A89-F334 HydrophobicContact CB-CE1 4.46Å; A89-F334 HydrophobicContact CB-CE2 3.98Å; A89-F334 HydrophobicContact CB-CG 4.35Å; A89-F334 HydrophobicContact CB-CZ 4.19Å; L93-F334 HydrophobicContact CD2-CE2 4.13Å; L93-F334 HydrophobicContact CD2-CZ 4.43Å; M94-F334 HydrophobicContact SD-CD2 4.16Å; V126-F334 HydrophobicContact CG2-CZ 4.31Å; A129-F334 HydrophobicContact CB-CD1 4.11Å; A129-F334 HydrophobicContact CB-CE1 3.57Å; Y331-F334 HydrophobicContact CD1-CD2 4.19Å; Y331-F334 AromaticContact CD1-CE2 3.45Å; Y331-F334 HydrophobicContact CD1-CE2 3.45Å; Y331-F334 VanDerWaalsContact CD1-CE2 3.45Å; Y331-F334 HydrophobicContact CD1-CZ 4.22Å; Y331-F334 HydrophobicContact CE1-CE2 4.07Å; Y331-F334 HydrophobicContact CG-CD2 4.31Å; Y331-F334 AromaticContact CG-CE2 3.98Å; Y331-F334 HydrophobicContact CG-CE2 3.98Å; Y331-F334 WeakPolarHBondContact O-CB 3.42Å; Y331-F334 WeakPolarHBondContact O-CD2 3.23Å; Y331-F334 PolarHBondContact O-N 3.42Å; F332-F334 VanDerWaalsContact C-N 3.3Å; F332-F334 PolarHBondContact O-N 3.02Å
335T94.8Very high88.7Confident15 Ų1527.7 Ų27.79%0.09214%0.142CC..Hα-helixtrans-71.2-38.4176.4-48.10000112.1L52 T55 A56 F332 C333 P338L52-T335 HydrophobicContact CD2-CG2 4.31Å; L52-T335 PolarHBondContact O-OG1 2.89Å; T55-T335 HydrophobicContact CG2-CG2 3.64Å; A56-T335 HydrophobicContact CB-CG2 4.45Å; F332-T335 PolarHBondContact O-N 3.05Å; C333-T335 VanDerWaalsContact C-N 3.3Å; C333-T335 PolarHBondContact O-N 3.41Å; T335-P338 WeakPolarHBondContact O-CD 3.44Å
336S92.8Very high87.9Confident6 Ų633.6 Ų33.64%0.04216%0.155CC..Hα-helixtrans-80.7-25.5-17372.50000114.3Q295 F332 C333 F339 F340Q295-S336 PolarHBondContact NE2-OG 3.07Å; F332-S336 VanDerWaalsContact O-CB 3.31Å; F332-S336 WeakPolarHBondContact O-CB 3.47Å; F332-S336 PolarHBondContact O-N 3.49Å; F332-S336 PolarHBondContact O-OG 2.87Å; C333-S336 WeakPolarHBondContact CA-OG 3.33Å; C333-S336 PolarHBondContact O-N 3.03Å; C333-S336 VanDerWaalsContact O-N 3.17Å; C333-S336 PolarHBondContact O-OG 2.92Å; S336-F339 WeakPolarHBondContact O-CA 3.01Å; S336-F339 VanDerWaalsContact O-CB 3.27Å; S336-F339 WeakPolarHBondContact O-CB 3.35Å; S336-F339 PolarHBondContact O-N 3.5Å; S336-F340 WeakPolarHBondContact O-CD2 3.24Å; S336-F340 PolarHBondContact O-N 3.28Å
337N91.2Very high87Confident4 Ų437.6 Ų37.62%0.02117%0.173CC..Hα-helixtrans-55-43.6-174.5-76.6-18.6000113.6L82 D86 C333 F339 F340 Y341L82-N337 HydrophobicContact CD2-CB 4.09Å; L82-N337 HydrophobicContact CG-CB 4.46Å; D86-N337 PolarHBondContact OD1-ND2 2.88Å; D86-N337 WeakPolarHBondContact OD2-CB 3.32Å; D86-N337 PolarHBondContact OD2-ND2 3.35Å; C333-N337 PolarHBondContact O-N 2.83Å; C333-N337 PolarHBondContact O-ND2 3.25Å; C333-N337 PolarHBondContact O-OD1 3.46Å; N337-F339 PolarHBondContact O-N 2.7Å; N337-F340 PolarHBondContact O-N 3.19Å; N337-Y341 HydrophobicContact CB-CD2 4.17Å; N337-Y341 WeakPolarHBondContact O-CD2 3.41Å; N337-Y341 PolarHBondContact O-N 3.48Å
338P90.2Very high86.1Confident8 Ų837.3 Ų37.35%0.05217%0.171CC..Iπ-helixtrans-53.2-37171.2-31.737.2000114.7N60 V63 T335 G342 C343N60-P338 HydrophobicContact CB-CG 4.29Å; N60-P338 VanDerWaalsContact CG-CG 3.49Å; N60-P338 WeakPolarHBondContact OD1-CD 3.28Å; N60-P338 WeakPolarHBondContact OD1-CG 3.38Å; V63-P338 HydrophobicContact CG2-CB 3.86Å; T335-P338 WeakPolarHBondContact O-CD 3.44Å; P338-G342 CarbonylContact O-C 3.47Å; P338-G342 WeakPolarHBondContact O-CA 2.85Å; P338-G342 PolarHBondContact O-N 3.1Å; P338-C343 PolarHBondContact O-N 3.35Å
