A0A087X3F3_POEFO Loading...

MPV17 mitochondrial inner membrane protein like 2

AlphaFold DB , UniProt , Accession A0A087X3F3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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
1M47.7Very low57.6Low243 Ų243127 Ų127100%1.19765%0.651SS**  0109.80-70.6179.3173.900108.1
2L53.1Low57.4Low140 Ų140131.8 Ų131.873%0.73366%0.655SS**  trans-65.7133.9178.5-88.1150000110.1
3P64.6Low57.3Low91 Ų91126.8 Ų126.859%0.59163%0.63SS**  trans-58.7141.4-175.4-4.79.2000111.3A5 G6P3-A5 PolarHBondContact O-N 3.11Å; P3-G6 PolarHBondContact O-N 3.39Å
4R58.6Low56.9Low226 Ų226131.4 Ų131.485%0.85364%0.637SS**Hα-helixtrans-50.1-34.3-179.8-89-179.9170.4169-3.3113.1G6 K7 E8R4-G6 PolarHBondContact O-N 3.48Å; R4-K7 PolarHBondContact O-N 2.72Å; R4-E8 PolarHBondContact O-N 3.45Å
5A58Low56.5Low76 Ų76131.5 Ų131.563%0.62863%0.634SS**Hα-helixtrans-62.9-35.1176.500000113.9P3 K7 F9P3-A5 PolarHBondContact O-N 3.11Å; A5-K7 VanDerWaalsContact C-N 3.34Å; A5-F9 WeakPolarHBondContact O-CB 3.26Å; A5-F9 PolarHBondContact O-N 3.26Å
6G59Low56.5Low29 Ų29128.3 Ų128.330%0.29963%0.628SS.*Hα-helixtrans-70.4-31.3177.100000112.8P3 R4 L10P3-G6 PolarHBondContact O-N 3.39Å; R4-G6 PolarHBondContact O-N 3.48Å; G6-L10 WeakPolarHBondContact O-CB 3.44Å; G6-L10 WeakPolarHBondContact O-CD1 3.4Å; G6-L10 VanDerWaalsContact O-CG 3.23Å; G6-L10 WeakPolarHBondContact O-CG 3.43Å; G6-L10 PolarHBondContact O-N 3.49Å
7K56.6Low56.2Low132 Ų132129.2 Ų129.257%0.57462%0.624SS**Hα-helixtrans-72-43.5175.4-67-175.3178.5-1750111.5R4 A5 L10 V11R4-K7 PolarHBondContact O-N 2.72Å; A5-K7 VanDerWaalsContact C-N 3.34Å; K7-L10 PolarHBondContact O-N 3.42Å; K7-V11 WeakPolarHBondContact O-CB 3.5Å; K7-V11 WeakPolarHBondContact O-CG2 3.45Å; K7-V11 PolarHBondContact O-N 3.37Å
8E58Low56.1Low132 Ų132130 Ų13062%0.61762%0.619SS**Hα-helixtrans-60.5-43.6173.7-74-84.413500112R4 V11 R12R4-E8 PolarHBondContact O-N 3.45Å; E8-V11 PolarHBondContact O-N 3.14Å; E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 PolarHBondContact O-N 3.42Å
9F60.7Low56Low138 Ų138126.7 Ų126.761%0.60561%0.61SS**Hα-helixtrans-64.6-45176.6-176.3-106.8000112.4A5 V11 R12 I13A5-F9 WeakPolarHBondContact O-CB 3.26Å; A5-F9 PolarHBondContact O-N 3.26Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 2.9Å; F9-R12 PolarHBondContact O-N 3.32Å; F9-I13 HydrophobicContact CD1-CD1 3.79Å; F9-I13 HydrophobicContact CE1-CD1 3.32Å; F9-I13 HydrophobicContact CE1-CG1 4.42Å; F9-I13 HydrophobicContact CE2-CD1 4.34Å; F9-I13 HydrophobicContact CG-CD1 4.48Å; F9-I13 HydrophobicContact CZ-CD1 3.64Å; F9-I13 HydrophobicContact CZ-CG1 4.46Å; F9-I13 WeakPolarHBondContact O-CB 3.39Å; F9-I13 WeakPolarHBondContact O-CG1 3.35Å; F9-I13 PolarHBondContact O-N 3.04Å
10L58.6Low55.9Low110 Ų110123.6 Ų123.658%0.57660%0.596SS**Hα-helixtrans-64.9-34.2174.9-76169.2000112.4G6 K7 R14G6-L10 WeakPolarHBondContact O-CB 3.44Å; G6-L10 WeakPolarHBondContact O-CD1 3.4Å; G6-L10 VanDerWaalsContact O-CG 3.23Å; G6-L10 WeakPolarHBondContact O-CG 3.43Å; G6-L10 PolarHBondContact O-N 3.49Å; K7-L10 PolarHBondContact O-N 3.42Å; L10-R14 VanDerWaalsContact O-CB 3.26Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 2.96Å
11V58.2Low55.8Low80 Ų80123.5 Ų123.549%0.48559%0.593SS.*Hα-helixtrans-73.1-38.9176.3170.30000111.4K7 E8 F9 R14 F15K7-V11 WeakPolarHBondContact O-CB 3.5Å; K7-V11 WeakPolarHBondContact O-CG2 3.45Å; K7-V11 PolarHBondContact O-N 3.37Å; E8-V11 PolarHBondContact O-N 3.14Å; F9-V11 VanDerWaalsContact C-N 3.32Å; F9-V11 PolarHBondContact O-N 2.9Å; V11-R14 CarbonylContact O-C 3.58Å; V11-R14 PolarHBondContact O-N 3.42Å; V11-R14 VanDerWaalsContact O-N 3.14Å; V11-F15 PolarHBondContact O-N 3.31Å
12R55.4Low55.8Low185 Ų185118.1 Ų118.170%0.69857%0.565SS**Hα-helixtrans-62.3-46.7171.2-88.8-175.7173.2-169.7-1.6111.6E8 F9 R14 F15 S16E8-R12 WeakPolarHBondContact O-CB 3.41Å; E8-R12 PolarHBondContact O-N 3.42Å; F9-R12 PolarHBondContact O-N 3.32Å; R12-R14 VanDerWaalsContact C-N 3.28Å; R12-R14 PolarHBondContact O-N 2.73Å; R12-F15 PolarHBondContact O-N 3.02Å; R12-S16 WeakPolarHBondContact O-CB 3.43Å; R12-S16 PolarHBondContact O-N 3.05Å; R12-S16 PolarHBondContact O-OG 3.48Å; R12-S16 VanDerWaalsContact O-OG 3.06Å
13I56.3Low56.1Low66 Ų66114.5 Ų114.534%0.33856%0.561SS.*Hα-helixtrans-55.7-45.8169.3-75.5174000109.7F9 F15 S16 W17F9-I13 HydrophobicContact CD1-CD1 3.79Å; F9-I13 HydrophobicContact CE1-CD1 3.32Å; F9-I13 HydrophobicContact CE1-CG1 4.42Å; F9-I13 HydrophobicContact CE2-CD1 4.34Å; F9-I13 HydrophobicContact CG-CD1 4.48Å; F9-I13 HydrophobicContact CZ-CD1 3.64Å; F9-I13 HydrophobicContact CZ-CG1 4.46Å; F9-I13 WeakPolarHBondContact O-CB 3.39Å; F9-I13 WeakPolarHBondContact O-CG1 3.35Å; F9-I13 PolarHBondContact O-N 3.04Å; I13-F15 PolarHBondContact O-N 2.94Å; I13-S16 PolarHBondContact O-N 2.66Å; I13-W17 PolarHBondContact O-NE1 3.2Å
14R51.3Low55.6Low191 Ų191121 Ų12172%0.72157%0.574SS**Hα-helixtrans-66.3-23.3-178.7-156.1154.396.4101.5-5114.5L10 V11 R12L10-R14 VanDerWaalsContact O-CB 3.26Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 2.96Å; V11-R14 CarbonylContact O-C 3.58Å; V11-R14 PolarHBondContact O-N 3.42Å; V11-R14 VanDerWaalsContact O-N 3.14Å; R12-R14 VanDerWaalsContact C-N 3.28Å; R12-R14 PolarHBondContact O-N 2.73Å
15F50.8Low55.4Low134 Ų134116.8 Ų116.859%0.58856%0.559SS**Hα-helixtrans-93.3-33.8177.2-106.4-88.6000113.6V11 R12 I13 W17 R18V11-F15 PolarHBondContact O-N 3.31Å; R12-F15 PolarHBondContact O-N 3.02Å; I13-F15 PolarHBondContact O-N 2.94Å; F15-W17 PolarHBondContact O-N 2.99Å; F15-W17 VanDerWaalsContact O-N 3.14Å; F15-R18 PolarHBondContact O-N 3.46Å
16S56.4Low55.6Low79 Ų79116.3 Ų116.355%0.55255%0.546SS*.Hα-helixtrans-66.5-12.7-179.8-68.70000114.4R12 I13 P19R12-S16 WeakPolarHBondContact O-CB 3.43Å; R12-S16 PolarHBondContact O-N 3.05Å; R12-S16 PolarHBondContact O-OG 3.48Å; R12-S16 VanDerWaalsContact O-OG 3.06Å; I13-S16 PolarHBondContact O-N 2.66Å; S16-P19 WeakPolarHBondContact O-CD 3.4Å
17W52.6Low55.6Low145 Ų145117.3 Ų117.355%0.54954%0.544SS..THydrogen-bonded Turntrans-93.6-17.8-179.1-65.951.1000112.6I13 F15 P19 L20 F21I13-W17 PolarHBondContact O-NE1 3.2Å; F15-W17 PolarHBondContact O-N 2.99Å; F15-W17 VanDerWaalsContact O-N 3.14Å; W17-P19 VanDerWaalsContact C-CD 3.47Å; W17-L20 WeakPolarHBondContact O-CB 3.48Å; W17-L20 PolarHBondContact O-N 3.1Å; W17-F21 HydrophobicContact CE3-CE2 4.46Å; W17-F21 WeakPolarHBondContact O-CD2 3.44Å
18R53.8Low55.7Low143 Ų143115.6 Ų115.654%0.5454%0.54SS..THydrogen-bonded Turntrans-60.5-38.8177.9-66.4-178.7175.1-113.82.5113.6F15 L20 F21 Q22F15-R18 PolarHBondContact O-N 3.46Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.42Å; R18-F21 PolarHBondContact O-N 3.09Å; R18-Q22 WeakPolarHBondContact O-CG 3.35Å
19P54.9Low56Low68 Ų68110.4 Ų110.444%0.44252%0.518SS..G310 helixtrans-66.6-30.9175.3-19.732.3000113.5S16 W17 F21 Q22 Y25S16-P19 WeakPolarHBondContact O-CD 3.4Å; W17-P19 VanDerWaalsContact C-CD 3.47Å; P19-F21 PolarHBondContact O-N 3.42Å; P19-Q22 PolarHBondContact O-N 2.93Å; P19-Y25 WeakPolarHBondContact O-CB 3.37Å
20L53.6Low56.2Low64 Ų64106.8 Ų106.834%0.33551%0.505SS..G310 helixtrans-64-28178-79.9165.5000112.1W17 R18 Y25 L26 T29W17-L20 WeakPolarHBondContact O-CB 3.48Å; W17-L20 PolarHBondContact O-N 3.1Å; R18-L20 VanDerWaalsContact C-N 3.32Å; R18-L20 PolarHBondContact O-N 3.42Å; L20-Y25 CarbonylContact O-C 3.53Å; L20-Y25 VanDerWaalsContact O-C 3.26Å; L20-L26 PolarHBondContact O-N 3.3Å; L20-T29 HydrophobicContact CB-CG2 3.92Å; L20-T29 HydrophobicContact CD2-CG2 3.87Å; L20-T29 HydrophobicContact CG-CG2 4.47Å; L20-T29 WeakPolarHBondContact O-CG2 3.41Å; L20-T29 PolarHBondContact O-OG1 2.71Å
21F54.4Low56.5Low121 Ų121102 Ų10253%0.53148%0.48SS..G310 helixtrans-99.920.5177.8-62.3-76.3000113.4W17 R18 P19 L26W17-F21 HydrophobicContact CE3-CE2 4.46Å; W17-F21 WeakPolarHBondContact O-CD2 3.44Å; R18-F21 PolarHBondContact O-N 3.09Å; P19-F21 PolarHBondContact O-N 3.42Å; F21-L26 HydrophobicContact CB-CD1 4.31Å; F21-L26 HydrophobicContact CD1-CD1 4.3Å
22Q46.5Very low57.1Low130 Ų130102 Ų10261%0.60748%0.477SS*.SBendtrans-129.2136.8179.6-72.6179.2-14.300112.2R18 P19 Y25R18-Q22 WeakPolarHBondContact O-CG 3.35Å; P19-Q22 PolarHBondContact O-N 2.93Å; Q22-Y25 PolarHBondContact O-N 2.94Å
23G59.1Low57.8Low64 Ų6496.2 Ų96.266%0.6647%0.465SS*.THydrogen-bonded Turntrans61.4-132.3171.900000114.5Y25 L26G23-Y25 PolarHBondContact O-N 3.26Å; G23-L26 WeakPolarHBondContact O-CB 3.46Å; G23-L26 PolarHBondContact O-N 3.45Å
24R54.4Low58.4Low227 Ų22793.5 Ų93.586%0.85745%0.453SS*.Hα-helixtrans-64.6-23.3-176.8-65.4-179.3178.5178.4-0.7113.7
25Y54.1Low59.5Low139 Ų13984.4 Ų84.455%0.54542%0.419SS..Hα-helixtrans-77.5-23.2178.8-60.9-74.5000112.8P19 L20 Q22 G23 L27 L28 T29P19-Y25 WeakPolarHBondContact O-CB 3.37Å; L20-Y25 CarbonylContact O-C 3.53Å; L20-Y25 VanDerWaalsContact O-C 3.26Å; Q22-Y25 PolarHBondContact O-N 2.94Å; G23-Y25 PolarHBondContact O-N 3.26Å; Y25-L27 VanDerWaalsContact C-N 3.28Å; Y25-L27 PolarHBondContact O-N 2.92Å; Y25-L28 WeakPolarHBondContact O-CB 3.48Å; Y25-L28 PolarHBondContact O-N 3Å; Y25-L28 VanDerWaalsContact O-N 3.13Å; Y25-T29 PolarHBondContact O-N 3.21Å; Y25-T29 PolarHBondContact O-OG1 3.36Å
26L62.1Low60.9Low65 Ų6582.6 Ų82.634%0.3442%0.415SS..Hα-helixtrans-63.1-36.4175.6-170.472.1000111.8L20 F21 G23 T29 N30L20-L26 PolarHBondContact O-N 3.3Å; F21-L26 HydrophobicContact CB-CD1 4.31Å; F21-L26 HydrophobicContact CD1-CD1 4.3Å; G23-L26 WeakPolarHBondContact O-CB 3.46Å; G23-L26 PolarHBondContact O-N 3.45Å; L26-T29 WeakPolarHBondContact CA-OG1 3.33Å; L26-T29 PolarHBondContact O-OG1 2.92Å; L26-T29 VanDerWaalsContact O-OG1 3.07Å; L26-N30 VanDerWaalsContact O-CB 3.23Å; L26-N30 WeakPolarHBondContact O-CB 3.26Å; L26-N30 PolarHBondContact O-N 3.11Å; L26-N30 PolarHBondContact O-ND2 2.98Å
27L60.1Low61.9Low50 Ų5080.3 Ų80.326%0.26240%0.396SS..Hα-helixtrans-63.2-44.2173-80.1171.2000111.7Y25 T31 N78 L82Y25-L27 VanDerWaalsContact C-N 3.28Å; Y25-L27 PolarHBondContact O-N 2.92Å; L27-T31 WeakPolarHBondContact O-CB 3.39Å; L27-T31 PolarHBondContact O-N 3.15Å; L27-T31 PolarHBondContact O-OG1 3.24Å; L27-N78 HydrophobicContact CD2-CB 3.32Å; L27-L82 HydrophobicContact CD1-CD1 3.8Å; L27-L82 HydrophobicContact CD2-CD1 3.49Å; L27-L82 VanDerWaalsContact CD2-CD1 3.49Å; L27-L82 HydrophobicContact CD2-CG 4.45Å; L27-L82 HydrophobicContact CG-CD1 3.7Å
28L58.6Low63Low96 Ų9673.9 Ų73.950%0.50337%0.372SS..Hα-helixtrans-66.9-46.1-179.8-168.578.5000111Y25 T31 L32Y25-L28 WeakPolarHBondContact O-CB 3.48Å; Y25-L28 PolarHBondContact O-N 3Å; Y25-L28 VanDerWaalsContact O-N 3.13Å; L28-T31 PolarHBondContact O-N 2.87Å; L28-L32 HydrophobicContact CD1-CD1 4.48Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CG-CD1 3.92Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.99Å
29T63.4Low64.4Low24 Ų2467.5 Ų67.515%0.14735%0.35CS..Hα-helixtrans-66-41.6178.851.20000112.2L20 Y25 L26 T31 S33L20-T29 HydrophobicContact CB-CG2 3.92Å; L20-T29 HydrophobicContact CD2-CG2 3.87Å; L20-T29 HydrophobicContact CG-CG2 4.47Å; L20-T29 WeakPolarHBondContact O-CG2 3.41Å; L20-T29 PolarHBondContact O-OG1 2.71Å; Y25-T29 PolarHBondContact O-N 3.21Å; Y25-T29 PolarHBondContact O-OG1 3.36Å; L26-T29 WeakPolarHBondContact CA-OG1 3.33Å; L26-T29 PolarHBondContact O-OG1 2.92Å; L26-T29 VanDerWaalsContact O-OG1 3.07Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-S33 WeakPolarHBondContact O-CB 3.38Å; T29-S33 PolarHBondContact O-N 3.25Å; T29-S33 PolarHBondContact O-OG 3.42Å