339F86.6Confident85.5Confident115 Ų11542.1 Ų42.150%0.50419%0.189SC..Iπ-helixtrans-67.8-50.7178.8-179.6-100000110.8S336 N337 C343 L344S336-F339 WeakPolarHBondContact O-CA 3.01Å; S336-F339 VanDerWaalsContact O-CB 3.27Å; S336-F339 WeakPolarHBondContact O-CB 3.35Å; S336-F339 PolarHBondContact O-N 3.5Å; N337-F339 PolarHBondContact O-N 2.7Å; F339-C343 HydrophobicContact CD2-CB 4.2Å; F339-C343 WeakPolarHBondContact O-CA 3.38Å; F339-C343 WeakPolarHBondContact O-CB 3.33Å; F339-C343 PolarHBondContact O-N 2.97Å; F339-C343 VanDerWaalsContact O-N 3.16Å; F339-L344 HydrophobicContact CE1-CD1 4.29Å; F339-L344 HydrophobicContact CE1-CD2 4.35Å; F339-L344 HydrophobicContact CE1-CG 4.36Å; F339-L344 HydrophobicContact CZ-CD2 4.35Å; F339-L344 WeakPolarHBondContact O-CG 3.4Å; F339-L344 PolarHBondContact O-N 3.03Å
340F86.7Confident84.7Confident28 Ų2840.5 Ų40.512%0.12319%0.188CC..Iπ-helixtrans-73.2-45.1-176-71.3-79.3000113.5A291 V292 Q295 S336 N337 L344A291-F340 HydrophobicContact CB-CD1 4.16Å; A291-F340 HydrophobicContact CB-CE1 3.7Å; A291-F340 VanDerWaalsContact O-CE1 3.3Å; A291-F340 WeakPolarHBondContact O-CE1 3.35Å; V292-F340 HydrophobicContact CG2-CB 4.04Å; V292-F340 HydrophobicContact CG2-CD1 4.17Å; V292-F340 HydrophobicContact CG2-CG 4.49Å; Q295-F340 HydrophobicContact CB-CD2 4.08Å; Q295-F340 HydrophobicContact CB-CE1 4.11Å; Q295-F340 HydrophobicContact CB-CE2 3.64Å; Q295-F340 HydrophobicContact CB-CZ 3.65Å; Q295-F340 HydrophobicContact CG-CD2 3.75Å; Q295-F340 HydrophobicContact CG-CE2 3.35Å; Q295-F340 HydrophobicContact CG-CZ 3.9Å; S336-F340 WeakPolarHBondContact O-CD2 3.24Å; S336-F340 PolarHBondContact O-N 3.28Å; N337-F340 PolarHBondContact O-N 3.19Å; F340-L344 HydrophobicContact CD1-CD1 3.75Å; F340-L344 HydrophobicContact CE1-CD1 4.36Å; F340-L344 HydrophobicContact CG-CD1 4.49Å; F340-L344 WeakPolarHBondContact O-CB 3.36Å
341Y84Confident84.1Confident21 Ų2142.9 Ų42.98%0.08220%0.199CC..Iπ-helixtrans-93.2-24.1-174.6-61.6-75.2000113.2L82 V133 I136 V292 N337 N345L82-Y341 HydrophobicContact CD2-CD2 3.59Å; L82-Y341 HydrophobicContact CD2-CE2 3.83Å; L82-Y341 HydrophobicContact CD2-CG 4.16Å; V133-Y341 WeakPolarHBondContact CG1-OH 3.19Å; V133-Y341 HydrophobicContact CG2-CE2 4.2Å; I136-Y341 HydrophobicContact CB-CE1 4.43Å; I136-Y341 HydrophobicContact CD1-CD1 4.2Å; I136-Y341 HydrophobicContact CD1-CE1 4.23Å; I136-Y341 HydrophobicContact CG2-CD1 3.97Å; I136-Y341 HydrophobicContact CG2-CE1 3.72Å; V292-Y341 HydrophobicContact CG1-CE1 3.92Å; V292-Y341 WeakPolarHBondContact CG1-OH 3.44Å; V292-Y341 HydrophobicContact CG2-CE1 4.37Å; N337-Y341 HydrophobicContact CB-CD2 4.17Å; N337-Y341 WeakPolarHBondContact O-CD2 3.41Å; N337-Y341 PolarHBondContact O-N 3.48Å; Y341-N345 WeakPolarHBondContact O-CB 3.48Å
342G81.4Confident83.4Confident0 Ų043.7 Ų43.70%020%0.204CC..Iπ-helixtrans-96.1-69.5174.900000112.8P338 L344 N345P338-G342 CarbonylContact O-C 3.47Å; P338-G342 WeakPolarHBondContact O-CA 2.85Å; P338-G342 PolarHBondContact O-N 3.1Å; G342-L344 PolarHBondContact O-N 3.45Å; G342-N345 WeakPolarHBondContact O-CB 3.2Å; G342-N345 PolarHBondContact O-N 2.95Å; G342-N345 VanDerWaalsContact O-N 3.11Å
343C73.9Confident82.6Confident37 Ų3742.7 Ų42.725%0.2521%0.207CC..Iπ-helixtrans-67.2-34.4-170.7-630000114P338 F339 N345 R349P338-C343 PolarHBondContact O-N 3.35Å; F339-C343 HydrophobicContact CD2-CB 4.2Å; F339-C343 WeakPolarHBondContact O-CA 3.38Å; F339-C343 WeakPolarHBondContact O-CB 3.33Å; F339-C343 PolarHBondContact O-N 2.97Å; F339-C343 VanDerWaalsContact O-N 3.16Å; C343-N345 VanDerWaalsContact C-N 3.29Å; C343-R349 WeakPolarHBondContact O-CB 3.5Å; C343-R349 VanDerWaalsContact O-CD 3.27Å; C343-R349 WeakPolarHBondContact O-CD 2.97Å
344L72.9Confident82Confident48 Ų4848.3 Ų48.325%0.25123%0.231SC..THydrogen-bonded Turntrans-78.1-16.4175.4-60.6179.9000112.7V288 F339 F340 G342 R346V288-L344 HydrophobicContact CB-CB 4.47Å; V288-L344 HydrophobicContact CB-CD1 4.44Å; V288-L344 HydrophobicContact CG1-CB 3.69Å; V288-L344 HydrophobicContact CG1-CD1 3.96Å; V288-L344 HydrophobicContact CG1-CG 4.46Å; V288-L344 HydrophobicContact CG2-CB 3.94Å; V288-L344 HydrophobicContact CG2-CD1 4.23Å; V288-L344 HydrophobicContact CG2-CD2 4.45Å; V288-L344 HydrophobicContact CG2-CG 4.44Å; F339-L344 HydrophobicContact CE1-CD1 4.29Å; F339-L344 HydrophobicContact CE1-CD2 4.35Å; F339-L344 HydrophobicContact CE1-CG 4.36Å; F339-L344 HydrophobicContact CZ-CD2 4.35Å; F339-L344 WeakPolarHBondContact O-CG 3.4Å; F339-L344 PolarHBondContact O-N 3.03Å; F340-L344 HydrophobicContact CD1-CD1 3.75Å; F340-L344 HydrophobicContact CE1-CD1 4.36Å; F340-L344 HydrophobicContact CG-CD1 4.49Å; F340-L344 WeakPolarHBondContact O-CB 3.36Å; G342-L344 PolarHBondContact O-N 3.45Å; L344-R346 PolarHBondContact O-N 2.03Å
345N74.2Confident81.2Confident24 Ų2450 Ų5013%0.12824%0.239CC..SBendtrans-79.4107.7174.1-174.4-18.9000110Y341 G342 C343 Q347 I348 R349Y341-N345 WeakPolarHBondContact O-CB 3.48Å; G342-N345 WeakPolarHBondContact O-CB 3.2Å; G342-N345 PolarHBondContact O-N 2.95Å; G342-N345 VanDerWaalsContact O-N 3.11Å; C343-N345 VanDerWaalsContact C-N 3.29Å; N345-Q347 PolarHBondContact O-N 2.65Å; N345-Q347 PolarHBondContact OD1-N 3.23Å; N345-I348 HydrophobicContact CB-CB 4.22Å; N345-I348 HydrophobicContact CB-CD1 4.1Å; N345-I348 HydrophobicContact CB-CG1 4.24Å; N345-I348 WeakPolarHBondContact ND2-CD1 3.47Å; N345-I348 PolarHBondContact O-N 2.65Å; N345-R349 WeakPolarHBondContact O-CB 3.21Å; N345-R349 PolarHBondContact O-N 3.45Å
346R73.4Confident80.2Confident206 Ų20654 Ų5478%0.77726%0.255SS*.Hα-helixtrans-52.6-33.5-175.7-173.4177.6175.9175.8-0.4113.7L344 G350L344-R346 PolarHBondContact O-N 2.03Å; R346-G350 PolarHBondContact O-N 2.8Å
347Q73.3Confident79.3Confident97 Ų9758 Ų5845%0.45328%0.279SS..Hα-helixtrans-72.2-43.8178.9-67.6-177.9-3.100111.4L73 F76 N345L73-Q347 HydrophobicContact CD2-CB 3.94Å; F76-Q347 HydrophobicContact CE2-CB 4.41Å; F76-Q347 VanDerWaalsContact CZ-OE1 3.3Å; N345-Q347 PolarHBondContact O-N 2.65Å; N345-Q347 PolarHBondContact OD1-N 3.23Å
348I71.8Confident78Confident0 Ų062 Ų620%031%0.306CS..Hα-helixtrans-72.8-45.1179.5-60.7174.6000110.2V63 V66 I67 L73 F76 V79 N345 G350 E351 L352V63-I348 HydrophobicContact CG1-CG2 4.46Å; V66-I348 HydrophobicContact CG1-CG2 4.43Å; I67-I348 HydrophobicContact CD1-CD1 4.37Å; L73-I348 HydrophobicContact CD1-CG1 4.24Å; L73-I348 HydrophobicContact CD2-CG1 4.08Å; F76-I348 HydrophobicContact CD2-CD1 4.38Å; F76-I348 HydrophobicContact CD2-CG1 4.41Å; F76-I348 HydrophobicContact CG-CD1 4.49Å; V79-I348 HydrophobicContact CG1-CD1 4.37Å; N345-I348 HydrophobicContact CB-CB 4.22Å; N345-I348 HydrophobicContact CB-CD1 4.1Å; N345-I348 HydrophobicContact CB-CG1 4.24Å; N345-I348 WeakPolarHBondContact ND2-CD1 3.47Å; N345-I348 PolarHBondContact O-N 2.65Å; I348-G350 VanDerWaalsContact C-N 3.29Å; I348-G350 PolarHBondContact O-N 3.19Å; I348-E351 PolarHBondContact O-N 3.22Å; I348-E351 VanDerWaalsContact O-N 3.14Å; I348-L352 WeakPolarHBondContact O-CB 3.45Å; I348-L352 PolarHBondContact O-N 3.01Å
349R81Confident76.7Confident121 Ų12168.5 Ų68.546%0.45733%0.334SS..Hα-helixtrans-55.4-42.5177-173.5-178.360.8-165.74.6112.7C343 N345 E351 L352 S353C343-R349 WeakPolarHBondContact O-CB 3.5Å; C343-R349 VanDerWaalsContact O-CD 3.27Å; C343-R349 WeakPolarHBondContact O-CD 2.97Å; N345-R349 WeakPolarHBondContact O-CB 3.21Å; N345-R349 PolarHBondContact O-N 3.45Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.41Å; R349-L352 PolarHBondContact O-N 3.18Å; R349-S353 WeakPolarHBondContact O-CB 3.28Å; R349-S353 PolarHBondContact O-N 3.16Å; R349-S353 PolarHBondContact O-OG 3.44Å; R349-S353 VanDerWaalsContact O-OG 3.09Å
350G76.6Confident75.4Confident31 Ų3171 Ų7132%0.3235%0.345SS..Hα-helixtrans-60-40.2179.700000112.6R346 I348 K354R346-G350 PolarHBondContact O-N 2.8Å; I348-G350 VanDerWaalsContact C-N 3.29Å; I348-G350 PolarHBondContact O-N 3.19Å; G350-K354 WeakPolarHBondContact O-CG 3.37Å; G350-K354 PolarHBondContact O-N 2.97Å