30N65.6Low65.8Low62 Ų6268.9 Ų68.933%0.33235%0.353SS..Hα-helixtrans-67.8-35.3178.2-74.6-8.6000112.1L26 S33 G34L26-N30 VanDerWaalsContact O-CB 3.23Å; L26-N30 WeakPolarHBondContact O-CB 3.26Å; L26-N30 PolarHBondContact O-N 3.11Å; L26-N30 PolarHBondContact O-ND2 2.98Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-OG 3.45Å; N30-G34 PolarHBondContact O-N 3.01Å
31T66Low67.1Low8 Ų865.8 Ų65.85%0.04934%0.337CS..Hα-helixtrans-68.4-50.2176.2-65.50000111.1L27 L28 T29 G34 G35 P75L27-T31 WeakPolarHBondContact O-CB 3.39Å; L27-T31 PolarHBondContact O-N 3.15Å; L27-T31 PolarHBondContact O-OG1 3.24Å; L28-T31 PolarHBondContact O-N 2.87Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T31-G34 PolarHBondContact O-N 3.02Å; T31-G35 PolarHBondContact O-N 3.27Å; T31-P75 HydrophobicContact CG2-CB 4.35Å; T31-P75 HydrophobicContact CG2-CG 3.87Å
32L69.4Low68.4Low82 Ų8260.1 Ų60.143%0.42931%0.312SS..Hα-helixtrans-64.4-44.1178.4-76.5167.1000111.3L28 G34 L36L28-L32 HydrophobicContact CD1-CD1 4.48Å; L28-L32 HydrophobicContact CD2-CD1 4.38Å; L28-L32 HydrophobicContact CG-CD1 3.92Å; L28-L32 WeakPolarHBondContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.99Å; L32-G34 PolarHBondContact O-N 3.21Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CD1 3.37Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.3Å
33S71.1Confident70.3Confident63 Ų6356.5 Ų56.544%0.44130%0.296SS..Hα-helixtrans-64.3-42178.867.40000111.7T29 N30 M37T29-S33 WeakPolarHBondContact O-CB 3.38Å; T29-S33 PolarHBondContact O-N 3.25Å; T29-S33 PolarHBondContact O-OG 3.42Å; N30-S33 WeakPolarHBondContact CA-OG 3.26Å; N30-S33 PolarHBondContact O-OG 3.45Å; S33-M37 WeakPolarHBondContact O-CB 3.47Å; S33-M37 PolarHBondContact O-N 3.26Å
34G69.3Low71.5Confident9 Ų957 Ų579%0.09328%0.283CS..Hα-helixtrans-66.5-46.4178.400000112.9N30 T31 L32 L36 M37 L38N30-G34 PolarHBondContact O-N 3.01Å; T31-G34 PolarHBondContact O-N 3.02Å; L32-G34 PolarHBondContact O-N 3.21Å; G34-L36 PolarHBondContact O-N 2.89Å; G34-M37 PolarHBondContact O-N 2.96Å; G34-L38 PolarHBondContact O-N 2.87Å
35G73.8Confident72.9Confident0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-65-39.3177.200000113.3T31 M37 L38 S39 S70T31-G35 PolarHBondContact O-N 3.27Å; G35-M37 VanDerWaalsContact C-N 3.32Å; G35-M37 PolarHBondContact O-N 3.44Å; G35-L38 PolarHBondContact O-N 3.37Å; G35-S39 PolarHBondContact O-N 2.86Å; G35-S39 VanDerWaalsContact O-N 3.1Å; G35-S39 PolarHBondContact O-OG 2.73Å; G35-S70 VanDerWaalsContact CA-CB 3.46Å
36L80.4Confident74.2Confident96 Ų9640.3 Ų40.350%0.50322%0.22SC..Hα-helixtrans-62.9-39.8173-74.5169.2000111.8L32 G34 S39 L40L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 3.4Å; L32-L36 WeakPolarHBondContact O-CD1 3.37Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.3Å; G34-L36 PolarHBondContact O-N 2.89Å; L36-S39 PolarHBondContact O-N 2.98Å; L36-L40 WeakPolarHBondContact O-CB 3.29Å; L36-L40 WeakPolarHBondContact O-CD1 3.17Å; L36-L40 PolarHBondContact O-N 3.43Å
37M77.2Confident75.3Confident31 Ų3139.2 Ų39.215%0.15322%0.216CC..Hα-helixtrans-65.9-41.8179.3-117.7160.185.100112.6S33 G34 G35 S39 L40 G41 N170 T173 L174S33-M37 WeakPolarHBondContact O-CB 3.47Å; S33-M37 PolarHBondContact O-N 3.26Å; G34-M37 PolarHBondContact O-N 2.96Å; G35-M37 VanDerWaalsContact C-N 3.32Å; G35-M37 PolarHBondContact O-N 3.44Å; M37-S39 PolarHBondContact O-N 3.15Å; M37-L40 WeakPolarHBondContact O-CB 3.41Å; M37-L40 PolarHBondContact O-N 2.94Å; M37-G41 PolarHBondContact O-N 3.06Å; M37-N170 HydrophobicContact CE-CB 4.33Å; M37-N170 WeakPolarHBondContact CE-O 3.39Å; M37-N170 HydrophobicContact SD-CB 4.45Å; M37-T173 VanDerWaalsContact CE-CB 3.4Å; M37-T173 HydrophobicContact CE-CG2 3.38Å; M37-L174 HydrophobicContact CE-CB 4.47Å; M37-L174 HydrophobicContact CG-CD1 4.3Å
38L75.6Confident76.4Confident10 Ų1043.9 Ų43.95%0.05223%0.23CC..Hα-helixtrans-61.9-43.5173.4-101.490.9000112.2G34 G35 L40 G41 D42 V66 Y74 F115 D177G34-L38 PolarHBondContact O-N 2.87Å; G35-L38 PolarHBondContact O-N 3.37Å; L38-L40 VanDerWaalsContact C-N 3.31Å; L38-L40 PolarHBondContact O-N 2.84Å; L38-G41 PolarHBondContact O-N 2.9Å; L38-D42 PolarHBondContact O-N 3.38Å; L38-V66 HydrophobicContact CB-CG1 4.08Å; L38-V66 HydrophobicContact CD2-CG1 4.46Å; L38-Y74 HydrophobicContact CD1-CE2 3.96Å; L38-Y74 WeakPolarHBondContact CD1-OH 3.23Å; L38-F115 HydrophobicContact CD2-CD2 3.76Å; L38-F115 HydrophobicContact CD2-CE2 3.64Å; L38-D177 HydrophobicContact CG-CB 4.49Å
39S81.9Confident77.5Confident9 Ų939.9 Ų39.96%0.06321%0.209CC..Hα-helixtrans-63.9-37.6176-630000112.3G35 L36 M37 D42 I43 L67G35-S39 PolarHBondContact O-N 2.86Å; G35-S39 VanDerWaalsContact O-N 3.1Å; G35-S39 PolarHBondContact O-OG 2.73Å; L36-S39 PolarHBondContact O-N 2.98Å; M37-S39 PolarHBondContact O-N 3.15Å; S39-D42 PolarHBondContact O-N 3.43Å; S39-I43 WeakPolarHBondContact O-CD1 3.35Å; S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.33Å; S39-I43 PolarHBondContact O-N 2.99Å; S39-L67 WeakPolarHBondContact OG-CA 3.44Å; S39-L67 VanDerWaalsContact OG-CB 3.27Å; S39-L67 WeakPolarHBondContact OG-CB 3.28Å; S39-L67 WeakPolarHBondContact OG-CD1 3.41Å
40L84.6Confident78.5Confident96 Ų9640.6 Ų40.650%0.50321%0.212SC..Hα-helixtrans-63.2-42.4172.7-99.3140.2000112L36 M37 L38 D42 I43 L44 L174L36-L40 WeakPolarHBondContact O-CB 3.29Å; L36-L40 WeakPolarHBondContact O-CD1 3.17Å; L36-L40 PolarHBondContact O-N 3.43Å; M37-L40 WeakPolarHBondContact O-CB 3.41Å; M37-L40 PolarHBondContact O-N 2.94Å; L38-L40 VanDerWaalsContact C-N 3.31Å; L38-L40 PolarHBondContact O-N 2.84Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-I43 PolarHBondContact O-N 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.45Å; L40-L44 PolarHBondContact O-N 2.93Å; L40-L174 HydrophobicContact CB-CD1 3.99Å
41G80.6Confident79.1Confident0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-61.3-41.9174.100000112.3M37 L38 L44 Q45M37-G41 PolarHBondContact O-N 3.06Å; L38-G41 PolarHBondContact O-N 2.9Å; G41-L44 PolarHBondContact O-N 2.94Å; G41-Q45 WeakPolarHBondContact O-CB 3.48Å; G41-Q45 PolarHBondContact O-N 3.15Å
42D82.1Confident79.7Confident1 Ų157 Ų571%0.00527%0.268CS..Hα-helixtrans-64.4-43.4174.9-17169000112.1L38 S39 L40 L44 Q45 Q46 R62 T63 V66 S181L38-D42 PolarHBondContact O-N 3.38Å; S39-D42 PolarHBondContact O-N 3.43Å; L40-D42 VanDerWaalsContact C-N 3.34Å; D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.16Å; D42-Q45 PolarHBondContact O-N 3.38Å; D42-Q46 WeakPolarHBondContact O-CG 3.37Å; D42-Q46 PolarHBondContact O-N 3.38Å; D42-Q46 PolarHBondContact OD2-NE2 3.13Å; D42-R62 IonicContact OD1-CZ 2.7Å; D42-R62 IonicContact OD1-NE 2.74Å; D42-R62 PolarHBondContact OD1-NE 3.08Å; D42-R62 IonicContact OD1-NH2 2.74Å; D42-R62 PolarHBondContact OD1-NH2 2.92Å; D42-R62 IonicContact OD2-NE 3.7Å; D42-T63 WeakPolarHBondContact OD2-CA 3.38Å; D42-T63 PolarHBondContact OD2-OG1 3.26Å; D42-V66 HydrophobicContact CB-CG1 4.45Å; D42-V66 HydrophobicContact CB-CG2 4.42Å; D42-S181 PolarHBondContact OD1-OG 3.22Å
43I86.1Confident80.1Confident54 Ų5455.8 Ų55.828%0.27726%0.26SS..Hα-helixtrans-60-42.2174.2-70.4159000110.9S39 L40 Q45 Q46 T47 T63S39-I43 WeakPolarHBondContact O-CD1 3.35Å; S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.33Å; S39-I43 PolarHBondContact O-N 2.99Å; L40-I43 PolarHBondContact O-N 3.28Å; I43-Q45 VanDerWaalsContact C-N 3.32Å; I43-Q46 PolarHBondContact O-N 3.08Å; I43-T47 WeakPolarHBondContact O-CB 3.37Å; I43-T47 PolarHBondContact O-N 3.39Å; I43-T47 PolarHBondContact O-OG1 2.93Å; I43-T63 HydrophobicContact CD1-CG2 4.05Å; I43-T63 HydrophobicContact CG1-CG2 3.81Å
44L85Confident79.8Confident75 Ų7558.9 Ų58.939%0.39328%0.279SS..Hα-helixtrans-65.6-39.1179-17360000111.3L40 G41 D42 T47 R48 T178L40-L44 WeakPolarHBondContact O-CB 3.45Å; L40-L44 PolarHBondContact O-N 2.93Å; G41-L44 PolarHBondContact O-N 2.94Å; D42-L44 VanDerWaalsContact C-N 3.3Å; D42-L44 PolarHBondContact O-N 3.16Å; L44-T47 WeakPolarHBondContact O-CB 3.49Å; L44-T47 PolarHBondContact O-N 3.34Å; L44-R48 PolarHBondContact O-N 3.44Å; L44-T178 HydrophobicContact CB-CG2 4.3Å; L44-T178 HydrophobicContact CD2-CG2 4.16Å; L44-T178 HydrophobicContact CG-CG2 4.2Å
45Q83.7Confident79.9Confident12 Ų1262 Ų626%0.05631%0.311CS..Hα-helixtrans-65.6-47.7175.7178.953.52500111.8G41 D42 I43 T47 R48 E49 T178G41-Q45 WeakPolarHBondContact O-CB 3.48Å; G41-Q45 PolarHBondContact O-N 3.15Å; D42-Q45 PolarHBondContact O-N 3.38Å; I43-Q45 VanDerWaalsContact C-N 3.32Å; Q45-T47 PolarHBondContact O-N 3.46Å; Q45-R48 WeakPolarHBondContact O-CA 3.43Å; Q45-R48 WeakPolarHBondContact O-CB 3.43Å; Q45-R48 PolarHBondContact O-N 3.47Å; Q45-E49 PolarHBondContact NE2-OE1 2.84Å; Q45-E49 VanDerWaalsContact NE2-OE1 3.13Å; Q45-E49 PolarHBondContact O-N 3.3Å; Q45-T178 HydrophobicContact CB-CG2 4.2Å
46Q81.8Confident80Confident4 Ų465.5 Ų65.52%0.01932%0.324CS..Hα-helixtrans-62.1-30.8174.3-67.6-170.532.600112.1D42 I43 E49 N50 R58 D59 T63D42-Q46 WeakPolarHBondContact O-CG 3.37Å; D42-Q46 PolarHBondContact O-N 3.38Å; D42-Q46 PolarHBondContact OD2-NE2 3.13Å; I43-Q46 PolarHBondContact O-N 3.08Å; Q46-E49 PolarHBondContact O-N 3.04Å; Q46-N50 WeakPolarHBondContact O-CB 3.36Å; Q46-N50 PolarHBondContact O-N 3.11Å; Q46-N50 PolarHBondContact O-OD1 2.92Å; Q46-R58 HydrophobicContact CB-CG 4.43Å; Q46-D59 PolarHBondContact NE2-O 2.89Å; Q46-D59 PolarHBondContact OE1-O 3.3Å; Q46-T63 PolarHBondContact NE2-OG1 2.92Å
47T84.9Confident80Confident42 Ų4267.1 Ų67.126%0.25834%0.338SS..Hα-helixtrans-67.8-36.6173.3-590000111.8I43 L44 Q45 R51I43-T47 WeakPolarHBondContact O-CB 3.37Å; I43-T47 PolarHBondContact O-N 3.39Å; I43-T47 PolarHBondContact O-OG1 2.93Å; L44-T47 WeakPolarHBondContact O-CB 3.49Å; L44-T47 PolarHBondContact O-N 3.34Å; Q45-T47 PolarHBondContact O-N 3.46Å; T47-R51 WeakPolarHBondContact O-CG 3.42Å; T47-R51 PolarHBondContact O-N 2.87Å
48R83.1Confident80.2Confident148 Ų14869.5 Ų69.556%0.55835%0.345SS*.Hα-helixtrans-67.7-42172.2-82.4-178.1168.2157-2.4112.1L44 Q45 R51 R52L44-R48 PolarHBondContact O-N 3.44Å; Q45-R48 WeakPolarHBondContact O-CA 3.43Å; Q45-R48 WeakPolarHBondContact O-CB 3.43Å; Q45-R48 PolarHBondContact O-N 3.47Å; R48-R51 PolarHBondContact O-N 2.78Å; R48-R51 VanDerWaalsContact O-N 3.15Å; R48-R52 PolarHBondContact O-N 3.09Å; R48-R52 VanDerWaalsContact O-N 3.11Å
49E82.4Confident80.6Confident12 Ų1272.8 Ų72.86%0.05636%0.363CS..Hα-helixtrans-59-49.3175.4-69.8169.2-160.800110.7Q45 Q46 R51 R52 E53 R56 R62Q45-E49 PolarHBondContact NE2-OE1 2.84Å; Q45-E49 VanDerWaalsContact NE2-OE1 3.13Å; Q45-E49 PolarHBondContact O-N 3.3Å; Q46-E49 PolarHBondContact O-N 3.04Å; E49-R51 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact O-N 3.15Å; E49-R52 PolarHBondContact O-N 3.37Å; E49-E53 PolarHBondContact O-N 2.87Å; E49-R56 IonicContact OE2-CZ 3.87Å; E49-R56 IonicContact OE2-NE 3.34Å; E49-R56 IonicContact OE2-NH2 2.69Å; E49-R56 PolarHBondContact OE2-NH2 3.05Å; E49-R62 IonicContact OE1-NH1 2.81Å; E49-R62 IonicContact OE1-NH2 2.8Å; E49-R62 IonicContact OE2-NH1 3.52Å; E49-R62 PolarHBondContact OE2-NH1 2.98Å
50N83.4Confident80.6Confident38 Ų3880.2 Ų80.220%0.20339%0.389CS..Hα-helixtrans-61.4-24.1175.6-77.123.4000114.4Q46 R56 R58Q46-N50 WeakPolarHBondContact O-CB 3.36Å; Q46-N50 PolarHBondContact O-N 3.11Å; Q46-N50 PolarHBondContact O-OD1 2.92Å; N50-R56 VanDerWaalsContact CG-O 3.24Å; N50-R56 PolarHBondContact ND2-O 3.18Å; N50-R56 PolarHBondContact OD1-O 3.26Å; N50-R58 PolarHBondContact ND2-NH2 2.82Å