351E82.4Confident73.8Confident49 Ų4977.7 Ų77.723%0.22937%0.374CS..Hα-helixtrans-78.8-35.9178-61.4-55.7134.600112.5V66 T70 L73 I348 R349 K354 Q355V66-E351 HydrophobicContact CG1-CB 3.68Å; T70-E351 HydrophobicContact CG2-CG 4.11Å; L73-E351 HydrophobicContact CD1-CB 4.13Å; L73-E351 HydrophobicContact CD1-CG 4.07Å; I348-E351 PolarHBondContact O-N 3.22Å; I348-E351 VanDerWaalsContact O-N 3.14Å; R349-E351 VanDerWaalsContact C-N 3.29Å; R349-E351 PolarHBondContact O-N 3.41Å; E351-K354 PolarHBondContact O-N 3.26Å; E351-K354 IonicContact OE1-NZ 2.73Å; E351-K354 PolarHBondContact OE1-NZ 3.4Å; E351-K354 IonicContact OE2-NZ 3.7Å; E351-Q355 PolarHBondContact O-N 3.42Å
352L78.8Confident72Confident19 Ų1980.5 Ų80.510%0.09940%0.402CS..Hα-helixtrans-57.4-52171.7-166.272.1000110A62 V66 I348 R349 K354 Q355 F356A62-L352 HydrophobicContact CB-CD1 4.39Å; V66-L352 HydrophobicContact CG2-CB 4.42Å; V66-L352 HydrophobicContact CG2-CD1 3.63Å; I348-L352 WeakPolarHBondContact O-CB 3.45Å; I348-L352 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 3.18Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 3.27Å; L352-Q355 PolarHBondContact O-N 3.44Å; L352-F356 HydrophobicContact CD1-CD2 3.9Å; L352-F356 HydrophobicContact CD1-CE2 3.52Å; L352-F356 HydrophobicContact CD2-CE2 4.28Å; L352-F356 HydrophobicContact CG-CD2 3.68Å; L352-F356 HydrophobicContact CG-CE2 3.65Å; L352-F356 WeakPolarHBondContact O-CB 3.2Å; L352-F356 VanDerWaalsContact O-CD2 3.29Å; L352-F356 WeakPolarHBondContact O-CD2 3.35Å; L352-F356 PolarHBondContact O-N 2.92Å
353S79.4Confident70.4Confident63 Ų6384.6 Ų84.644%0.44144%0.436SS..Hα-helixtrans-60-38.7178.2-62.20000113R349 V357R349-S353 WeakPolarHBondContact O-CB 3.28Å; R349-S353 PolarHBondContact O-N 3.16Å; R349-S353 PolarHBondContact O-OG 3.44Å; R349-S353 VanDerWaalsContact O-OG 3.09Å; S353-V357 WeakPolarHBondContact O-CB 2.86Å; S353-V357 WeakPolarHBondContact O-CG2 3.19Å; S353-V357 PolarHBondContact O-N 3.2Å
354K82.1Confident68.8Low122 Ų12288.2 Ų88.253%0.5346%0.459SS..Hα-helixtrans-63.2-46.3175-72.4170.4-1731730111.7G350 E351 L352 V357 C358G350-K354 WeakPolarHBondContact O-CG 3.37Å; G350-K354 PolarHBondContact O-N 2.97Å; E351-K354 PolarHBondContact O-N 3.26Å; E351-K354 IonicContact OE1-NZ 2.73Å; E351-K354 PolarHBondContact OE1-NZ 3.4Å; E351-K354 IonicContact OE2-NZ 3.7Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 3.27Å; K354-V357 PolarHBondContact O-N 2.74Å; K354-C358 WeakPolarHBondContact O-CB 3.37Å; K354-C358 PolarHBondContact O-N 2.86Å; K354-C358 PolarHBondContact O-SG 3.28Å
355Q76.8Confident67.1Low37 Ų3794.8 Ų94.817%0.17349%0.488CS..Hα-helixtrans-65-45.8177.8-72.4-168.216.100111.4V66 E351 L352 V357 C358 F359V66-Q355 HydrophobicContact CG2-CG 4.48Å; E351-Q355 PolarHBondContact O-N 3.42Å; L352-Q355 PolarHBondContact O-N 3.44Å; Q355-V357 PolarHBondContact O-N 3.29Å; Q355-C358 PolarHBondContact O-N 2.77Å; Q355-F359 WeakPolarHBondContact O-CD2 3.45Å; Q355-F359 PolarHBondContact O-N 2.98Å
356F75.5Confident65.5Low98 Ų98103.1 Ų103.143%0.4353%0.526SS..Hα-helixtrans-59.3-44.8176.1-91.1-89.6000112L352 C358 F359 F360L352-F356 HydrophobicContact CD1-CD2 3.9Å; L352-F356 HydrophobicContact CD1-CE2 3.52Å; L352-F356 HydrophobicContact CD2-CE2 4.28Å; L352-F356 HydrophobicContact CG-CD2 3.68Å; L352-F356 HydrophobicContact CG-CE2 3.65Å; L352-F356 WeakPolarHBondContact O-CB 3.2Å; L352-F356 VanDerWaalsContact O-CD2 3.29Å; L352-F356 WeakPolarHBondContact O-CD2 3.35Å; L352-F356 PolarHBondContact O-N 2.92Å; F356-C358 PolarHBondContact O-N 2.82Å; F356-F359 PolarHBondContact O-N 3.37Å; F356-F360 HydrophobicContact CD1-CD2 4.35Å; F356-F360 AromaticContact CD1-CE2 3.99Å; F356-F360 HydrophobicContact CD1-CE2 3.99Å; F356-F360 WeakPolarHBondContact O-CD2 3.05Å; F356-F360 PolarHBondContact O-N 3.33Å
357V73.4Confident63.6Low90 Ų9099.8 Ų99.855%0.54552%0.52SS..Hα-helixtrans-64.3-39.6175.6171.30000111.3S353 K354 Q355 K361S353-V357 WeakPolarHBondContact O-CB 2.86Å; S353-V357 WeakPolarHBondContact O-CG2 3.19Å; S353-V357 PolarHBondContact O-N 3.2Å; K354-V357 PolarHBondContact O-N 2.74Å; Q355-V357 PolarHBondContact O-N 3.29Å; V357-K361 WeakPolarHBondContact O-CB 3.19Å; V357-K361 PolarHBondContact O-N 3.27Å
358C63Low62.1Low87 Ų87102.5 Ų102.559%0.58854%0.536SS*.Hα-helixtrans-65.2-39.8173.6-75.30000112.6K354 Q355 F356 K361 A362K354-C358 WeakPolarHBondContact O-CB 3.37Å; K354-C358 PolarHBondContact O-N 2.86Å; K354-C358 PolarHBondContact O-SG 3.28Å; Q355-C358 PolarHBondContact O-N 2.77Å; F356-C358 PolarHBondContact O-N 2.82Å; C358-K361 PolarHBondContact O-N 2.98Å; C358-A362 WeakPolarHBondContact O-CB 3.36Å; C358-A362 PolarHBondContact O-N 2.7Å
359F64.3Low60.2Low146 Ų146112 Ų11264%0.6457%0.572SS**Hα-helixtrans-65-43.1176.2-89.9-74.9000112.2Q355 F356Q355-F359 WeakPolarHBondContact O-CD2 3.45Å; Q355-F359 PolarHBondContact O-N 2.98Å; F356-F359 PolarHBondContact O-N 3.37Å
360F59.5Low57.9Low168 Ų168112.9 Ų112.974%0.73759%0.585SS**Hα-helixtrans-79.1-21.7178.1-82.7-80.1000113.7F356F356-F360 HydrophobicContact CD1-CD2 4.35Å; F356-F360 AromaticContact CD1-CE2 3.99Å; F356-F360 HydrophobicContact CD1-CE2 3.99Å; F356-F360 WeakPolarHBondContact O-CD2 3.05Å; F356-F360 PolarHBondContact O-N 3.33Å
361K52.4Low55.9Low168 Ų168117.6 Ų117.673%0.7361%0.61SS**Hα-helixtrans-88.9-11.6174-163.7170.6-178.1175.30112.6V357 C358 A363 P364V357-K361 WeakPolarHBondContact O-CB 3.19Å; V357-K361 PolarHBondContact O-N 3.27Å; C358-K361 PolarHBondContact O-N 2.98Å; K361-A363 PolarHBondContact O-N 2.95Å; K361-P364 WeakPolarHBondContact O-CD 3.5Å
362A46.5Very low53.6Low79 Ų79119.7 Ų119.765%0.65363%0.63SS**SBendtrans-84.136.5173.200000113.2C358C358-A362 WeakPolarHBondContact O-CB 3.36Å; C358-A362 PolarHBondContact O-N 2.7Å
363A47.3Very low51.9Low87 Ų87129.8 Ų129.872%0.71967%0.667SS**  trans-132.387.6157.300000108.2K361K361-A363 PolarHBondContact O-N 2.95Å
364P39.8Very low50.1Low112 Ų112134 Ų13473%0.72768%0.68SS**SBend-127.4144.4129.326.3-11000110.8K361K361-P364 WeakPolarHBondContact O-CD 3.5Å
365E37.9Very low48.1Very low186 Ų186130.5 Ų130.587%0.86968%0.678SS**  trans6.3128.7168.7-72.5177.9136.100119.5E367E365-E367 VanDerWaalsContact C-N 3.3Å; E365-E367 PolarHBondContact O-N 3.46Å
366E41.1Very low46.5Very low200 Ų200132.9 Ų132.994%0.93570%0.699SS**  trans-5186.7154.1-168.9179.6-178.300111
367E33.9Very low45Very low136 Ų136134.5 Ų134.564%0.63671%0.711SS**  trans-108.798.7153.9-153.5-178.4161.100108.1E365 R369E365-E367 VanDerWaalsContact C-N 3.3Å; E365-E367 PolarHBondContact O-N 3.46Å; E367-R369 PolarHBondContact O-N 2.8Å; E367-R369 IonicContact OE1-CZ 3.61Å; E367-R369 IonicContact OE1-NE 3.67Å; E367-R369 IonicContact OE1-NH2 2.83Å; E367-R369 PolarHBondContact OE1-NH2 3.43Å; E367-R369 IonicContact OE2-NH2 3.71Å
368L41.5Very low43.5Very low153 Ų153137 Ų13780%0.80172%0.716SS**  trans-55.594.2171.1-174.876.6000110
369R30.3Very low42.8Very low201 Ų201140 Ų14076%0.75872%0.722SS**  trans-108.6104162.2-71-157.9-177140.915.4110.9E367E367-R369 PolarHBondContact O-N 2.8Å; E367-R369 IonicContact OE1-CZ 3.61Å; E367-R369 IonicContact OE1-NE 3.67Å; E367-R369 IonicContact OE1-NH2 2.83Å; E367-R369 PolarHBondContact OE1-NH2 3.43Å; E367-R369 IonicContact OE2-NH2 3.71Å
370L33.6Very low41.9Very low139 Ų139137.9 Ų137.973%0.72872%0.717SS**  trans-45.1153.8160.8-73.7155.1000111.6S372L370-S372 VanDerWaalsContact C-N 3.33Å; L370-S372 PolarHBondContact O-N 3.39Å
371P35.2Very low41.1Very low129 Ų129136 Ų13684%0.83871%0.708SS**  trans-72.989.4173.431-30.5000108.9R373P371-R373 PolarHBondContact O-N 3.34Å