51R79.3Confident80.4Confident214 Ų21483.6 Ų83.681%0.80840%0.4SS*.Hα-helixtrans-81-26.4174.3-79.8-176.3-179.6-106.83.1112.7T47 R48 E49T47-R51 WeakPolarHBondContact O-CG 3.42Å; T47-R51 PolarHBondContact O-N 2.87Å; R48-R51 PolarHBondContact O-N 2.78Å; R48-R51 VanDerWaalsContact O-N 3.15Å; E49-R51 PolarHBondContact O-N 3.35Å; E49-R51 VanDerWaalsContact O-N 3.15Å
52R77.6Confident80.2Confident200 Ų20084.6 Ų84.676%0.75540%0.404SS*.Hα-helixtrans-81.3-39.4174.8-75.8-173.4172.3-167.3-1.8111.6R48 E49 P54R48-R52 PolarHBondContact O-N 3.09Å; R48-R52 VanDerWaalsContact O-N 3.11Å; E49-R52 PolarHBondContact O-N 3.37Å; R52-P54 WeakPolarHBondContact O-CD 3.41Å
53E77.3Confident80.2Confident57 Ų5785.1 Ų85.127%0.26641%0.407SS..SBendtrans-115.389.9-179.7-70.6161.1-136.800110E49 G55 R56E49-E53 PolarHBondContact O-N 2.87Å; E53-G55 PolarHBondContact O-N 3.39Å; E53-R56 HydrophobicContact CB-CB 4.33Å; E53-R56 PolarHBondContact O-N 3.01Å; E53-R56 IonicContact OE1-NH1 3.37Å; E53-R56 PolarHBondContact OE1-NH1 3Å; E53-R56 WeakPolarHBondContact OE2-CD 3.43Å; E53-R56 IonicContact OE2-CZ 3.17Å; E53-R56 IonicContact OE2-NH1 2.87Å; E53-R56 PolarHBondContact OE2-NH1 2.9Å
54P66.5Low79.9Confident128 Ų12883.9 Ų83.983%0.83141%0.408SS*.THydrogen-bonded Turntrans-67.899.3177.727.6-33.9000110.1R52R52-P54 WeakPolarHBondContact O-CD 3.41Å
55G70.8Confident79.6Confident75 Ų7583.5 Ų83.577%0.77340%0.403SS*.THydrogen-bonded Turntrans147.2-18.8-176.600000113.4E53 V57E53-G55 PolarHBondContact O-N 3.39Å; G55-V57 PolarHBondContact O-N 3.42Å
56R75.6Confident79.3Confident74 Ų7483 Ų8328%0.27940%0.401SS..PPolyproline II helixtrans-69.7125.7179.8-168.6173.7-178.6137-9.2112.2E49 N50 E53E49-R56 IonicContact OE2-CZ 3.87Å; E49-R56 IonicContact OE2-NE 3.34Å; E49-R56 IonicContact OE2-NH2 2.69Å; E49-R56 PolarHBondContact OE2-NH2 3.05Å; N50-R56 VanDerWaalsContact CG-O 3.24Å; N50-R56 PolarHBondContact ND2-O 3.18Å; N50-R56 PolarHBondContact OD1-O 3.26Å; E53-R56 HydrophobicContact CB-CB 4.33Å; E53-R56 PolarHBondContact O-N 3.01Å; E53-R56 IonicContact OE1-NH1 3.37Å; E53-R56 PolarHBondContact OE1-NH1 3Å; E53-R56 WeakPolarHBondContact OE2-CD 3.43Å; E53-R56 IonicContact OE2-CZ 3.17Å; E53-R56 IonicContact OE2-NH1 2.87Å; E53-R56 PolarHBondContact OE2-NH1 2.9Å
57V80.8Confident79.4Confident130 Ų13086 Ų8679%0.78842%0.417SS*.PPolyproline II helixtrans-84140.9175.6-172.10000109.3G55 D59G55-V57 PolarHBondContact O-N 3.42Å; V57-D59 PolarHBondContact O-N 3Å
58R82Confident79.1Confident81 Ų8190 Ų9031%0.30643%0.432SS..PPolyproline II helixtrans-65.8130-179.6-166.7155.5-60.312518.7111.5Q46 N50 W60Q46-R58 HydrophobicContact CB-CG 4.43Å; N50-R58 PolarHBondContact ND2-NH2 2.82Å; R58-W60 PolarHBondContact O-N 2.93Å
59D82.5Confident78.8Confident78 Ų7884 Ų8442%0.41741%0.411SS..  trans-90.590.8178.1-170.6-6.8000111.2Q46 V57 K61 R62 T63Q46-D59 PolarHBondContact NE2-O 2.89Å; Q46-D59 PolarHBondContact OE1-O 3.3Å; V57-D59 PolarHBondContact O-N 3Å; D59-K61 PolarHBondContact O-N 3.37Å; D59-K61 WeakPolarHBondContact OD1-CA 3.38Å; D59-K61 VanDerWaalsContact OD1-CB 3.29Å; D59-K61 WeakPolarHBondContact OD1-CB 3.46Å; D59-K61 PolarHBondContact OD1-N 3.45Å; D59-R62 HydrophobicContact CB-CB 4.06Å; D59-R62 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact OD1-N 2.79Å; D59-R62 VanDerWaalsContact OD1-N 3.09Å; D59-T63 PolarHBondContact O-N 3.43Å
60W82.2Confident78.2Confident166 Ų16683.6 Ų83.663%0.62941%0.41SS*.Hα-helixtrans-66.8-24174.6-64103.9000113.3R58 G64R58-W60 PolarHBondContact O-N 2.93Å; W60-G64 PolarHBondContact O-N 3.15Å
61K81.1Confident77.8Confident167 Ų16784.6 Ų84.673%0.72642%0.417SS*.Hα-helixtrans-70.5-40177-63.8179.2-179.9176.10110D59 G64 K65D59-K61 PolarHBondContact O-N 3.37Å; D59-K61 WeakPolarHBondContact OD1-CA 3.38Å; D59-K61 VanDerWaalsContact OD1-CB 3.29Å; D59-K61 WeakPolarHBondContact OD1-CB 3.46Å; D59-K61 PolarHBondContact OD1-N 3.45Å; K61-G64 PolarHBondContact O-N 3.47Å; K61-K65 WeakPolarHBondContact O-CG 3.26Å; K61-K65 PolarHBondContact O-N 3.36Å
62R76.8Confident77.6Confident20 Ų2082.1 Ų82.18%0.07541%0.413CS..Hα-helixtrans-58.6-51.8172.4172.7177.6158.2179.6-0.7111.5D42 E49 D59 G64 K65 V66 S181 H185D42-R62 IonicContact OD1-CZ 2.7Å; D42-R62 IonicContact OD1-NE 2.74Å; D42-R62 PolarHBondContact OD1-NE 3.08Å; D42-R62 IonicContact OD1-NH2 2.74Å; D42-R62 PolarHBondContact OD1-NH2 2.92Å; D42-R62 IonicContact OD2-NE 3.7Å; E49-R62 IonicContact OE1-NH1 2.81Å; E49-R62 IonicContact OE1-NH2 2.8Å; E49-R62 IonicContact OE2-NH1 3.52Å; E49-R62 PolarHBondContact OE2-NH1 2.98Å; D59-R62 HydrophobicContact CB-CB 4.06Å; D59-R62 PolarHBondContact O-N 2.96Å; D59-R62 PolarHBondContact OD1-N 2.79Å; D59-R62 VanDerWaalsContact OD1-N 3.09Å; R62-G64 VanDerWaalsContact C-N 3.28Å; R62-G64 PolarHBondContact O-N 3.47Å; R62-K65 PolarHBondContact O-N 3.06Å; R62-K65 VanDerWaalsContact O-N 3.16Å; R62-V66 WeakPolarHBondContact O-CG2 3.42Å; R62-V66 PolarHBondContact O-N 3.35Å; R62-S181 PolarHBondContact NH2-OG 2.75Å; R62-H185 VanDerWaalsContact CZ-ND1 3.28Å; R62-H185 PolarHBondContact NE-CE1 3.41Å; R62-H185 VanDerWaalsContact NE-CE1 3.26Å; R62-H185 PolarHBondContact NE-NE2 2.91Å; R62-H185 PolarHBondContact NH1-CD2 3.38Å; R62-H185 PolarHBondContact NH2-CE1 2.83Å; R62-H185 VanDerWaalsContact NH2-CG 3.29Å; R62-H185 PolarHBondContact NH2-ND1 3.03Å
63T81.7Confident77.1Confident12 Ų1273.7 Ų73.77%0.07438%0.384CS..Hα-helixtrans-61.8-37.7178.7-54.20000111.9D42 I43 Q46 D59 V66 L67D42-T63 WeakPolarHBondContact OD2-CA 3.38Å; D42-T63 PolarHBondContact OD2-OG1 3.26Å; I43-T63 HydrophobicContact CD1-CG2 4.05Å; I43-T63 HydrophobicContact CG1-CG2 3.81Å; Q46-T63 PolarHBondContact NE2-OG1 2.92Å; D59-T63 PolarHBondContact O-N 3.43Å; T63-V66 PolarHBondContact O-N 2.86Å; T63-L67 WeakPolarHBondContact O-CB 3.27Å; T63-L67 PolarHBondContact O-N 3.34Å
64G80.5Confident76.7Confident29 Ų2973.1 Ų73.130%0.29938%0.38SS..Hα-helixtrans-62-42.9174.500000113.2W60 K61 R62 L67 Q68W60-G64 PolarHBondContact O-N 3.15Å; K61-G64 PolarHBondContact O-N 3.47Å; R62-G64 VanDerWaalsContact C-N 3.28Å; R62-G64 PolarHBondContact O-N 3.47Å; G64-L67 PolarHBondContact O-N 3.38Å; G64-Q68 WeakPolarHBondContact O-CB 3.27Å; G64-Q68 WeakPolarHBondContact O-CG 3.41Å; G64-Q68 PolarHBondContact O-N 3.3Å
65K78.4Confident76.7Confident66 Ų6669.4 Ų69.429%0.28736%0.356SS..Hα-helixtrans-65.2-41.2175.4-71.1177.1-176.8-166.60112.1K61 R62 L67 Q68 L69 L122K61-K65 WeakPolarHBondContact O-CG 3.26Å; K61-K65 PolarHBondContact O-N 3.36Å; R62-K65 PolarHBondContact O-N 3.06Å; R62-K65 VanDerWaalsContact O-N 3.16Å; K65-L67 VanDerWaalsContact C-N 3.31Å; K65-L67 PolarHBondContact O-N 3.24Å; K65-Q68 PolarHBondContact O-N 2.86Å; K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 PolarHBondContact O-N 2.92Å; K65-L122 HydrophobicContact CD-CB 4.38Å; K65-L122 WeakPolarHBondContact CE-O 3.35Å; K65-L122 PolarHBondContact NZ-O 3.29Å
66V77.1Confident76.4Confident2 Ų269.7 Ų69.71%0.01234%0.342CS..Hα-helixtrans-59.6-43.9173.4172.70000110.6L38 D42 R62 T63 S70 F115 M119L38-V66 HydrophobicContact CB-CG1 4.08Å; L38-V66 HydrophobicContact CD2-CG1 4.46Å; D42-V66 HydrophobicContact CB-CG1 4.45Å; D42-V66 HydrophobicContact CB-CG2 4.42Å; R62-V66 WeakPolarHBondContact O-CG2 3.42Å; R62-V66 PolarHBondContact O-N 3.35Å; T63-V66 PolarHBondContact O-N 2.86Å; V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.14Å; V66-S70 PolarHBondContact O-OG 2.87Å; V66-F115 HydrophobicContact CG1-CE2 4.41Å; V66-M119 HydrophobicContact CG2-CE 3.49Å; V66-M119 VanDerWaalsContact CG2-CE 3.49Å; V66-M119 HydrophobicContact CG2-SD 3.79Å
67L82.8Confident75.9Confident67 Ų6766.7 Ų66.735%0.35133%0.332SS..Hα-helixtrans-65.5-44.1178.2-174.660.4000112S39 T63 G64 K65 S70 T71S39-L67 WeakPolarHBondContact OG-CA 3.44Å; S39-L67 VanDerWaalsContact OG-CB 3.27Å; S39-L67 WeakPolarHBondContact OG-CB 3.28Å; S39-L67 WeakPolarHBondContact OG-CD1 3.41Å; T63-L67 WeakPolarHBondContact O-CB 3.27Å; T63-L67 PolarHBondContact O-N 3.34Å; G64-L67 PolarHBondContact O-N 3.38Å; K65-L67 VanDerWaalsContact C-N 3.31Å; K65-L67 PolarHBondContact O-N 3.24Å; L67-S70 PolarHBondContact O-N 3.23Å; L67-T71 VanDerWaalsContact O-CB 3.31Å; L67-T71 WeakPolarHBondContact O-CB 3.43Å; L67-T71 PolarHBondContact O-N 3.37Å; L67-T71 PolarHBondContact O-OG1 3.26Å
68Q79.2Confident75.2Confident126 Ų12662 Ų6259%0.58930%0.302SS*.Hα-helixtrans-62.3-48.9178.4-78.1174.8-23.700111.5G64 K65 S70 T71 F72G64-Q68 WeakPolarHBondContact O-CB 3.27Å; G64-Q68 WeakPolarHBondContact O-CG 3.41Å; G64-Q68 PolarHBondContact O-N 3.3Å; K65-Q68 PolarHBondContact O-N 2.86Å; Q68-S70 VanDerWaalsContact C-N 3.33Å; Q68-S70 PolarHBondContact O-N 3.48Å; Q68-T71 PolarHBondContact O-N 3.2Å; Q68-F72 WeakPolarHBondContact O-CB 3.47Å; Q68-F72 PolarHBondContact O-N 3.46Å; Q68-F72 VanDerWaalsContact O-N 3.07Å
69L76.6Confident74.3Confident21 Ų2161.3 Ų61.311%0.1131%0.309CS..Hα-helixtrans-59.5-46.8176.9-173.663000111K65 T71 F72 C73 F115 M119 L122K65-L69 WeakPolarHBondContact O-CB 3.48Å; K65-L69 PolarHBondContact O-N 2.92Å; L69-T71 PolarHBondContact O-N 3.44Å; L69-F72 PolarHBondContact O-N 2.99Å; L69-C73 VanDerWaalsContact O-CB 3.29Å; L69-C73 WeakPolarHBondContact O-CB 3.16Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 3.36Å; L69-C73 VanDerWaalsContact O-SG 3.38Å; L69-F115 HydrophobicContact CD2-CD2 4.37Å; L69-M119 HydrophobicContact CD2-CB 4.4Å; L69-M119 HydrophobicContact CD2-CG 3.57Å; L69-M119 HydrophobicContact CD2-SD 3.79Å; L69-L122 HydrophobicContact CB-CD1 3.6Å; L69-L122 HydrophobicContact CD1-CD1 3.81Å; L69-L122 HydrophobicContact CD2-CD1 4.28Å; L69-L122 HydrophobicContact CG-CD1 4.09Å
70S71.1Confident73.5Confident4 Ų461.7 Ų61.73%0.02831%0.31CS..Hα-helixtrans-65.5-43.1-177.8-54.50000111.6G35 V66 L67 Q68 F72 C73 Y74G35-S70 VanDerWaalsContact CA-CB 3.46Å; V66-S70 VanDerWaalsContact O-CB 3.27Å; V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.14Å; V66-S70 PolarHBondContact O-OG 2.87Å; L67-S70 PolarHBondContact O-N 3.23Å; Q68-S70 VanDerWaalsContact C-N 3.33Å; Q68-S70 PolarHBondContact O-N 3.48Å; S70-F72 VanDerWaalsContact C-N 3.3Å; S70-F72 PolarHBondContact O-N 2.78Å; S70-C73 PolarHBondContact O-N 3.17Å; S70-Y74 VanDerWaalsContact O-CB 3.23Å; S70-Y74 WeakPolarHBondContact O-CB 3.46Å; S70-Y74 VanDerWaalsContact O-CD2 3.24Å; S70-Y74 WeakPolarHBondContact O-CD2 3.45Å; S70-Y74 PolarHBondContact O-N 2.75Å
71T74.2Confident72.4Confident59 Ų5956 Ų5636%0.36229%0.289SS..Hα-helixtrans-65.5-34.1179.7-54.80000112.1L67 Q68 L69 P75L67-T71 VanDerWaalsContact O-CB 3.31Å; L67-T71 WeakPolarHBondContact O-CB 3.43Å; L67-T71 PolarHBondContact O-N 3.37Å; L67-T71 PolarHBondContact O-OG1 3.26Å; Q68-T71 PolarHBondContact O-N 3.2Å; L69-T71 PolarHBondContact O-N 3.44Å; T71-P75 WeakPolarHBondContact O-CD 3.38Å; T71-P75 WeakPolarHBondContact O-CG 3.37Å
72F74.4Confident71.6Confident162 Ų16252.8 Ų52.871%0.71128%0.279SS*.Hα-helixtrans-79.4-37.2179.4-169.5-103.1000113Q68 L69 S70 P75Q68-F72 WeakPolarHBondContact O-CB 3.47Å; Q68-F72 PolarHBondContact O-N 3.46Å; Q68-F72 VanDerWaalsContact O-N 3.07Å; L69-F72 PolarHBondContact O-N 2.99Å; S70-F72 VanDerWaalsContact C-N 3.3Å; S70-F72 PolarHBondContact O-N 2.78Å; F72-P75 WeakPolarHBondContact O-CD 3.4Å
73C68Low70.8Confident23 Ų2355.7 Ų55.716%0.15530%0.3CS..Hα-helixtrans-91.3-33.2-172.5-66.10000114.1L69 S70 V76 I77L69-C73 VanDerWaalsContact O-CB 3.29Å; L69-C73 WeakPolarHBondContact O-CB 3.16Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 3.36Å; L69-C73 VanDerWaalsContact O-SG 3.38Å; S70-C73 PolarHBondContact O-N 3.17Å; C73-V76 PolarHBondContact O-N 3.17Å; C73-I77 WeakPolarHBondContact O-CG1 3.42Å; C73-I77 PolarHBondContact O-N 3.36Å; C73-I77 VanDerWaalsContact O-N 3.09Å