372S33.7Very low40.7Very low93 Ų93132.8 Ų132.865%0.6570%0.699SS**  trans-87.4110.4171.4-1800000109.5L370 E374L370-S372 VanDerWaalsContact C-N 3.33Å; L370-S372 PolarHBondContact O-N 3.39Å; S372-E374 PolarHBondContact O-N 2.94Å; S372-E374 VanDerWaalsContact O-N 3.07Å
373R42Very low41Very low231 Ų231135.9 Ų135.987%0.87270%0.7SS**  trans-77.850.1173.7-173.6-174.5164.5172.8-4.3109.7P371P371-R373 PolarHBondContact O-N 3.34Å
374E41.9Very low40.9Very low152 Ų152139.2 Ų139.271%0.7170%0.699SS**  trans-134.630.3-173-111.776-14900113.9S372S372-E374 PolarHBondContact O-N 2.94Å; S372-E374 VanDerWaalsContact O-N 3.07Å
375G40.9Very low41.2Very low48 Ų48138.9 Ų138.950%0.49569%0.69SS.*SBendtrans-111.4-14.2174.800000115.7
376S42.8Very low41.6Very low87 Ų87138.3 Ų138.361%0.60869%0.687SS**THydrogen-bonded Turntrans-91.4-10.5-168.9-176.40000114.6N380S376-N380 PolarHBondContact O-ND2 2.92Å
377I44.4Very low41.5Very low133 Ų133131.7 Ų131.768%0.68267%0.673SS**THydrogen-bonded Turntrans-98.9-32.2-173.5-61.2176.1000111.4N380 F381I377-N380 PolarHBondContact O-N 3.43Å; I377-F381 PolarHBondContact O-N 2.66Å; I377-F381 VanDerWaalsContact O-N 3.1Å
378E41.9Very low41.6Very low143 Ų143131.3 Ų131.367%0.66868%0.68SS**Hα-helixtrans-77.7-33.5-176.9-158.1156.5-179.400112.8N380 F381 L382E378-N380 VanDerWaalsContact C-N 3.32Å; E378-N380 PolarHBondContact O-N 3.1Å; E378-F381 PolarHBondContact O-N 3.44Å; E378-L382 PolarHBondContact O-N 3.12Å; E378-L382 VanDerWaalsContact O-N 3.07Å
379E47.6Very low41.1Very low149 Ų149129.2 Ų129.270%0.69668%0.679SS**Hα-helixtrans-65.7-34.4171.9-68.4-175.2161.600112.1Q383E379-Q383 WeakPolarHBondContact O-CB 3.37Å; E379-Q383 PolarHBondContact O-N 3.49Å
380N46.1Very low41.1Very low102 Ų102127.6 Ų127.655%0.54568%0.679SS.*Hα-helixtrans-74.2-30.3174.2-82.2-61.1000112.7S376 I377 E378 F384S376-N380 PolarHBondContact O-ND2 2.92Å; I377-N380 PolarHBondContact O-N 3.43Å; E378-N380 VanDerWaalsContact C-N 3.32Å; E378-N380 PolarHBondContact O-N 3.1Å; N380-F384 WeakPolarHBondContact O-CB 3.37Å; N380-F384 PolarHBondContact O-N 2.78Å; N380-F384 VanDerWaalsContact O-N 3.12Å
381F41.7Very low40.8Very low127 Ų127127.2 Ų127.256%0.55768%0.678SS**Hα-helixtrans-75.5-37179.7-161.6-102000112.3I377 E378 F384 L385I377-F381 PolarHBondContact O-N 2.66Å; I377-F381 VanDerWaalsContact O-N 3.1Å; E378-F381 PolarHBondContact O-N 3.44Å; F381-F384 PolarHBondContact O-N 3.13Å; F381-L385 HydrophobicContact CD1-CD1 3.94Å; F381-L385 HydrophobicContact CE1-CD1 3.86Å; F381-L385 WeakPolarHBondContact O-CG 3.37Å; F381-L385 PolarHBondContact O-N 3.2Å; F381-L385 VanDerWaalsContact O-N 3.1Å
382L45.3Very low40.4Very low101 Ų101132 Ų13253%0.52968%0.68SS.*Hα-helixtrans-74.2-31.9175.5-71.4170.5000112.6E378 F384 L385 Q386E378-L382 PolarHBondContact O-N 3.12Å; E378-L382 VanDerWaalsContact O-N 3.07Å; L382-F384 VanDerWaalsContact C-N 3.32Å; L382-L385 HydrophobicContact CD2-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.31Å; L382-Q386 PolarHBondContact O-N 3.49Å; L382-Q386 VanDerWaalsContact O-N 3.15Å
383Q52.1Low40.2Very low144 Ų144133 Ų13367%0.67368%0.682SS**Hα-helixtrans-72.4-26.6173.3-156.9163.221.400112.4E379E379-Q383 WeakPolarHBondContact O-CB 3.37Å; E379-Q383 PolarHBondContact O-N 3.49Å
384F44.9Very low39.6Very low158 Ų158127.1 Ų127.169%0.69368%0.676SS**Hα-helixtrans-72.7-35.8169.2-176.5-100.5000112.6N380 F381 L382N380-F384 WeakPolarHBondContact O-CB 3.37Å; N380-F384 PolarHBondContact O-N 2.78Å; N380-F384 VanDerWaalsContact O-N 3.12Å; F381-F384 PolarHBondContact O-N 3.13Å; L382-F384 VanDerWaalsContact C-N 3.32Å