74Y67.7Low69.6Low46 Ų4656.8 Ų56.818%0.1831%0.31CS..Hα-helixtrans-56.7-38.3177.7-94.9-108.5000115.5L38 S70 V76 I77 N78L38-Y74 HydrophobicContact CD1-CE2 3.96Å; L38-Y74 WeakPolarHBondContact CD1-OH 3.23Å; S70-Y74 VanDerWaalsContact O-CB 3.23Å; S70-Y74 WeakPolarHBondContact O-CB 3.46Å; S70-Y74 VanDerWaalsContact O-CD2 3.24Å; S70-Y74 WeakPolarHBondContact O-CD2 3.45Å; S70-Y74 PolarHBondContact O-N 2.75Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; Y74-I77 PolarHBondContact O-N 3.1Å; Y74-N78 PolarHBondContact O-N 3.33Å; Y74-N78 PolarHBondContact O-ND2 3.33Å
75P66.6Low68.4Low49 Ų4956.7 Ų56.732%0.31831%0.308SS..Hα-helixtrans-70.1-3317815-13.3000112.1T31 T71 F72 N78 C79T31-P75 HydrophobicContact CG2-CB 4.35Å; T31-P75 HydrophobicContact CG2-CG 3.87Å; T71-P75 WeakPolarHBondContact O-CD 3.38Å; T71-P75 WeakPolarHBondContact O-CG 3.37Å; F72-P75 WeakPolarHBondContact O-CD 3.4Å; P75-N78 PolarHBondContact O-N 2.86Å; P75-C79 VanDerWaalsContact O-CB 3.25Å; P75-C79 WeakPolarHBondContact O-CB 3.33Å; P75-C79 PolarHBondContact O-N 2.87Å
76V66Low67.4Low81 Ų8157.2 Ų57.249%0.49133%0.325SS..Hα-helixtrans-65.3-46.4175.3179.80000110.4C73 Y74 C79 I80C73-V76 PolarHBondContact O-N 3.17Å; Y74-V76 VanDerWaalsContact C-N 3.35Å; V76-C79 PolarHBondContact O-N 3.14Å; V76-I80 HydrophobicContact CG1-CD1 4.11Å; V76-I80 WeakPolarHBondContact O-CG1 3.41Å; V76-I80 PolarHBondContact O-N 3.19Å
77I64.9Low66.3Low12 Ų1261.9 Ų61.96%0.06236%0.358CS..Hα-helixtrans-57.8-52.1175.8-68.2173.8000109.8C73 Y74 C79 I80 Y81C73-I77 WeakPolarHBondContact O-CG1 3.42Å; C73-I77 PolarHBondContact O-N 3.36Å; C73-I77 VanDerWaalsContact O-N 3.09Å; Y74-I77 PolarHBondContact O-N 3.1Å; I77-C79 VanDerWaalsContact C-N 3.3Å; I77-C79 PolarHBondContact O-N 3.16Å; I77-I80 PolarHBondContact O-N 3Å; I77-Y81 HydrophobicContact CG2-CD2 3.76Å; I77-Y81 HydrophobicContact CG2-CE2 3.55Å; I77-Y81 WeakPolarHBondContact O-CD2 3.41Å; I77-Y81 PolarHBondContact O-N 3.43Å; I77-Y81 VanDerWaalsContact O-N 3.1Å
78N64.5Low64.9Low30 Ų3064.5 Ų64.516%0.1637%0.367CS..Hα-helixtrans-63.7-34.8179.8-79.9-89000112.8L27 Y74 P75 Y81 L82L27-N78 HydrophobicContact CD2-CB 3.32Å; Y74-N78 PolarHBondContact O-N 3.33Å; Y74-N78 PolarHBondContact O-ND2 3.33Å; P75-N78 PolarHBondContact O-N 2.86Å; N78-Y81 PolarHBondContact O-N 3.36Å; N78-L82 WeakPolarHBondContact O-CG 3.41Å; N78-L82 PolarHBondContact O-N 3.28Å
79C64.3Low63.5Low68 Ų6862.5 Ų62.546%0.45937%0.371SS..Hα-helixtrans-64.1-46.1178-165.30000111.6P75 V76 I77 Y81 L82 T83P75-C79 VanDerWaalsContact O-CB 3.25Å; P75-C79 WeakPolarHBondContact O-CB 3.33Å; P75-C79 PolarHBondContact O-N 2.87Å; V76-C79 PolarHBondContact O-N 3.14Å; I77-C79 VanDerWaalsContact C-N 3.3Å; I77-C79 PolarHBondContact O-N 3.16Å; C79-Y81 VanDerWaalsContact C-N 3.26Å; C79-Y81 PolarHBondContact O-N 2.95Å; C79-L82 PolarHBondContact O-N 2.93Å; C79-T83 PolarHBondContact O-N 2.83Å; C79-T83 PolarHBondContact O-OG1 3.39Å
80I64.5Low62.3Low86 Ų8666.4 Ų66.444%0.44140%0.397SS..Hα-helixtrans-59.7-38.9174.9-66166.9000110.8V76 I77 T83 A84V76-I80 HydrophobicContact CG1-CD1 4.11Å; V76-I80 WeakPolarHBondContact O-CG1 3.41Å; V76-I80 PolarHBondContact O-N 3.19Å; I77-I80 PolarHBondContact O-N 3Å; I80-T83 PolarHBondContact O-OG1 2.88Å; I80-T83 VanDerWaalsContact O-OG1 3.08Å; I80-A84 WeakPolarHBondContact O-CB 3.2Å; I80-A84 PolarHBondContact O-N 2.84Å
81Y60.8Low61.6Low45 Ų4574.3 Ų74.318%0.17644%0.438CS..Hα-helixtrans-67.9-40.4177.1-82.9-63.6000113.7I77 N78 C79 G85 C103 R107I77-Y81 HydrophobicContact CG2-CD2 3.76Å; I77-Y81 HydrophobicContact CG2-CE2 3.55Å; I77-Y81 WeakPolarHBondContact O-CD2 3.41Å; I77-Y81 PolarHBondContact O-N 3.43Å; I77-Y81 VanDerWaalsContact O-N 3.1Å; N78-Y81 PolarHBondContact O-N 3.36Å; C79-Y81 VanDerWaalsContact C-N 3.26Å; C79-Y81 PolarHBondContact O-N 2.95Å; Y81-G85 PolarHBondContact O-N 3.06Å; Y81-C103 HydrophobicContact CE1-CB 4.32Å; Y81-R107 HydrophobicContact CE2-CB 4.08Å; Y81-R107 HydrophobicContact CE2-CG 4.17Å; Y81-R107 WeakPolarHBondContact OH-CA 3.4Å; Y81-R107 VanDerWaalsContact OH-CB 3.29Å; Y81-R107 WeakPolarHBondContact OH-CB 3.37Å; Y81-R107 PolarHBondContact OH-N 2.83Å
82L62.8Low60.9Low100 Ų10076.8 Ų76.852%0.52445%0.449SS..Hα-helixtrans-70.6-38.4179.6-70.2178.3000111.9L27 N78 C79 G85 A86L27-L82 HydrophobicContact CD1-CD1 3.8Å; L27-L82 HydrophobicContact CD2-CD1 3.49Å; L27-L82 VanDerWaalsContact CD2-CD1 3.49Å; L27-L82 HydrophobicContact CD2-CG 4.45Å; L27-L82 HydrophobicContact CG-CD1 3.7Å; N78-L82 WeakPolarHBondContact O-CG 3.41Å; N78-L82 PolarHBondContact O-N 3.28Å; C79-L82 PolarHBondContact O-N 2.93Å; L82-G85 PolarHBondContact O-N 2.85Å; L82-A86 PolarHBondContact O-N 3.36Å; L82-A86 VanDerWaalsContact O-N 3.09Å
83T60Low60Low82 Ų8277.1 Ų77.150%0.50345%0.453SS..Hα-helixtrans-69.5-41.5175.349.50000111.6C79 I80 G85 A86 S87C79-T83 PolarHBondContact O-N 2.83Å; C79-T83 PolarHBondContact O-OG1 3.39Å; I80-T83 PolarHBondContact O-OG1 2.88Å; I80-T83 VanDerWaalsContact O-OG1 3.08Å; T83-G85 VanDerWaalsContact C-N 3.27Å; T83-G85 PolarHBondContact O-N 3.07Å; T83-A86 PolarHBondContact O-N 3Å; T83-S87 PolarHBondContact O-N 3.46Å; T83-S87 VanDerWaalsContact O-N 3.12Å; T83-S87 PolarHBondContact O-OG 3.38Å
84A57.5Low59.6Low35 Ų3579.7 Ų79.729%0.28947%0.468SS..Hα-helixtrans-65.4-26.717200000113.1I80 F88I80-A84 WeakPolarHBondContact O-CB 3.2Å; I80-A84 PolarHBondContact O-N 2.84Å; A84-F88 WeakPolarHBondContact O-CD2 3.33Å
85G55.3Low59.4Low26 Ų2680.4 Ų80.427%0.26847%0.471SS..Hα-helixtrans-71.1-39.617100000112.5Y81 L82 T83Y81-G85 PolarHBondContact O-N 3.06Å; L82-G85 PolarHBondContact O-N 2.85Å; T83-G85 VanDerWaalsContact C-N 3.27Å; T83-G85 PolarHBondContact O-N 3.07Å
86A58Low58.9Low78 Ų7880.5 Ų80.565%0.64548%0.476SS*.Hα-helixtrans-72.6-32.6-176.300000113.7L82 T83 F88L82-A86 PolarHBondContact O-N 3.36Å; L82-A86 VanDerWaalsContact O-N 3.09Å; T83-A86 PolarHBondContact O-N 3Å; A86-F88 VanDerWaalsContact C-N 3.28Å; A86-F88 PolarHBondContact O-N 2.8Å
87S53.7Low58.4Low99 Ų9981.8 Ų81.869%0.69248%0.48SS*.THydrogen-bonded Turntrans-75.2-11.2-178.4-60.80000114.8T83T83-S87 PolarHBondContact O-N 3.46Å; T83-S87 VanDerWaalsContact O-N 3.12Å; T83-S87 PolarHBondContact O-OG 3.38Å
88F52.3Low58.1Low123 Ų12389.5 Ų89.554%0.53951%0.508SS..THydrogen-bonded Turntrans-122.223.3-170.1-66.6-98.4000114.1A84 A86 T90 Y95A84-F88 WeakPolarHBondContact O-CD2 3.33Å; A86-F88 VanDerWaalsContact C-N 3.28Å; A86-F88 PolarHBondContact O-N 2.8Å; F88-T90 VanDerWaalsContact C-N 3.26Å; F88-T90 PolarHBondContact O-N 2.81Å; F88-Y95 HydrophobicContact CB-CD2 4.12Å; F88-Y95 HydrophobicContact CB-CE2 3.34Å; F88-Y95 HydrophobicContact CG-CE2 4.45Å; F88-Y95 WeakPolarHBondContact O-CD2 3.27Å; F88-Y95 WeakPolarHBondContact O-CE2 3.38Å; F88-Y95 PolarHBondContact O-OH 3.4Å
89A50.3Low57.8Low83 Ų8390.4 Ų90.469%0.68651%0.513SS*.  trans-7173178.500000112.7
90T51.1Low57.5Low104 Ų10492.2 Ų92.264%0.63852%0.518SS*.  trans-129.5145.7166.156.20000111.3F88 D92F88-T90 VanDerWaalsContact C-N 3.26Å; F88-T90 PolarHBondContact O-N 2.81Å; T90-D92 PolarHBondContact O-N 2.69Å
91N57.6Low57Low169 Ų16991.5 Ų91.590%0.90452%0.52SS*.  trans-88.963.1-152-154.817.3000113.5
92D57.8Low56.9Low111 Ų11198.1 Ų98.159%0.59455%0.546SS*.  trans-120.6137.3177.6-82.7-26000113T90 T94 Y95T90-D92 PolarHBondContact O-N 2.69Å; D92-T94 PolarHBondContact O-N 3.07Å; D92-T94 VanDerWaalsContact O-N 3.12Å; D92-Y95 WeakPolarHBondContact O-CA 3.36Å; D92-Y95 WeakPolarHBondContact O-CB 3.47Å; D92-Y95 PolarHBondContact O-N 3.25Å
93Q57.3Low56.7Low170 Ų17094.9 Ų94.979%0.79453%0.531SS*.Hα-helixtrans-56.9-28.5171.9-162.482.419.700111.8Y95Q93-Y95 VanDerWaalsContact C-N 3.29Å; Q93-Y95 PolarHBondContact O-N 2.99Å
94T59.5Low56.5Low77 Ų7794.8 Ų94.847%0.47253%0.527SS..Hα-helixtrans-68.1-26.1174.5-37.80000112.6D92 R98D92-T94 PolarHBondContact O-N 3.07Å; D92-T94 VanDerWaalsContact O-N 3.12Å; T94-R98 WeakPolarHBondContact O-CG 3.48Å; T94-R98 PolarHBondContact O-N 3.4Å; T94-R98 VanDerWaalsContact O-N 3.16Å
95Y61.5Low56.5Low60 Ų6096.5 Ų96.524%0.23553%0.53CS..Hα-helixtrans-70.7-42.8177.2159-107.7000111.6F88 D92 Q93 N97 R98 L99F88-Y95 HydrophobicContact CB-CD2 4.12Å; F88-Y95 HydrophobicContact CB-CE2 3.34Å; F88-Y95 HydrophobicContact CG-CE2 4.45Å; F88-Y95 WeakPolarHBondContact O-CD2 3.27Å; F88-Y95 WeakPolarHBondContact O-CE2 3.38Å; F88-Y95 PolarHBondContact O-OH 3.4Å; D92-Y95 WeakPolarHBondContact O-CA 3.36Å; D92-Y95 WeakPolarHBondContact O-CB 3.47Å; D92-Y95 PolarHBondContact O-N 3.25Å; Q93-Y95 VanDerWaalsContact C-N 3.29Å; Q93-Y95 PolarHBondContact O-N 2.99Å; Y95-N97 VanDerWaalsContact C-N 3.3Å; Y95-N97 PolarHBondContact O-N 2.75Å; Y95-R98 PolarHBondContact O-N 3.06Å; Y95-L99 HydrophobicContact CD2-CB 4.47Å; Y95-L99 HydrophobicContact CE1-CD2 4.37Å; Y95-L99 HydrophobicContact CE2-CB 4.15Å; Y95-L99 HydrophobicContact CE2-CD1 4.44Å; Y95-L99 HydrophobicContact CE2-CD2 4.11Å; Y95-L99 HydrophobicContact CE2-CG 4.47Å; Y95-L99 VanDerWaalsContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CB 3.44Å; Y95-L99 PolarHBondContact O-N 3.43Å
96A57Low56.6Low51 Ų5196.1 Ų96.142%0.42153%0.526SS..Hα-helixtrans-57.1-44.417700000111.6L100A96-L100 WeakPolarHBondContact O-CB 2.79Å; A96-L100 PolarHBondContact O-N 3.14Å
97N55.9Low56.7Low108 Ų10898.7 Ų98.758%0.57852%0.52SS*.Hα-helixtrans-69.9-38.6179-71.9-11.6000113Y95 C101Y95-N97 VanDerWaalsContact C-N 3.3Å; Y95-N97 PolarHBondContact O-N 2.75Å; N97-C101 PolarHBondContact O-N 2.93Å
98R57.7Low57.2Low174 Ų17495 Ų9566%0.65749%0.492SS*.Hα-helixtrans-69.1-42.3177.5-74.5175.4-178.9178.12.1112.2T94 Y95 C101 Y102T94-R98 WeakPolarHBondContact O-CG 3.48Å; T94-R98 PolarHBondContact O-N 3.4Å; T94-R98 VanDerWaalsContact O-N 3.16Å; Y95-R98 PolarHBondContact O-N 3.06Å; R98-C101 PolarHBondContact O-N 3.13Å; R98-Y102 PolarHBondContact O-N 3.3Å
99L59.3Low57.7Low50 Ų5094.1 Ų94.126%0.26249%0.485SS..Hα-helixtrans-65.8-41.2175.8-172.669.7000110.8Y95 C101 Y102 C103Y95-L99 HydrophobicContact CD2-CB 4.47Å; Y95-L99 HydrophobicContact CE1-CD2 4.37Å; Y95-L99 HydrophobicContact CE2-CB 4.15Å; Y95-L99 HydrophobicContact CE2-CD1 4.44Å; Y95-L99 HydrophobicContact CE2-CD2 4.11Å; Y95-L99 HydrophobicContact CE2-CG 4.47Å; Y95-L99 VanDerWaalsContact O-CB 3.3Å; Y95-L99 WeakPolarHBondContact O-CB 3.44Å; Y95-L99 PolarHBondContact O-N 3.43Å; L99-C101 PolarHBondContact O-N 3.32Å; L99-Y102 PolarHBondContact O-N 2.81Å; L99-C103 VanDerWaalsContact O-CB 3.27Å; L99-C103 WeakPolarHBondContact O-CB 3.48Å; L99-C103 PolarHBondContact O-N 2.94Å; L99-C103 PolarHBondContact O-SG 3.1Å
100L56.8Low58.4Low105 Ų10592.9 Ų92.955%0.5547%0.467SS..Hα-helixtrans-60.9-45.3175.9-157.385.1000111.6A96 C103 I104A96-L100 WeakPolarHBondContact O-CB 2.79Å; A96-L100 PolarHBondContact O-N 3.14Å; L100-C103 PolarHBondContact O-N 3.45Å; L100-I104 HydrophobicContact CD2-CD1 4.14Å; L100-I104 HydrophobicContact CG-CD1 3.89Å; L100-I104 WeakPolarHBondContact O-CB 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.88Å
101C55.7Low59Low72 Ų7289.4 Ų89.449%0.48645%0.445SS..Hα-helixtrans-60.8-44.1174.2-80.80000112.2N97 R98 L99 C103 I104 L105N97-C101 PolarHBondContact O-N 2.93Å; R98-C101 PolarHBondContact O-N 3.13Å; L99-C101 PolarHBondContact O-N 3.32Å; C101-C103 VanDerWaalsContact C-N 3.32Å; C101-C103 PolarHBondContact O-N 3.2Å; C101-I104 PolarHBondContact O-N 3Å; C101-L105 HydrophobicContact CB-CD1 4.42Å; C101-L105 VanDerWaalsContact O-CB 3.24Å; C101-L105 WeakPolarHBondContact O-CB 3.19Å; C101-L105 WeakPolarHBondContact O-CG 3.27Å; C101-L105 PolarHBondContact O-N 3.01Å
102Y57.8Low59.5Low184 Ų18481.9 Ų81.972%0.72241%0.405SS*.Hα-helixtrans-62.7-37.9174.2-103-82.2000112.5R98 L99 G106R98-Y102 PolarHBondContact O-N 3.3Å; L99-Y102 PolarHBondContact O-N 2.81Å; Y102-G106 VanDerWaalsContact O-CA 3.23Å; Y102-G106 WeakPolarHBondContact O-CA 3.08Å; Y102-G106 PolarHBondContact O-N 3.41Å
103C58.3Low60Low32 Ų3278.3 Ų78.322%0.21639%0.387CS..Hα-helixtrans-76-23.3-179.7-73.50000114.4Y81 L99 L100 C101 R107Y81-C103 HydrophobicContact CE1-CB 4.32Å; L99-C103 VanDerWaalsContact O-CB 3.27Å; L99-C103 WeakPolarHBondContact O-CB 3.48Å; L99-C103 PolarHBondContact O-N 2.94Å; L99-C103 PolarHBondContact O-SG 3.1Å; L100-C103 PolarHBondContact O-N 3.45Å; C101-C103 VanDerWaalsContact C-N 3.32Å; C101-C103 PolarHBondContact O-N 3.2Å; C103-R107 WeakPolarHBondContact O-CB 3.34Å; C103-R107 PolarHBondContact O-NE 2.99Å
104I56.5Low60.6Low80 Ų8076.4 Ų76.441%0.4137%0.373SS..Hα-helixtrans-91.2-54177-66.3168.8000109.2L100 C101 L108L100-I104 HydrophobicContact CD2-CD1 4.14Å; L100-I104 HydrophobicContact CG-CD1 3.89Å; L100-I104 WeakPolarHBondContact O-CB 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.27Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 2.88Å; C101-I104 PolarHBondContact O-N 3Å; I104-L108 WeakPolarHBondContact O-CB 3.31Å; I104-L108 PolarHBondContact O-N 3.39Å; I104-L108 VanDerWaalsContact O-N 3.08Å
105L56.5Low61.1Low70 Ų7073.4 Ų73.437%0.36635%0.353SS..Hα-helixtrans-70-49.9-178.4-62.6166000110.8C101 R107 L108 W109C101-L105 HydrophobicContact CB-CD1 4.42Å; C101-L105 VanDerWaalsContact O-CB 3.24Å; C101-L105 WeakPolarHBondContact O-CB 3.19Å; C101-L105 WeakPolarHBondContact O-CG 3.27Å; C101-L105 PolarHBondContact O-N 3.01Å; L105-R107 PolarHBondContact O-N 3.1Å; L105-L108 PolarHBondContact O-N 3.33Å; L105-W109 WeakPolarHBondContact O-CB 3.38Å; L105-W109 PolarHBondContact O-N 2.81Å
106G58.3Low61.4Low18 Ų1871.1 Ų71.119%0.18635%0.346CS..Hα-helixtrans-59.7-36.7178.400000112.5Y102 L110Y102-G106 VanDerWaalsContact O-CA 3.23Å; Y102-G106 WeakPolarHBondContact O-CA 3.08Å; Y102-G106 PolarHBondContact O-N 3.41Å; G106-L110 WeakPolarHBondContact O-CB 2.98Å; G106-L110 WeakPolarHBondContact O-CD1 3.06Å; G106-L110 PolarHBondContact O-N 2.84Å
107R60.1Low62.1Low133 Ų13369.7 Ų69.750%0.50233%0.332SS..Hα-helixtrans-75.3-39.4-174.9-172.3134.356.4123.4-2.3110.9Y81 C103 L105 T111Y81-R107 HydrophobicContact CE2-CB 4.08Å; Y81-R107 HydrophobicContact CE2-CG 4.17Å; Y81-R107 WeakPolarHBondContact OH-CA 3.4Å; Y81-R107 VanDerWaalsContact OH-CB 3.29Å; Y81-R107 WeakPolarHBondContact OH-CB 3.37Å; Y81-R107 PolarHBondContact OH-N 2.83Å; C103-R107 WeakPolarHBondContact O-CB 3.34Å; C103-R107 PolarHBondContact O-NE 2.99Å; L105-R107 PolarHBondContact O-N 3.1Å; R107-T111 WeakPolarHBondContact O-CB 3.43Å; R107-T111 PolarHBondContact O-N 2.7Å; R107-T111 PolarHBondContact O-OG1 3.06Å
108L62.8Low62.8Low21 Ų2165 Ų6511%0.1131%0.309CS..Hα-helixtrans-64.5-50.4176.6-17269000111.6I104 L105 T111 L112 F141 D145I104-L108 WeakPolarHBondContact O-CB 3.31Å; I104-L108 PolarHBondContact O-N 3.39Å; I104-L108 VanDerWaalsContact O-N 3.08Å; L105-L108 PolarHBondContact O-N 3.33Å; L108-T111 PolarHBondContact O-N 2.74Å; L108-L112 HydrophobicContact CD1-CD1 4.31Å; L108-L112 HydrophobicContact CG-CD1 4Å; L108-L112 WeakPolarHBondContact O-CD1 3.49Å; L108-L112 PolarHBondContact O-N 2.74Å; L108-L112 VanDerWaalsContact O-N 3.08Å; L108-F141 HydrophobicContact CD1-CE1 3.61Å; L108-F141 HydrophobicContact CD1-CZ 3.47Å; L108-F141 VanDerWaalsContact CD1-CZ 3.47Å; L108-F141 HydrophobicContact CD2-CE1 3.96Å; L108-F141 HydrophobicContact CG-CE1 3.73Å; L108-F141 HydrophobicContact CG-CZ 4.1Å; L108-D145 WeakPolarHBondContact CD1-OD1 3.45Å; L108-D145 HydrophobicContact CD2-CB 4.06Å; L108-D145 WeakPolarHBondContact CD2-OD1 3.2Å; L108-D145 WeakPolarHBondContact CD2-OD2 3.35Å
109W63.3Low63.4Low105 Ų10556.8 Ų56.840%0.39828%0.278SS..Hα-helixtrans-66.1-43.6-177.6-77.974.3000112.4L105 V113 F138L105-W109 WeakPolarHBondContact O-CB 3.38Å; L105-W109 PolarHBondContact O-N 2.81Å; W109-V113 WeakPolarHBondContact O-CB 3.5Å; W109-V113 VanDerWaalsContact O-CG2 3.28Å; W109-V113 WeakPolarHBondContact O-CG2 3.4Å; W109-V113 PolarHBondContact O-N 2.97Å; W109-V113 VanDerWaalsContact O-N 3.14Å; W109-F138 HydrophobicContact CD2-CE2 4.28Å; W109-F138 AromaticContact CE3-CE2 3.96Å; W109-F138 HydrophobicContact CE3-CE2 3.96Å; W109-F138 HydrophobicContact CH2-CD2 4.47Å; W109-F138 AromaticContact CH2-CE1 3.98Å; W109-F138 HydrophobicContact CH2-CE1 3.98Å; W109-F138 AromaticContact CH2-CE2 3.34Å; W109-F138 HydrophobicContact CH2-CE2 3.34Å; W109-F138 AromaticContact CH2-CZ 3.05Å; W109-F138 HydrophobicContact CH2-CZ 3.05Å; W109-F138 HydrophobicContact CZ2-CE1 4.44Å; W109-F138 AromaticContact CZ2-CE2 3.67Å; W109-F138 HydrophobicContact CZ2-CE2 3.67Å; W109-F138 AromaticContact CZ2-CZ 3.31Å; W109-F138 HydrophobicContact CZ2-CZ 3.31Å; W109-F138 HydrophobicContact CZ3-CD2 4.34Å; W109-F138 AromaticContact CZ3-CE2 3.47Å; W109-F138 HydrophobicContact CZ3-CE2 3.47Å; W109-F138 VanDerWaalsContact CZ3-CE2 3.47Å; W109-F138 AromaticContact CZ3-CZ 3.71Å; W109-F138 HydrophobicContact CZ3-CZ 3.71Å
110L65.1Low64.1Low57 Ų5754.4 Ų54.430%0.29827%0.266SS..Hα-helixtrans-63.2-50.8174-93.195.8000110.6G106 L112 V113 W114G106-L110 WeakPolarHBondContact O-CB 2.98Å; G106-L110 WeakPolarHBondContact O-CD1 3.06Å; G106-L110 PolarHBondContact O-N 2.84Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.33Å; L110-V113 PolarHBondContact O-N 3.18Å; L110-W114 VanDerWaalsContact O-CB 3.26Å; L110-W114 WeakPolarHBondContact O-CB 3.43Å; L110-W114 PolarHBondContact O-N 3.04Å
111T64.8Low65Low31 Ų3154.6 Ų54.619%0.1927%0.266CS..Hα-helixtrans-60-38.7-173.5-530000111.7R107 L108 F115R107-T111 WeakPolarHBondContact O-CB 3.43Å; R107-T111 PolarHBondContact O-N 2.7Å; R107-T111 PolarHBondContact O-OG1 3.06Å; L108-T111 PolarHBondContact O-N 2.74Å; T111-F115 WeakPolarHBondContact O-CA 3.46Å; T111-F115 WeakPolarHBondContact O-CB 3.47Å; T111-F115 PolarHBondContact O-N 3.47Å
112L66.9Low65.6Low10 Ų1054 Ų545%0.05226%0.258CS..Hα-helixtrans-68.9-50.5175.3-80.8142.8000114.7L108 L110 W114 F115 C116 F134 F141 L180L108-L112 HydrophobicContact CD1-CD1 4.31Å; L108-L112 HydrophobicContact CG-CD1 4Å; L108-L112 WeakPolarHBondContact O-CD1 3.49Å; L108-L112 PolarHBondContact O-N 2.74Å; L108-L112 VanDerWaalsContact O-N 3.08Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.33Å; L112-W114 PolarHBondContact O-N 2.72Å; L112-F115 PolarHBondContact O-N 2.72Å; L112-C116 WeakPolarHBondContact O-CB 3.43Å; L112-C116 PolarHBondContact O-N 3.2Å; L112-C116 PolarHBondContact O-SG 3.01Å; L112-F134 HydrophobicContact CB-CD2 4.37Å; L112-F134 HydrophobicContact CB-CE2 3.8Å; L112-F141 HydrophobicContact CD1-CD1 3.33Å; L112-F141 HydrophobicContact CD1-CD2 4.42Å; L112-F141 HydrophobicContact CD1-CE1 2.88Å; L112-F141 HydrophobicContact CD1-CE2 4.03Å; L112-F141 HydrophobicContact CD1-CG 4.07Å; L112-F141 HydrophobicContact CD1-CZ 3.19Å; L112-F141 HydrophobicContact CD2-CD1 3.85Å; L112-F141 HydrophobicContact CD2-CD2 3.53Å; L112-F141 HydrophobicContact CD2-CE1 3.91Å; L112-F141 HydrophobicContact CD2-CE2 3.52Å; L112-F141 HydrophobicContact CD2-CG 3.64Å; L112-F141 HydrophobicContact CD2-CZ 3.62Å; L112-F141 HydrophobicContact CG-CD1 4.13Å; L112-F141 HydrophobicContact CG-CD2 4.41Å; L112-F141 HydrophobicContact CG-CE1 3.78Å; L112-F141 HydrophobicContact CG-CE2 4.01Å; L112-F141 HydrophobicContact CG-CG 4.41Å; L112-F141 HydrophobicContact CG-CZ 3.58Å; L112-L180 HydrophobicContact CD2-CD2 3.89Å
113V68.4Low66.2Low36 Ų3647.9 Ų47.922%0.21824%0.236CC..Hα-helixtrans-61.7-43.4-176.4171.80000108.1W109 L110 T117 W131 F134W109-V113 WeakPolarHBondContact O-CB 3.5Å; W109-V113 VanDerWaalsContact O-CG2 3.28Å; W109-V113 WeakPolarHBondContact O-CG2 3.4Å; W109-V113 PolarHBondContact O-N 2.97Å; W109-V113 VanDerWaalsContact O-N 3.14Å; L110-V113 PolarHBondContact O-N 3.18Å; V113-T117 HydrophobicContact CG1-CG2 4.45Å; V113-T117 VanDerWaalsContact O-CB 3.31Å; V113-T117 WeakPolarHBondContact O-CB 3.49Å; V113-T117 WeakPolarHBondContact O-CG2 3.45Å; V113-T117 PolarHBondContact O-N 3.49Å; V113-T117 PolarHBondContact O-OG1 3Å; V113-W131 HydrophobicContact CG1-CZ3 4.18Å; V113-W131 HydrophobicContact CG2-CZ3 4.29Å; V113-F134 HydrophobicContact CG2-CD1 4.38Å; V113-F134 HydrophobicContact CG2-CD2 4.44Å; V113-F134 HydrophobicContact CG2-CE1 3.84Å; V113-F134 HydrophobicContact CG2-CE2 3.91Å; V113-F134 HydrophobicContact CG2-CZ 3.56Å
114W70.4Confident66.8Low131 Ų13149.7 Ų49.750%0.49626%0.261SS..Hα-helixtrans-68-41.6176-69.9118.4000113.3L110 L112 G118L110-W114 VanDerWaalsContact O-CB 3.26Å; L110-W114 WeakPolarHBondContact O-CB 3.43Å; L110-W114 PolarHBondContact O-N 3.04Å; L112-W114 PolarHBondContact O-N 2.72Å; W114-G118 VanDerWaalsContact O-CA 3.24Å; W114-G118 WeakPolarHBondContact O-CA 3.16Å; W114-G118 PolarHBondContact O-N 3.48Å
115F69.6Low67.7Low14 Ų1451.1 Ų51.16%0.06126%0.261CS..Hα-helixtrans-65.2-46.5177.8-176.1-104000111.1L38 V66 L69 T111 L112 M119 K184L38-F115 HydrophobicContact CD2-CD2 3.76Å; L38-F115 HydrophobicContact CD2-CE2 3.64Å; V66-F115 HydrophobicContact CG1-CE2 4.41Å; L69-F115 HydrophobicContact CD2-CD2 4.37Å; T111-F115 WeakPolarHBondContact O-CA 3.46Å; T111-F115 WeakPolarHBondContact O-CB 3.47Å; T111-F115 PolarHBondContact O-N 3.47Å; L112-F115 PolarHBondContact O-N 2.72Å; F115-M119 HydrophobicContact CD2-CG 4.03Å; F115-M119 HydrophobicContact CE1-CG 4.44Å; F115-M119 HydrophobicContact CE2-CG 3.88Å; F115-M119 HydrophobicContact CE2-SD 4.25Å; F115-M119 HydrophobicContact CG-CG 4.37Å; F115-M119 HydrophobicContact CZ-CG 4.11Å; F115-M119 WeakPolarHBondContact O-CB 3.16Å; F115-M119 WeakPolarHBondContact O-CG 3.48Å; F115-M119 PolarHBondContact O-N 3.49Å; F115-K184 HydrophobicContact CE1-CB 4.09Å; F115-K184 HydrophobicContact CE1-CG 4.24Å
116C68.2Low68.9Low12 Ų1250 Ų508%0.08126%0.259CS..Hα-helixtrans-66.5-58.2178.8-68.70000111.2L112 G118 M119 D120 F134L112-C116 WeakPolarHBondContact O-CB 3.43Å; L112-C116 PolarHBondContact O-N 3.2Å; L112-C116 PolarHBondContact O-SG 3.01Å; C116-G118 PolarHBondContact O-N 2.82Å; C116-M119 PolarHBondContact O-N 2.94Å; C116-D120 PolarHBondContact O-N 2.97Å; C116-D120 VanDerWaalsContact O-N 3.08Å; C116-F134 HydrophobicContact CB-CB 4.21Å
117T72.6Confident69.7Low20 Ų2054 Ų5412%0.12328%0.275CS..Hα-helixtrans-67-35.8-17659.50000113.2V113 L121V113-T117 HydrophobicContact CG1-CG2 4.45Å; V113-T117 VanDerWaalsContact O-CB 3.31Å; V113-T117 WeakPolarHBondContact O-CB 3.49Å; V113-T117 WeakPolarHBondContact O-CG2 3.45Å; V113-T117 PolarHBondContact O-N 3.49Å; V113-T117 PolarHBondContact O-OG1 3Å; T117-L121 WeakPolarHBondContact O-CB 3.49Å; T117-L121 PolarHBondContact O-N 3.44Å; T117-L121 VanDerWaalsContact O-N 3.11Å
118G70.5Confident70.5Confident10 Ų1051.6 Ų51.610%0.10328%0.279CS..Hα-helixtrans-71.6-38.4177.600000113W114 C116 L122W114-G118 VanDerWaalsContact O-CA 3.24Å; W114-G118 WeakPolarHBondContact O-CA 3.16Å; W114-G118 PolarHBondContact O-N 3.48Å; C116-G118 PolarHBondContact O-N 2.82Å; G118-L122 WeakPolarHBondContact O-CB 3.11Å; G118-L122 WeakPolarHBondContact O-CD1 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.24Å; G118-L122 PolarHBondContact O-N 2.95Å