385L45.5Very low38.9Very low105 Ų105131.2 Ų131.255%0.5569%0.685SS.*Hα-helixtrans-76.3-20.9178.1-72.6171.4000114.1F381 L382F381-L385 HydrophobicContact CD1-CD1 3.94Å; F381-L385 HydrophobicContact CE1-CD1 3.86Å; F381-L385 WeakPolarHBondContact O-CG 3.37Å; F381-L385 PolarHBondContact O-N 3.2Å; F381-L385 VanDerWaalsContact O-N 3.1Å; L382-L385 HydrophobicContact CD2-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.31Å
386Q46.3Very low38.5Very low173 Ų173134.4 Ų134.481%0.80870%0.697SS**THydrogen-bonded Turntrans-92.9-3177-78.8178.2-24.800114.3L382L382-Q386 PolarHBondContact O-N 3.49Å; L382-Q386 VanDerWaalsContact O-N 3.15Å
387G40.7Very low38.1Very low62 Ų62137.7 Ų137.764%0.63971%0.706SS**SBendtrans-85.7-0.1-178.500000116.1
388T36Very low37.6Very low127 Ų127137 Ų13778%0.77971%0.711SS**  trans-138.178.7-174.930.80000112.5
389S30.3Very low37Very low110 Ų110135.1 Ų135.177%0.76971%0.713SS**  trans-139.6117.8152.1-166.40000110
390E29.9Very low36.8Very low166 Ų166133.3 Ų133.378%0.77672%0.715SS**SBendtrans92.298.5163.6-53.1-160.9150.500120.3
391N28.1Very low35.9Very low132 Ų132137.2 Ų137.271%0.70673%0.727SS**  trans70.1105.9136.4-60.2-23.2000119
392W27Very low35.3Very low229 Ų229138.7 Ų138.787%0.86774%0.735SS**  -178.3114.689.4-93.191.1000110.3
393V28.3Very low34.5Very low114 Ų114141.7 Ų141.769%0.69175%0.747SS**  52.8121.1126.51780000120.1
394S29.1Very low33.7Very low107 Ų107140.2 Ų140.275%0.74875%0.75SS**  trans99.996.9151.7-57.50000120.3
395R28.9Very low33.4Very low239 Ų239138.3 Ų138.390%0.90275%0.753SS**  trans3.4167.4133.7-70.1-173.9-159.2-171.85.8119.8
396P31.5Very low33.4Very low114 Ų114139 Ų13974%0.7476%0.764SS**  cis-133.9160.7-3233.7-15.8000113.5
397L34.3Very low32.5Very low156 Ų156135.1 Ų135.182%0.81776%0.762SS**  trans-75.6157.9161.4-169.271.2000110.6
398P34.5Very low32.1Very low119 Ų119138.2 Ų138.277%0.77377%0.767SS**  trans-127115.113630.1-16.4000113.5
399S28.1Very low31.7Very low103 Ų103138.9 Ų138.972%0.7277%0.766SS**  trans42.9137.3130.2-134.50000123.4
400P43.4Very low31.6Very low112 Ų112143.4 Ų143.473%0.72777%0.773SS**  trans-98.116117840.3-33.9000113.3
401K27.9Very low31.7Very low183 Ų183146.3 Ų146.380%0.79678%0.776SS**  trans-150.9116.9160.1-74.9-162.7176.3-178.40110.3
402Q28.4Very low32Very low158 Ų158147.9 Ų147.974%0.73878%0.783SS**  73135.7109.2-77.7175.9-48.200113.7
403E29.3Very low32.2Very low165 Ų165142.9 Ų142.977%0.77178%0.78SS**  cis-172.1-161.5-3.8-151.1175.7-177.500105.9
404P35.2Very low32.4Very low113 Ų113141.5 Ų141.573%0.73479%0.789SS**  -104.5-173.1-118.544-26.7000116.6
405P39.1Very low32.4Very low117 Ų117145.1 Ų145.176%0.7679%0.794SS**  trans-102-162.9-154.444.5-38.2000114.1
406P45.7Very low32.5Very low120 Ų120141 Ų14178%0.77979%0.789SS**  cis-122.9168-3626.6-6.9000113
407A27.6Very low32.5Very low92 Ų92139.8 Ų139.876%0.7679%0.788SS**  154.2144.213000000113.9
408V32Very low32.6Very low126 Ų126141.4 Ų141.476%0.76479%0.791SS**  trans91.8105.1157.2-162.10000119.1
409D27.5Very low32.5Very low141 Ų141144.3 Ų144.375%0.75480%0.795SS**  trans51.1118.6145.3-62.6-20.5000122.7
410F28.1Very low32.9Very low206 Ų206145 Ų14590%0.90480%0.795SS**  -154.8146.8129.4-114.7-83.1000112.7
411R31.4Very low32.7Very low226 Ų226145.6 Ų145.685%0.85380%0.802SS**  trans-57.6152.1-162.5-66.8174.5-174.6-166.71118.7
412I33.8Very low33.4Very low165 Ų165144.6 Ų144.685%0.84680%0.8SS**  trans-120.1130.9149.5-57.7175.3000108.2
413P32.3Very low33.7Very low124 Ų124144.9 Ų144.981%0.80580%0.799SS**  trans-87.5139.5176-0.619.3000112.8
414G31.9Very low34.3Very low86 Ų86144.3 Ų144.389%0.88780%0.8SS**  trans121.772.6154.700000116.8
415Q28.9Very low34.6Very low183 Ų183146.9 Ų146.986%0.85580%0.803SS**  trans-134.2137.9160.9-146.8177.81000103.5
416I32.4Very low34.6Very low152 Ų152148.6 Ų148.678%0.77980%0.801SS**  -177.5153.272.3-70.7164.3000109.1
417A31.7Very low34.3Very low88 Ų88148.7 Ų148.773%0.72779%0.791SS**  trans76.3121.6147.300000123.1