119M69.8Low71.2Confident1 Ų154.7 Ų54.71%0.00530%0.296CS..Hα-helixtrans-65.6-41.6174.5-75.8-66-67.900111.4V66 L69 F115 C116 L122 Q123V66-M119 HydrophobicContact CG2-CE 3.49Å; V66-M119 VanDerWaalsContact CG2-CE 3.49Å; V66-M119 HydrophobicContact CG2-SD 3.79Å; L69-M119 HydrophobicContact CD2-CB 4.4Å; L69-M119 HydrophobicContact CD2-CG 3.57Å; L69-M119 HydrophobicContact CD2-SD 3.79Å; F115-M119 HydrophobicContact CD2-CG 4.03Å; F115-M119 HydrophobicContact CE1-CG 4.44Å; F115-M119 HydrophobicContact CE2-CG 3.88Å; F115-M119 HydrophobicContact CE2-SD 4.25Å; F115-M119 HydrophobicContact CG-CG 4.37Å; F115-M119 HydrophobicContact CZ-CG 4.11Å; F115-M119 WeakPolarHBondContact O-CB 3.16Å; F115-M119 WeakPolarHBondContact O-CG 3.48Å; F115-M119 PolarHBondContact O-N 3.49Å; C116-M119 PolarHBondContact O-N 2.94Å; M119-L122 PolarHBondContact O-N 2.93Å; M119-Q123 WeakPolarHBondContact O-CB 3.4Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.4Å; M119-Q123 PolarHBondContact O-N 2.67Å
120D73.3Confident71.7Confident1 Ų149.7 Ų49.71%0.00528%0.277CS..Hα-helixtrans-64.1-41.5178.2-70.4-41.7000112C116 L122 Q123 G124 R125 G130 K184C116-D120 PolarHBondContact O-N 2.97Å; C116-D120 VanDerWaalsContact O-N 3.08Å; D120-L122 PolarHBondContact O-N 3.26Å; D120-Q123 CarbonylContact O-C 3.57Å; D120-Q123 PolarHBondContact O-N 3.14Å; D120-Q123 VanDerWaalsContact O-N 3.13Å; D120-G124 PolarHBondContact O-N 3.02Å; D120-G124 VanDerWaalsContact O-N 3.11Å; D120-R125 HydrophobicContact CB-CB 4.14Å; D120-R125 PolarHBondContact O-N 3.37Å; D120-G130 WeakPolarHBondContact OD2-CA 3.03Å; D120-K184 IonicContact OD1-NZ 3.93Å; D120-K184 PolarHBondContact OD1-NZ 3.36Å; D120-K184 IonicContact OD2-NZ 3.71Å; D120-K184 PolarHBondContact OD2-NZ 3.14Å
121L75Confident72.3Confident108 Ų10853.4 Ų53.457%0.56529%0.287SS*.Hα-helixtrans-61.7-42.6174.4-171.367.1000111.9T117 Q123 G124 L127T117-L121 WeakPolarHBondContact O-CB 3.49Å; T117-L121 PolarHBondContact O-N 3.44Å; T117-L121 VanDerWaalsContact O-N 3.11Å; L121-Q123 PolarHBondContact O-N 3.18Å; L121-G124 PolarHBondContact O-N 3.08Å; L121-G124 VanDerWaalsContact O-N 3.09Å; L121-L127 HydrophobicContact CB-CD2 4.26Å; L121-L127 HydrophobicContact CD1-CD2 4.34Å
122L70Confident73.1Confident61 Ų6155 Ų5532%0.31930%0.303SS..Hα-helixtrans-69.1-20.8176-80.9158.9000113.5K65 L69 G118 M119 D120 G124K65-L122 HydrophobicContact CD-CB 4.38Å; K65-L122 WeakPolarHBondContact CE-O 3.35Å; K65-L122 PolarHBondContact NZ-O 3.29Å; L69-L122 HydrophobicContact CB-CD1 3.6Å; L69-L122 HydrophobicContact CD1-CD1 3.81Å; L69-L122 HydrophobicContact CD2-CD1 4.28Å; L69-L122 HydrophobicContact CG-CD1 4.09Å; G118-L122 WeakPolarHBondContact O-CB 3.11Å; G118-L122 WeakPolarHBondContact O-CD1 3.28Å; G118-L122 WeakPolarHBondContact O-CG 3.24Å; G118-L122 PolarHBondContact O-N 2.95Å; M119-L122 PolarHBondContact O-N 2.93Å; D120-L122 PolarHBondContact O-N 3.26Å; L122-G124 VanDerWaalsContact C-N 3.35Å
123Q70Confident73.6Confident54 Ų5456.4 Ų56.425%0.25231%0.31SS..Hα-helixtrans-88.3-5.2172.8-70.2176.413.100112.6M119 D120 L121M119-Q123 WeakPolarHBondContact O-CB 3.4Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.4Å; M119-Q123 PolarHBondContact O-N 2.67Å; D120-Q123 CarbonylContact O-C 3.57Å; D120-Q123 PolarHBondContact O-N 3.14Å; D120-Q123 VanDerWaalsContact O-N 3.13Å; L121-Q123 PolarHBondContact O-N 3.18Å
124G71.1Confident74.2Confident71 Ų7155.1 Ų55.173%0.73230%0.301SS*.THydrogen-bonded Turntrans83.812.8-179.900000114.1D120 L121 L122D120-G124 PolarHBondContact O-N 3.02Å; D120-G124 VanDerWaalsContact O-N 3.11Å; L121-G124 PolarHBondContact O-N 3.08Å; L121-G124 VanDerWaalsContact O-N 3.09Å; L122-G124 VanDerWaalsContact C-N 3.35Å
125R74.9Confident74.7Confident110 Ų11058 Ų5842%0.41531%0.312SS..  trans-85.6161.3174.4-58.5-176.5-175.9-138.55.9110.4D120 E188D120-R125 HydrophobicContact CB-CB 4.14Å; D120-R125 PolarHBondContact O-N 3.37Å; R125-E188 IonicContact CZ-OE1 2.72Å; R125-E188 IonicContact NH2-OE1 2.72Å; R125-E188 PolarHBondContact NH2-OE1 2.99Å
126S81.1Confident75.3Confident47 Ų4760.3 Ų60.333%0.32934%0.339SS..  trans-74.8153.1179.478.60000111.7S128 D129 G130S126-S128 PolarHBondContact O-N 2.89Å; S126-S128 PolarHBondContact OG-OG 2.72Å; S126-D129 WeakPolarHBondContact CB-OD2 3.4Å; S126-D129 PolarHBondContact N-OD2 2.91Å; S126-D129 WeakPolarHBondContact O-CB 3.45Å; S126-D129 PolarHBondContact O-N 3.49Å; S126-D129 VanDerWaalsContact O-N 3.11Å; S126-D129 PolarHBondContact OG-N 3.42Å; S126-D129 PolarHBondContact OG-OD1 3.43Å; S126-D129 PolarHBondContact OG-OD2 3.07Å; S126-G130 PolarHBondContact O-N 3.35Å
127L75.2Confident76Confident100 Ų10060.3 Ų60.352%0.52434%0.338SS..Hα-helixtrans-62.6-29.1175-68.5175.4000112.4L121 D129 G130 W131L121-L127 HydrophobicContact CB-CD2 4.26Å; L121-L127 HydrophobicContact CD1-CD2 4.34Å; L127-D129 VanDerWaalsContact C-N 3.33Å; L127-G130 PolarHBondContact O-N 3.37Å; L127-W131 WeakPolarHBondContact O-CB 3.15Å; L127-W131 PolarHBondContact O-N 3.13Å
128S77.6Confident76.5Confident83 Ų8361.1 Ų61.158%0.5834%0.34SS*.Hα-helixtrans-64.6-37.6174340000112.3S126 W131 A132S126-S128 PolarHBondContact O-N 2.89Å; S126-S128 PolarHBondContact OG-OG 2.72Å; S128-W131 PolarHBondContact O-N 3.46Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.05Å
129D76.6Confident77Confident86 Ų8668 Ų6846%0.4636%0.363SS..Hα-helixtrans-67.1-44.1178.4-58-37000110.4S126 L127 W131 A132 E133S126-D129 WeakPolarHBondContact CB-OD2 3.4Å; S126-D129 PolarHBondContact N-OD2 2.91Å; S126-D129 WeakPolarHBondContact O-CB 3.45Å; S126-D129 PolarHBondContact O-N 3.49Å; S126-D129 VanDerWaalsContact O-N 3.11Å; S126-D129 PolarHBondContact OG-N 3.42Å; S126-D129 PolarHBondContact OG-OD1 3.43Å; S126-D129 PolarHBondContact OG-OD2 3.07Å; L127-D129 VanDerWaalsContact C-N 3.33Å; D129-W131 VanDerWaalsContact C-N 3.32Å; D129-W131 PolarHBondContact O-N 2.89Å; D129-A132 PolarHBondContact O-N 3.46Å; D129-E133 WeakPolarHBondContact O-CB 3Å; D129-E133 PolarHBondContact O-N 3.11Å
130G75.1Confident77.7Confident0 Ų071 Ų710%038%0.377CS..Hα-helixtrans-66.1-33.2177.400000113.8D120 S126 L127 F134D120-G130 WeakPolarHBondContact OD2-CA 3.03Å; S126-G130 PolarHBondContact O-N 3.35Å; L127-G130 PolarHBondContact O-N 3.37Å; G130-F134 VanDerWaalsContact O-CB 3.28Å; G130-F134 WeakPolarHBondContact O-CB 3.43Å; G130-F134 PolarHBondContact O-N 3.44Å
131W77.2Confident78.1Confident135 Ų13571.1 Ų71.151%0.51138%0.377SS..Hα-helixtrans-68.7-41.1173-176-110000112.5V113 L127 S128 D129 F134 R135V113-W131 HydrophobicContact CG1-CZ3 4.18Å; V113-W131 HydrophobicContact CG2-CZ3 4.29Å; L127-W131 WeakPolarHBondContact O-CB 3.15Å; L127-W131 PolarHBondContact O-N 3.13Å; S128-W131 PolarHBondContact O-N 3.46Å; D129-W131 VanDerWaalsContact C-N 3.32Å; D129-W131 PolarHBondContact O-N 2.89Å; W131-F134 AromaticContact CE3-CD1 3.97Å; W131-F134 HydrophobicContact CE3-CD1 3.97Å; W131-F134 HydrophobicContact CH2-CD1 4.3Å; W131-F134 HydrophobicContact CH2-CE1 4.18Å; W131-F134 AromaticContact CZ3-CD1 3.79Å; W131-F134 HydrophobicContact CZ3-CD1 3.79Å; W131-F134 AromaticContact CZ3-CE1 3.94Å; W131-F134 HydrophobicContact CZ3-CE1 3.94Å; W131-F134 PolarHBondContact O-N 3.38Å; W131-R135 WeakPolarHBondContact O-CB 3.37Å; W131-R135 PolarHBondContact O-N 2.89Å
132A80.7Confident78.4Confident64 Ų6468.8 Ų68.853%0.52936%0.362SS..Hα-helixtrans-64-44.5176.300000111.4S128 D129 R135 G136S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.05Å; D129-A132 PolarHBondContact O-N 3.46Å; A132-R135 PolarHBondContact O-N 3.09Å; A132-G136 PolarHBondContact O-N 2.89Å
133E79.3Confident79.1Confident41 Ų4172.1 Ų72.119%0.19237%0.373CS..Hα-helixtrans-62.4-45.5176.5-165.1-163.8142.600111.5D129 R135 G136 K137 K184D129-E133 WeakPolarHBondContact O-CB 3Å; D129-E133 PolarHBondContact O-N 3.11Å; E133-R135 PolarHBondContact O-N 3.35Å; E133-G136 PolarHBondContact O-N 3.05Å; E133-K137 HydrophobicContact CG-CD 4.07Å; E133-K137 PolarHBondContact O-N 3.35Å; E133-K137 IonicContact OE1-NZ 2.87Å; E133-K137 PolarHBondContact OE1-NZ 2.83Å; E133-K184 VanDerWaalsContact CD-NZ 3.33Å; E133-K184 WeakPolarHBondContact OE1-CD 3.27Å; E133-K184 IonicContact OE1-NZ 2.75Å; E133-K184 PolarHBondContact OE1-NZ 3.28Å; E133-K184 IonicContact OE2-NZ 3.36Å; E133-K184 PolarHBondContact OE2-NZ 2.98Å
134F80.1Confident79.7Confident9 Ų973 Ų734%0.03938%0.379CS..Hα-helixtrans-56.2-49.3174.5169.1-103.6000111L112 V113 C116 G130 W131 G136 K137 F138L112-F134 HydrophobicContact CB-CD2 4.37Å; L112-F134 HydrophobicContact CB-CE2 3.8Å; V113-F134 HydrophobicContact CG2-CD1 4.38Å; V113-F134 HydrophobicContact CG2-CD2 4.44Å; V113-F134 HydrophobicContact CG2-CE1 3.84Å; V113-F134 HydrophobicContact CG2-CE2 3.91Å; V113-F134 HydrophobicContact CG2-CZ 3.56Å; C116-F134 HydrophobicContact CB-CB 4.21Å; G130-F134 VanDerWaalsContact O-CB 3.28Å; G130-F134 WeakPolarHBondContact O-CB 3.43Å; G130-F134 PolarHBondContact O-N 3.44Å; W131-F134 AromaticContact CE3-CD1 3.97Å; W131-F134 HydrophobicContact CE3-CD1 3.97Å; W131-F134 HydrophobicContact CH2-CD1 4.3Å; W131-F134 HydrophobicContact CH2-CE1 4.18Å; W131-F134 AromaticContact CZ3-CD1 3.79Å; W131-F134 HydrophobicContact CZ3-CD1 3.79Å; W131-F134 AromaticContact CZ3-CE1 3.94Å; W131-F134 HydrophobicContact CZ3-CE1 3.94Å; W131-F134 PolarHBondContact O-N 3.38Å; F134-G136 VanDerWaalsContact C-N 3.28Å; F134-G136 PolarHBondContact O-N 3.24Å; F134-K137 CarbonylContact O-C 3.26Å; F134-K137 PolarHBondContact O-N 3.04Å; F134-F138 HydrophobicContact CE1-CD2 4.1Å; F134-F138 AromaticContact CE2-CD2 3.85Å; F134-F138 HydrophobicContact CE2-CD2 3.85Å; F134-F138 HydrophobicContact CZ-CB 4.41Å; F134-F138 AromaticContact CZ-CD2 3.4Å; F134-F138 HydrophobicContact CZ-CD2 3.4Å; F134-F138 VanDerWaalsContact CZ-CD2 3.4Å; F134-F138 HydrophobicContact CZ-CE2 4.1Å; F134-F138 HydrophobicContact CZ-CG 4.24Å; F134-F138 WeakPolarHBondContact O-CA 3.47Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 PolarHBondContact O-N 3.29Å
135R81.4Confident80.2Confident191 Ų19170 Ų7072%0.72135%0.346SS*.Hα-helixtrans-61.6-36.7-179.2-165.5-178.3-174.5-177.42.5112.4W131 A132 E133W131-R135 WeakPolarHBondContact O-CB 3.37Å; W131-R135 PolarHBondContact O-N 2.89Å; A132-R135 PolarHBondContact O-N 3.09Å; E133-R135 PolarHBondContact O-N 3.35Å
136G82.5Confident80.5Confident62 Ų6271.1 Ų71.164%0.63935%0.35SS*.Hα-helixtrans-67.8-38176.300000113.3A132 E133 F134A132-G136 PolarHBondContact O-N 2.89Å; E133-G136 PolarHBondContact O-N 3.05Å; F134-G136 VanDerWaalsContact C-N 3.28Å; F134-G136 PolarHBondContact O-N 3.24Å
137K82.3Confident80.6Confident13 Ų1372.9 Ų72.96%0.05736%0.361CS..Hα-helixtrans-92.1-14.5-177.8-67175.1-179.2177.10113.8E133 F134 W139 E140 F141 L183 K184 D187E133-K137 HydrophobicContact CG-CD 4.07Å; E133-K137 PolarHBondContact O-N 3.35Å; E133-K137 IonicContact OE1-NZ 2.87Å; E133-K137 PolarHBondContact OE1-NZ 2.83Å; F134-K137 CarbonylContact O-C 3.26Å; F134-K137 PolarHBondContact O-N 3.04Å; K137-W139 PolarHBondContact O-N 3.29Å; K137-E140 PolarHBondContact O-N 2.86Å; K137-F141 WeakPolarHBondContact O-CB 3.23Å; K137-F141 PolarHBondContact O-N 3.16Å; K137-L183 HydrophobicContact CB-CD1 4.49Å; K137-L183 HydrophobicContact CB-CD2 4.43Å; K137-L183 HydrophobicContact CB-CG 4.39Å; K137-L183 HydrophobicContact CD-CD1 4.39Å; K137-L183 HydrophobicContact CD-CG 4.19Å; K137-L183 WeakPolarHBondContact CD-O 3.34Å; K137-L183 VanDerWaalsContact CE-O 3.27Å; K137-L183 WeakPolarHBondContact CE-O 3.25Å; K137-L183 HydrophobicContact CG-CD1 4.41Å; K137-L183 PolarHBondContact NZ-O 2.98Å; K137-K184 PolarHBondContact NZ-O 3.5Å; K137-D187 WeakPolarHBondContact CE-OD2 3.28Å; K137-D187 IonicContact NZ-OD2 3.81Å; K137-D187 PolarHBondContact NZ-OD2 3.34Å