418E35Very low34.9Very low190 Ų190150.6 Ų150.689%0.88879%0.787SS**  trans-54.2135.7142-72.6171.4125.200111.3
419E33Very low35.5Very low180 Ų180149.1 Ų149.184%0.84178%0.779SS**  -176.2145.8123.8-104.7178.9176.400112.2
420T36.3Very low36.2Very low118 Ų118145.5 Ų145.572%0.72476%0.764SS**  trans79.185.1158.953.60000120E422T420-E422 PolarHBondContact O-N 3.4Å
421S39.9Very low36.8Very low124 Ų124141.9 Ų141.987%0.86775%0.754SS**THydrogen-bonded Turntrans-77.130.4162.850.90000114.8
422E41.7Very low37.4Very low163 Ų163137.9 Ų137.976%0.76275%0.748SS**THydrogen-bonded Turntrans-112.2-1.1-179.1-79-168.3145.400114.9T420T420-E422 PolarHBondContact O-N 3.4Å
423F35.9Very low38Very low163 Ų163137.1 Ų137.172%0.71574%0.743SS**SBendtrans-100.6-5.1-178.2-134.2-94.4000114.7
424L40Very low38.4Very low153 Ų153136 Ų13680%0.80174%0.738SS**SBendtrans-97.8-14.6-175.9-143.286.2000114.5
425E42.7Very low38.7Very low168 Ų168139.7 Ų139.779%0.78574%0.737SS**THydrogen-bonded Turntrans-89.7-22.4179.8-120.5-170.5141.600113.6T429E425-T429 PolarHBondContact O-OG1 3.03Å
426Q38.7Very low39.3Very low153 Ų153135 Ų13572%0.71573%0.725SS**THydrogen-bonded Turntrans-84.4-18.8176.6-83.4179-14.300113.9
427Q38.7Very low39.6Very low122 Ų122137.6 Ų137.657%0.5773%0.727SS**THydrogen-bonded Turntrans-87.3-23.3178.6-146121.6-16.600112.5
428L40Very low39.8Very low131 Ų131141.9 Ų141.969%0.68674%0.736SS**THydrogen-bonded Turntrans-84.7-14.2179.8-146.382.6000113.4
429T45.3Very low39.8Very low96 Ų96144.5 Ų144.559%0.58974%0.738SS**THydrogen-bonded Turntrans-96.5-13.9179.931.40000114.2E425E425-T429 PolarHBondContact O-OG1 3.03Å
430S42.7Very low40Very low65 Ų65141.6 Ų141.646%0.45574%0.735SS.*THydrogen-bonded Turntrans-89-26.3174.672.40000113.8S434S430-S434 PolarHBondContact O-OG 3.48Å
431D40.4Very low40.3Very low129 Ų129140.8 Ų140.869%0.6974%0.74SS**SBendtrans-80-14.5-179.4-82.8-15.5000113.9
432I44.5Very low40.3Very low142 Ų142140.5 Ų140.573%0.72874%0.735SS**SBendtrans-90.8-15.4177.2-61.3178.6000112.2
433M45.1Very low39.8Very low150 Ų150138 Ų13874%0.73974%0.735SS**SBendtrans-97.5-5.4-177.1-135.8-172.9-67.700114.7
434S41.2Very low39.7Very low99 Ų99139.8 Ų139.869%0.69275%0.746SS**SBendtrans-98.2-2.6-173.7-62.50000115.6S430S430-S434 PolarHBondContact O-OG 3.48Å
435D39.1Very low39.7Very low164 Ų164143.4 Ų143.488%0.87775%0.749SS**SBendtrans-104.915.5-174.3-127.15000114.4
436S41.1Very low39.6Very low86 Ų86143 Ų14360%0.60175%0.752SS**SBendtrans-112.97.1-176.351.70000115.8
437Y38Very low39.7Very low206 Ų206145 Ų14581%0.80876%0.761SS**SBendtrans-131.996.6172.8-74.9-87.5000110.1
438L35.8Very low39.8Very low177 Ų177148.6 Ų148.693%0.92780%0.8SS**  trans167.290.2144.2-89154.7000110.3
439R35.3Very low39.8Very low246 Ų246149.5 Ų149.593%0.92881%0.805SS**  trans-159.6142.1142.3-112.6-177.9-136-171.26.4112.3
440P37.9Very low39.5Very low118 Ų118152.3 Ų152.377%0.76682%0.817SS**  trans-88.8153.4-165.135.4-33000113.6
441A41.7Very low39.3Very low101 Ų101157.2 Ų157.284%0.83584%0.837SS**  trans-73.8148.9177.600000113.6
442P39.7Very low39.2Very low119 Ų119158.8 Ų158.877%0.77385%0.845SS**  trans-114.2121.215332.3-19.1000112.2
443S32Very low38.9Very low109 Ų109159.9 Ų159.976%0.76285%0.853SS**  trans14.4111.51391610000118.2
444Q35Very low38.5Very low201 Ų201160.5 Ų160.594%0.93986%0.86SS**  trans-95.5122.5151.6-80.8-172-18.200110
445R38.6Very low38.3Very low230 Ų230164.9 Ų164.987%0.86887%0.872SS**  trans-106.7137166.5-173.9-177.8-85.7-165.3-4.6107.1
446L42Very low38.3Very low160 Ų160165 Ų16584%0.83887%0.872SS**  trans-28.1143.2173.8-93.872000116.1
447E39.9Very low38Very low194 Ų194171.6 Ų171.691%0.90790%0.895SS**  -164.5145.9119-103.9177.4156.900111.9
448S40.5Very low38Very low198 Ų198168.5 Ų168.5100%1.38590%0.902SS**  trans67.60-178.177.60000119.4

Retrieved 448 of 448 residues in 71.7 ms (Link to these results)