138F82.1Confident80.9Confident37 Ų3770 Ų7016%0.16235%0.348CS..Hα-helixtrans-53.3-42.5-174.1174.2-101.7000112.1W109 F134 F141 Y142W109-F138 HydrophobicContact CD2-CE2 4.28Å; W109-F138 AromaticContact CE3-CE2 3.96Å; W109-F138 HydrophobicContact CE3-CE2 3.96Å; W109-F138 HydrophobicContact CH2-CD2 4.47Å; W109-F138 AromaticContact CH2-CE1 3.98Å; W109-F138 HydrophobicContact CH2-CE1 3.98Å; W109-F138 AromaticContact CH2-CE2 3.34Å; W109-F138 HydrophobicContact CH2-CE2 3.34Å; W109-F138 AromaticContact CH2-CZ 3.05Å; W109-F138 HydrophobicContact CH2-CZ 3.05Å; W109-F138 HydrophobicContact CZ2-CE1 4.44Å; W109-F138 AromaticContact CZ2-CE2 3.67Å; W109-F138 HydrophobicContact CZ2-CE2 3.67Å; W109-F138 AromaticContact CZ2-CZ 3.31Å; W109-F138 HydrophobicContact CZ2-CZ 3.31Å; W109-F138 HydrophobicContact CZ3-CD2 4.34Å; W109-F138 AromaticContact CZ3-CE2 3.47Å; W109-F138 HydrophobicContact CZ3-CE2 3.47Å; W109-F138 VanDerWaalsContact CZ3-CE2 3.47Å; W109-F138 AromaticContact CZ3-CZ 3.71Å; W109-F138 HydrophobicContact CZ3-CZ 3.71Å; F134-F138 HydrophobicContact CE1-CD2 4.1Å; F134-F138 AromaticContact CE2-CD2 3.85Å; F134-F138 HydrophobicContact CE2-CD2 3.85Å; F134-F138 HydrophobicContact CZ-CB 4.41Å; F134-F138 AromaticContact CZ-CD2 3.4Å; F134-F138 HydrophobicContact CZ-CD2 3.4Å; F134-F138 VanDerWaalsContact CZ-CD2 3.4Å; F134-F138 HydrophobicContact CZ-CE2 4.1Å; F134-F138 HydrophobicContact CZ-CG 4.24Å; F134-F138 WeakPolarHBondContact O-CA 3.47Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 PolarHBondContact O-N 3.29Å; F138-F141 PolarHBondContact O-N 3.11Å; F138-Y142 HydrophobicContact CE2-CD2 4.5Å; F138-Y142 AromaticContact CZ-CD2 3.88Å; F138-Y142 HydrophobicContact CZ-CD2 3.88Å; F138-Y142 HydrophobicContact CZ-CG 4.28Å; F138-Y142 VanDerWaalsContact O-CB 3.25Å; F138-Y142 WeakPolarHBondContact O-CB 3.24Å; F138-Y142 PolarHBondContact O-N 2.88Å
139W81.9Confident81.1Confident153 Ų15368.3 Ų68.358%0.5833%0.329SS*.Hα-helixtrans-76.3-32.5-173.1-134-162.4000114.3K137 Y142 K143K137-W139 PolarHBondContact O-N 3.29Å; W139-Y142 AromaticContact CE3-CD1 3.7Å; W139-Y142 HydrophobicContact CE3-CD1 3.7Å; W139-Y142 HydrophobicContact CE3-CE1 4.49Å; W139-Y142 AromaticContact CE3-CG 3.83Å; W139-Y142 HydrophobicContact CE3-CG 3.83Å; W139-Y142 AromaticContact CH2-CD1 3.75Å; W139-Y142 HydrophobicContact CH2-CD1 3.75Å; W139-Y142 AromaticContact CH2-CE1 3.75Å; W139-Y142 HydrophobicContact CH2-CE1 3.75Å; W139-Y142 AromaticContact CZ3-CD1 3.05Å; W139-Y142 HydrophobicContact CZ3-CD1 3.05Å; W139-Y142 HydrophobicContact CZ3-CD2 4.19Å; W139-Y142 AromaticContact CZ3-CE1 3.45Å; W139-Y142 HydrophobicContact CZ3-CE1 3.45Å; W139-Y142 VanDerWaalsContact CZ3-CE1 3.45Å; W139-Y142 AromaticContact CZ3-CG 3.45Å; W139-Y142 HydrophobicContact CZ3-CG 3.45Å; W139-Y142 VanDerWaalsContact CZ3-CG 3.45Å; W139-K143 WeakPolarHBondContact O-CE 3.47Å; W139-K143 WeakPolarHBondContact O-CG 2.91Å; W139-K143 PolarHBondContact O-N 3.46Å
140E84.2Confident81.2Confident65 Ų6567.4 Ų67.430%0.30433%0.327SS..Hα-helixtrans-69.3-43.8171-174.8174.3169.500111.2K137 M144 R186K137-E140 PolarHBondContact O-N 2.86Å; E140-M144 PolarHBondContact O-N 3.43Å; E140-M144 VanDerWaalsContact O-N 3.11Å; E140-R186 IonicContact OE1-CZ 3.5Å; E140-R186 IonicContact OE1-NH1 3.41Å; E140-R186 PolarHBondContact OE1-NH1 2.58Å; E140-R186 IonicContact OE2-CZ 3.44Å; E140-R186 IonicContact OE2-NH1 3.17Å; E140-R186 PolarHBondContact OE2-NH1 3.2Å; E140-R186 IonicContact OE2-NH2 2.78Å; E140-R186 PolarHBondContact OE2-NH2 3.23Å
141F82.6Confident81.6Confident3 Ų369.9 Ų69.91%0.01335%0.348CS..Hα-helixtrans-58.3-52.8174.7178.9-86.6000111.9L108 L112 K137 F138 K143 M144 D145 W176 L180 L183L108-F141 HydrophobicContact CD1-CE1 3.61Å; L108-F141 HydrophobicContact CD1-CZ 3.47Å; L108-F141 VanDerWaalsContact CD1-CZ 3.47Å; L108-F141 HydrophobicContact CD2-CE1 3.96Å; L108-F141 HydrophobicContact CG-CE1 3.73Å; L108-F141 HydrophobicContact CG-CZ 4.1Å; L112-F141 HydrophobicContact CD1-CD1 3.33Å; L112-F141 HydrophobicContact CD1-CD2 4.42Å; L112-F141 HydrophobicContact CD1-CE1 2.88Å; L112-F141 HydrophobicContact CD1-CE2 4.03Å; L112-F141 HydrophobicContact CD1-CG 4.07Å; L112-F141 HydrophobicContact CD1-CZ 3.19Å; L112-F141 HydrophobicContact CD2-CD1 3.85Å; L112-F141 HydrophobicContact CD2-CD2 3.53Å; L112-F141 HydrophobicContact CD2-CE1 3.91Å; L112-F141 HydrophobicContact CD2-CE2 3.52Å; L112-F141 HydrophobicContact CD2-CG 3.64Å; L112-F141 HydrophobicContact CD2-CZ 3.62Å; L112-F141 HydrophobicContact CG-CD1 4.13Å; L112-F141 HydrophobicContact CG-CD2 4.41Å; L112-F141 HydrophobicContact CG-CE1 3.78Å; L112-F141 HydrophobicContact CG-CE2 4.01Å; L112-F141 HydrophobicContact CG-CG 4.41Å; L112-F141 HydrophobicContact CG-CZ 3.58Å; K137-F141 WeakPolarHBondContact O-CB 3.23Å; K137-F141 PolarHBondContact O-N 3.16Å; F138-F141 PolarHBondContact O-N 3.11Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.89Å; F141-M144 PolarHBondContact O-N 2.73Å; F141-M144 VanDerWaalsContact O-N 3.16Å; F141-D145 HydrophobicContact CE1-CB 4.02Å; F141-D145 WeakPolarHBondContact O-CB 3.24Å; F141-D145 PolarHBondContact O-N 2.86Å; F141-W176 HydrophobicContact CD2-CH2 4.33Å; F141-W176 HydrophobicContact CD2-CZ2 4.04Å; F141-W176 HydrophobicContact CE1-CZ2 4Å; F141-W176 AromaticContact CE2-CE2 3.75Å; F141-W176 AromaticContact CE2-CH2 3.86Å; F141-W176 HydrophobicContact CE2-CH2 3.86Å; F141-W176 AromaticContact CE2-CZ2 3.15Å; F141-W176 HydrophobicContact CE2-CZ2 3.15Å; F141-W176 AromaticContact CZ-CE2 3.88Å; F141-W176 HydrophobicContact CZ-CH2 4.14Å; F141-W176 AromaticContact CZ-CZ2 3.21Å; F141-W176 HydrophobicContact CZ-CZ2 3.21Å; F141-L180 HydrophobicContact CD2-CD2 3.86Å; F141-L180 HydrophobicContact CE2-CD2 3.35Å; F141-L180 HydrophobicContact CE2-CG 4.12Å; F141-L180 HydrophobicContact CZ-CD2 4.3Å; F141-L183 HydrophobicContact CB-CD2 3.91Å; F141-L183 HydrophobicContact CD2-CD2 4.04Å; F141-L183 HydrophobicContact CG-CD2 4.49Å
142Y81.5Confident81.7Confident60 Ų6063.6 Ų63.624%0.23533%0.325CS..Hα-helixtrans-60-43.1-176.1-176.8-93.6000111.6F138 W139 D145 W146F138-Y142 HydrophobicContact CE2-CD2 4.5Å; F138-Y142 AromaticContact CZ-CD2 3.88Å; F138-Y142 HydrophobicContact CZ-CD2 3.88Å; F138-Y142 HydrophobicContact CZ-CG 4.28Å; F138-Y142 VanDerWaalsContact O-CB 3.25Å; F138-Y142 WeakPolarHBondContact O-CB 3.24Å; F138-Y142 PolarHBondContact O-N 2.88Å; W139-Y142 AromaticContact CE3-CD1 3.7Å; W139-Y142 HydrophobicContact CE3-CD1 3.7Å; W139-Y142 HydrophobicContact CE3-CE1 4.49Å; W139-Y142 AromaticContact CE3-CG 3.83Å; W139-Y142 HydrophobicContact CE3-CG 3.83Å; W139-Y142 AromaticContact CH2-CD1 3.75Å; W139-Y142 HydrophobicContact CH2-CD1 3.75Å; W139-Y142 AromaticContact CH2-CE1 3.75Å; W139-Y142 HydrophobicContact CH2-CE1 3.75Å; W139-Y142 AromaticContact CZ3-CD1 3.05Å; W139-Y142 HydrophobicContact CZ3-CD1 3.05Å; W139-Y142 HydrophobicContact CZ3-CD2 4.19Å; W139-Y142 AromaticContact CZ3-CE1 3.45Å; W139-Y142 HydrophobicContact CZ3-CE1 3.45Å; W139-Y142 VanDerWaalsContact CZ3-CE1 3.45Å; W139-Y142 AromaticContact CZ3-CG 3.45Å; W139-Y142 HydrophobicContact CZ3-CG 3.45Å; W139-Y142 VanDerWaalsContact CZ3-CG 3.45Å; Y142-D145 WeakPolarHBondContact O-CB 3.4Å; Y142-D145 PolarHBondContact O-N 3.32Å; Y142-W146 AromaticContact CD1-CD1 3.62Å; Y142-W146 AromaticContact CD2-CD1 3.98Å; Y142-W146 AromaticContact CD2-NE1 3.96Å; Y142-W146 AromaticContact CE1-CD1 3.36Å; Y142-W146 HydrophobicContact CE1-CG 4.35Å; Y142-W146 AromaticContact CE1-NE1 3.37Å; Y142-W146 AromaticContact CE2-CD1 3.74Å; Y142-W146 AromaticContact CE2-NE1 3.26Å; Y142-W146 VanDerWaalsContact CE2-NE1 3.26Å; Y142-W146 AromaticContact CG-CD1 3.96Å; Y142-W146 AromaticContact CZ-CD1 3.44Å; Y142-W146 VanDerWaalsContact CZ-CD1 3.44Å; Y142-W146 AromaticContact CZ-CE2 3.95Å; Y142-W146 AromaticContact CZ-NE1 2.94Å; Y142-W146 VanDerWaalsContact O-CD1 3.27Å; Y142-W146 PolarHBondContact O-N 3.36Å; Y142-W146 PolarHBondContact OH-NE1 3.43Å; Y142-W146 VanDerWaalsContact OH-NE1 3.08Å
143K83Confident81.6Confident130 Ų13063.6 Ų63.657%0.56531%0.314SS*.Hα-helixtrans-61.1-47.5175.7-75.5-177.4-67.3179.30111.8W139 F141 D145 W146 C147W139-K143 WeakPolarHBondContact O-CE 3.47Å; W139-K143 WeakPolarHBondContact O-CG 2.91Å; W139-K143 PolarHBondContact O-N 3.46Å; F141-K143 VanDerWaalsContact C-N 3.32Å; F141-K143 PolarHBondContact O-N 2.89Å; K143-D145 VanDerWaalsContact C-N 3.28Å; K143-D145 PolarHBondContact O-N 2.99Å; K143-W146 PolarHBondContact O-N 3.4Å; K143-C147 PolarHBondContact O-N 2.99Å; K143-C147 VanDerWaalsContact O-N 3.09Å; K143-C147 PolarHBondContact O-SG 3.5Å
144M84Confident81.5Confident74 Ų7463.6 Ų63.637%0.36532%0.321SS..Hα-helixtrans-63.4-36.6178.4-79.3-57.4-62.100112.3E140 F141 C147 V148 W176 Y179E140-M144 PolarHBondContact O-N 3.43Å; E140-M144 VanDerWaalsContact O-N 3.11Å; F141-M144 PolarHBondContact O-N 2.73Å; F141-M144 VanDerWaalsContact O-N 3.16Å; M144-C147 PolarHBondContact O-N 3.26Å; M144-V148 HydrophobicContact CE-CG2 3.97Å; M144-V148 WeakPolarHBondContact O-CB 3.39Å; M144-V148 VanDerWaalsContact O-CG2 3.28Å; M144-V148 WeakPolarHBondContact O-CG2 3.17Å; M144-V148 PolarHBondContact O-N 2.97Å; M144-W176 HydrophobicContact CB-CH2 4.09Å; M144-W176 HydrophobicContact CB-CZ3 4.1Å; M144-Y179 HydrophobicContact CB-CE1 4.12Å; M144-Y179 HydrophobicContact CG-CE1 4.28Å; M144-Y179 WeakPolarHBondContact CG-OH 3.49Å
145D81.9Confident81.5Confident8 Ų866.6 Ų66.64%0.04334%0.337CS..Hα-helixtrans-63.1-48.8178.3-170.184.7000111.5L108 F141 Y142 K143 C147 V148 W149 W176L108-D145 WeakPolarHBondContact CD1-OD1 3.45Å; L108-D145 HydrophobicContact CD2-CB 4.06Å; L108-D145 WeakPolarHBondContact CD2-OD1 3.2Å; L108-D145 WeakPolarHBondContact CD2-OD2 3.35Å; F141-D145 HydrophobicContact CE1-CB 4.02Å; F141-D145 WeakPolarHBondContact O-CB 3.24Å; F141-D145 PolarHBondContact O-N 2.86Å; Y142-D145 WeakPolarHBondContact O-CB 3.4Å; Y142-D145 PolarHBondContact O-N 3.32Å; K143-D145 VanDerWaalsContact C-N 3.28Å; K143-D145 PolarHBondContact O-N 2.99Å; D145-C147 PolarHBondContact O-N 3.18Å; D145-V148 PolarHBondContact O-N 2.86Å; D145-W149 VanDerWaalsContact O-CD1 3.28Å; D145-W149 PolarHBondContact O-N 3.02Å; D145-W149 PolarHBondContact OD1-NE1 3.18Å; D145-W176 VanDerWaalsContact CA-CH2 3.42Å; D145-W176 HydrophobicContact CB-CH2 3.74Å; D145-W176 HydrophobicContact CB-CZ2 3.84Å; D145-W176 WeakPolarHBondContact OD1-CZ2 3.28Å
146W80.3Confident81.3Confident133 Ų13357.9 Ų57.950%0.50431%0.305SS..Hα-helixtrans-64-21.2174.9-86.893.2000114Y142 K143 P150Y142-W146 AromaticContact CD1-CD1 3.62Å; Y142-W146 AromaticContact CD2-CD1 3.98Å; Y142-W146 AromaticContact CD2-NE1 3.96Å; Y142-W146 AromaticContact CE1-CD1 3.36Å; Y142-W146 HydrophobicContact CE1-CG 4.35Å; Y142-W146 AromaticContact CE1-NE1 3.37Å; Y142-W146 AromaticContact CE2-CD1 3.74Å; Y142-W146 AromaticContact CE2-NE1 3.26Å; Y142-W146 VanDerWaalsContact CE2-NE1 3.26Å; Y142-W146 AromaticContact CG-CD1 3.96Å; Y142-W146 AromaticContact CZ-CD1 3.44Å; Y142-W146 VanDerWaalsContact CZ-CD1 3.44Å; Y142-W146 AromaticContact CZ-CE2 3.95Å; Y142-W146 AromaticContact CZ-NE1 2.94Å; Y142-W146 VanDerWaalsContact O-CD1 3.27Å; Y142-W146 PolarHBondContact O-N 3.36Å; Y142-W146 PolarHBondContact OH-NE1 3.43Å; Y142-W146 VanDerWaalsContact OH-NE1 3.08Å; K143-W146 PolarHBondContact O-N 3.4Å; W146-P150 HydrophobicContact CE3-CG 4.46Å; W146-P150 WeakPolarHBondContact O-CD 3.4Å; W146-P150 WeakPolarHBondContact O-CG 3.17Å
147C82.8Confident81Confident84 Ų8460.9 Ų60.957%0.56830%0.3SS*.Hα-helixtrans-85.3-45.6173.4-68.30000111.8K143 M144 D145 A151K143-C147 PolarHBondContact O-N 2.99Å; K143-C147 VanDerWaalsContact O-N 3.09Å; K143-C147 PolarHBondContact O-SG 3.5Å; M144-C147 PolarHBondContact O-N 3.26Å; D145-C147 PolarHBondContact O-N 3.18Å; C147-A151 WeakPolarHBondContact O-CB 3.23Å
148V82.9Confident80.6Confident39 Ų3969.7 Ų69.724%0.23633%0.334CS..Hα-helixtrans-74.8-48.9-171.5171.90000111.3M144 D145 A152 V172 W176M144-V148 HydrophobicContact CE-CG2 3.97Å; M144-V148 WeakPolarHBondContact O-CB 3.39Å; M144-V148 VanDerWaalsContact O-CG2 3.28Å; M144-V148 WeakPolarHBondContact O-CG2 3.17Å; M144-V148 PolarHBondContact O-N 2.97Å; D145-V148 PolarHBondContact O-N 2.86Å; V148-A152 WeakPolarHBondContact O-CB 3.44Å; V148-A152 PolarHBondContact O-N 2.82Å; V148-V172 HydrophobicContact CG1-CG1 4.07Å; V148-W176 HydrophobicContact CB-CE3 4.4Å; V148-W176 HydrophobicContact CB-CZ3 4.19Å; V148-W176 HydrophobicContact CG1-CE3 4.28Å; V148-W176 HydrophobicContact CG2-CE3 4.38Å; V148-W176 HydrophobicContact CG2-CZ3 4.04Å
149W81Confident80.3Confident48 Ų4876.1 Ų76.118%0.18236%0.363CS..Hα-helixtrans-73.3-42.3-171.2-65.5105.5000114.4D145 A151 A152 Q153 I169 V172 W176D145-W149 VanDerWaalsContact O-CD1 3.28Å; D145-W149 PolarHBondContact O-N 3.02Å; D145-W149 PolarHBondContact OD1-NE1 3.18Å; W149-A151 VanDerWaalsContact C-N 3.32Å; W149-A151 PolarHBondContact O-N 3.25Å; W149-A152 PolarHBondContact O-N 3.47Å; W149-Q153 WeakPolarHBondContact O-CB 3.29Å; W149-Q153 WeakPolarHBondContact O-CG 3.34Å; W149-Q153 PolarHBondContact O-N 2.82Å; W149-I169 HydrophobicContact CE3-CD1 4.36Å; W149-I169 HydrophobicContact CZ3-CD1 3.9Å; W149-I169 HydrophobicContact CZ3-CG1 4.45Å; W149-V172 HydrophobicContact CZ3-CG1 4.49Å; W149-W176 HydrophobicContact CZ2-CB 4.3Å; W149-W176 AromaticContact CZ2-CD1 3.79Å; W149-W176 HydrophobicContact CZ2-CD2 4.3Å; W149-W176 AromaticContact CZ2-CG 3.87Å; W149-W176 HydrophobicContact CZ2-CG 3.87Å; W149-W176 AromaticContact NE1-CE2 3.8Å; W149-W176 AromaticContact NE1-CZ2 3.91Å
150P78.8Confident80.1Confident66 Ų6671 Ų7143%0.42935%0.346SS..Hα-helixtrans-60.4-42.6174.9-28.840.4000112.2W146 Q153 A154W146-P150 HydrophobicContact CE3-CG 4.46Å; W146-P150 WeakPolarHBondContact O-CD 3.4Å; W146-P150 WeakPolarHBondContact O-CG 3.17Å; P150-Q153 PolarHBondContact O-N 3.44Å; P150-A154 VanDerWaalsContact O-CB 3.31Å; P150-A154 WeakPolarHBondContact O-CB 3.26Å; P150-A154 PolarHBondContact O-N 3.28Å
151A82.3Confident79.7Confident52 Ų5270.8 Ų70.843%0.4335%0.352SS..Hα-helixtrans-64.7-44.9175.700000111.8C147 W149 Q153 A154 I155C147-A151 WeakPolarHBondContact O-CB 3.23Å; W149-A151 VanDerWaalsContact C-N 3.32Å; W149-A151 PolarHBondContact O-N 3.25Å; A151-Q153 PolarHBondContact O-N 3.05Å; A151-A154 PolarHBondContact O-N 3.3Å; A151-I155 WeakPolarHBondContact O-CG1 3.31Å; A151-I155 PolarHBondContact O-N 3.46Å
152A80.4Confident79.2Confident4 Ų474.6 Ų74.63%0.03338%0.377CS..Hα-helixtrans-62.4-45.3177.900000111.6V148 W149 I155 N156 Y168 V172V148-A152 WeakPolarHBondContact O-CB 3.44Å; V148-A152 PolarHBondContact O-N 2.82Å; W149-A152 PolarHBondContact O-N 3.47Å; A152-I155 PolarHBondContact O-N 2.92Å; A152-N156 VanDerWaalsContact O-CB 3.24Å; A152-N156 WeakPolarHBondContact O-CB 3.31Å; A152-N156 PolarHBondContact O-N 3.42Å; A152-Y168 HydrophobicContact CB-CE1 4.48Å; A152-Y168 WeakPolarHBondContact O-CE1 3.25Å; A152-V172 HydrophobicContact CB-CG1 3.89Å; A152-V172 HydrophobicContact CB-CG2 4.33Å
153Q77.9Confident78.9Confident63 Ų6380.3 Ų80.329%0.29440%0.403SS..Hα-helixtrans-66.8-37.3178.1-66.7-66.510.600111.9W149 P150 A151 N156 F157W149-Q153 WeakPolarHBondContact O-CB 3.29Å; W149-Q153 WeakPolarHBondContact O-CG 3.34Å; W149-Q153 PolarHBondContact O-N 2.82Å; P150-Q153 PolarHBondContact O-N 3.44Å; A151-Q153 PolarHBondContact O-N 3.05Å; Q153-N156 PolarHBondContact O-N 2.83Å; Q153-N156 PolarHBondContact OE1-ND2 3.11Å; Q153-F157 HydrophobicContact CB-CD2 4.39Å; Q153-F157 VanDerWaalsContact O-CD2 3.28Å; Q153-F157 WeakPolarHBondContact O-CD2 3.48Å; Q153-F157 PolarHBondContact O-N 3.4Å; Q153-F157 VanDerWaalsContact OE1-CE2 3.28Å
154A76.7Confident78.5Confident42 Ų4280.2 Ų80.235%0.34740%0.403SS..Hα-helixtrans-58.3-50.2173.200000110.9P150 A151 N156 F157 Y158P150-A154 VanDerWaalsContact O-CB 3.31Å; P150-A154 WeakPolarHBondContact O-CB 3.26Å; P150-A154 PolarHBondContact O-N 3.28Å; A151-A154 PolarHBondContact O-N 3.3Å; A154-N156 VanDerWaalsContact C-N 3.31Å; A154-N156 PolarHBondContact O-N 3.41Å; A154-F157 PolarHBondContact O-N 2.95Å; A154-Y158 VanDerWaalsContact O-CB 3.26Å; A154-Y158 WeakPolarHBondContact O-CB 3.12Å; A154-Y158 VanDerWaalsContact O-CD2 3.31Å; A154-Y158 WeakPolarHBondContact O-CD2 3.16Å; A154-Y158 PolarHBondContact O-N 3.3Å
155I81.3Confident78.1Confident71 Ų7180.1 Ų80.136%0.36440%0.399SS..Iπ-helixtrans-60.5-43176.2-66.1166.7000111.2A151 A152 F157 F159 L160 Y168A151-I155 WeakPolarHBondContact O-CG1 3.31Å; A151-I155 PolarHBondContact O-N 3.46Å; A152-I155 PolarHBondContact O-N 2.92Å; I155-F157 PolarHBondContact O-N 3.25Å; I155-F159 WeakPolarHBondContact O-CB 3.32Å; I155-F159 PolarHBondContact O-N 3.48Å; I155-L160 HydrophobicContact CG2-CD1 4.47Å; I155-L160 PolarHBondContact O-N 3.11Å; I155-Y168 HydrophobicContact CB-CE1 4.29Å; I155-Y168 WeakPolarHBondContact CB-OH 3.38Å; I155-Y168 WeakPolarHBondContact CD1-OH 2.96Å; I155-Y168 HydrophobicContact CG2-CE1 4.12Å; I155-Y168 HydrophobicContact CG2-CE2 4Å
156N76.3Confident77.5Confident9 Ų984.2 Ų84.25%0.04842%0.424CS..Iπ-helixtrans-62.2-41.8-176.9-163.413.4000113.2A152 Q153 A154 R165 Y168A152-N156 VanDerWaalsContact O-CB 3.24Å; A152-N156 WeakPolarHBondContact O-CB 3.31Å; A152-N156 PolarHBondContact O-N 3.42Å; Q153-N156 PolarHBondContact O-N 2.83Å; Q153-N156 PolarHBondContact OE1-ND2 3.11Å; A154-N156 VanDerWaalsContact C-N 3.31Å; A154-N156 PolarHBondContact O-N 3.41Å; N156-R165 WeakPolarHBondContact O-CD 3.33Å; N156-R165 WeakPolarHBondContact O-CG 3.48Å; N156-R165 PolarHBondContact O-NE 3.19Å; N156-R165 WeakPolarHBondContact OD1-CA 3.28Å; N156-R165 WeakPolarHBondContact OD1-CB 3.09Å; N156-R165 WeakPolarHBondContact OD1-CG 3.2Å; N156-R165 PolarHBondContact OD1-O 2.93Å; N156-Y168 HydrophobicContact CB-CD1 4.02Å; N156-Y168 HydrophobicContact CB-CE1 4.02Å
157F76.2Confident77.3Confident124 Ų12482.7 Ų82.754%0.54443%0.429SS..Iπ-helixtrans-91.1-35.6-177.2-72.8-67.4000113.9Q153 A154 I155Q153-F157 HydrophobicContact CB-CD2 4.39Å; Q153-F157 VanDerWaalsContact O-CD2 3.28Å; Q153-F157 WeakPolarHBondContact O-CD2 3.48Å; Q153-F157 PolarHBondContact O-N 3.4Å; Q153-F157 VanDerWaalsContact OE1-CE2 3.28Å; A154-F157 PolarHBondContact O-N 2.95Å; I155-F157 PolarHBondContact O-N 3.25Å
158Y74.4Confident77.1Confident198 Ų19881.3 Ų81.378%0.77641%0.412SS*.Iπ-helixtrans-84.5-41-176.6-76.4-96.4000113.1A154A154-Y158 VanDerWaalsContact O-CB 3.26Å; A154-Y158 WeakPolarHBondContact O-CB 3.12Å; A154-Y158 VanDerWaalsContact O-CD2 3.31Å; A154-Y158 WeakPolarHBondContact O-CD2 3.16Å; A154-Y158 PolarHBondContact O-N 3.3Å
159F76.3Confident76.8Confident172 Ų17281 Ų8175%0.75441%0.409SS*.Iπ-helixtrans-103.6-25-170.5-69.5-88000113.6I155I155-F159 WeakPolarHBondContact O-CB 3.32Å; I155-F159 PolarHBondContact O-N 3.48Å
160L76.4Confident76.7Confident45 Ų4582 Ų8224%0.23642%0.418CS..SBendtrans-101.8129.1-172.5-62.4179.1000113.5I155 R165 Y168I155-L160 HydrophobicContact CG2-CD1 4.47Å; I155-L160 PolarHBondContact O-N 3.11Å; L160-R165 HydrophobicContact CB-CG 4.21Å; L160-R165 PolarHBondContact O-NE 3.22Å; L160-R165 PolarHBondContact O-NH2 3.3Å; L160-Y168 HydrophobicContact CD1-CD1 3.58Å; L160-Y168 HydrophobicContact CD1-CD2 3.81Å; L160-Y168 HydrophobicContact CD1-CE1 4.34Å; L160-Y168 HydrophobicContact CD1-CG 3.26Å
161S76.4Confident76.8Confident62 Ų6286.1 Ų86.143%0.43443%0.429SS..  trans-58.6143.2169.1-172.80000110.2K163 F164 R165S161-K163 PolarHBondContact O-N 2.6Å; S161-F164 PolarHBondContact O-N 3.24Å; S161-R165 PolarHBondContact O-N 3.38Å
162P72.8Confident76.8Confident83 Ų8384.9 Ų84.954%0.53942%0.416SS..Hα-helixtrans-47.4-30.3-177.6-30.234.1000115.4F164P162-F164 PolarHBondContact O-N 2.77Å
163K74.7Confident76.8Confident180 Ų18086.2 Ų86.278%0.78342%0.424SS*.Hα-helixtrans-66.6-32.6179-60.3179-176.3174.70113.7S161S161-K163 PolarHBondContact O-N 2.6Å
164F75.1Confident76.8Confident127 Ų12785.5 Ų85.556%0.55742%0.422SS*.Hα-helixtrans-97.3-13.6-176.1-62.3-66.9000113.6S161 P162 V166 V167 Y168S161-F164 PolarHBondContact O-N 3.24Å; P162-F164 PolarHBondContact O-N 2.77Å; F164-V166 VanDerWaalsContact C-N 3.29Å; F164-V166 PolarHBondContact O-N 3.47Å; F164-V167 PolarHBondContact O-N 3.43Å; F164-V167 VanDerWaalsContact O-N 3.07Å; F164-Y168 PolarHBondContact O-N 3.34Å
165R74.8Confident77.1Confident73 Ų7385.5 Ų85.528%0.27543%0.426SS..Hα-helixtrans-54.2-43.4-176.7-66.5-170-172.5159.4-2.7113.4N156 L160 S161 I169N156-R165 WeakPolarHBondContact O-CD 3.33Å; N156-R165 WeakPolarHBondContact O-CG 3.48Å; N156-R165 PolarHBondContact O-NE 3.19Å; N156-R165 WeakPolarHBondContact OD1-CA 3.28Å; N156-R165 WeakPolarHBondContact OD1-CB 3.09Å; N156-R165 WeakPolarHBondContact OD1-CG 3.2Å; N156-R165 PolarHBondContact OD1-O 2.93Å; L160-R165 HydrophobicContact CB-CG 4.21Å; L160-R165 PolarHBondContact O-NE 3.22Å; L160-R165 PolarHBondContact O-NH2 3.3Å; S161-R165 PolarHBondContact O-N 3.38Å; R165-I169 WeakPolarHBondContact O-CB 3.2Å; R165-I169 WeakPolarHBondContact O-CG2 3.1Å; R165-I169 PolarHBondContact O-N 3.15Å
166V68.8Low77.2Confident94 Ų9483 Ų8357%0.5741%0.412SS*.Hα-helixtrans-67.3-39.7179.8-179.50000111.4F164 I169 N170F164-V166 VanDerWaalsContact C-N 3.29Å; F164-V166 PolarHBondContact O-N 3.47Å; V166-I169 WeakPolarHBondContact O-CG2 3.04Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.48Å; V166-N170 WeakPolarHBondContact O-CB 3.22Å; V166-N170 VanDerWaalsContact O-CG 3.32Å; V166-N170 PolarHBondContact O-N 2.87Å; V166-N170 VanDerWaalsContact O-N 3.14Å; V166-N170 PolarHBondContact O-ND2 3.32Å
167V76.3Confident77.4Confident101 Ų10183.1 Ų83.161%0.61241%0.413SS*.Hα-helixtrans-69-45.4179.8179.30000110.5F164 N170 F171F164-V167 PolarHBondContact O-N 3.43Å; F164-V167 VanDerWaalsContact O-N 3.07Å; V167-N170 PolarHBondContact O-N 3.13Å; V167-F171 PolarHBondContact O-N 3.4Å
168Y79.4Confident77.5Confident54 Ų5477.3 Ų77.321%0.21239%0.387CS..Hα-helixtrans-61.4-48.8178170.2-101000112.3A152 I155 N156 L160 F164 N170 F171 V172A152-Y168 HydrophobicContact CB-CE1 4.48Å; A152-Y168 WeakPolarHBondContact O-CE1 3.25Å; I155-Y168 HydrophobicContact CB-CE1 4.29Å; I155-Y168 WeakPolarHBondContact CB-OH 3.38Å; I155-Y168 WeakPolarHBondContact CD1-OH 2.96Å; I155-Y168 HydrophobicContact CG2-CE1 4.12Å; I155-Y168 HydrophobicContact CG2-CE2 4Å; N156-Y168 HydrophobicContact CB-CD1 4.02Å; N156-Y168 HydrophobicContact CB-CE1 4.02Å; L160-Y168 HydrophobicContact CD1-CD1 3.58Å; L160-Y168 HydrophobicContact CD1-CD2 3.81Å; L160-Y168 HydrophobicContact CD1-CE1 4.34Å; L160-Y168 HydrophobicContact CD1-CG 3.26Å; F164-Y168 PolarHBondContact O-N 3.34Å; Y168-N170 VanDerWaalsContact C-N 3.28Å; Y168-N170 PolarHBondContact O-N 3.35Å; Y168-F171 WeakPolarHBondContact O-CB 3.49Å; Y168-F171 PolarHBondContact O-N 2.98Å; Y168-V172 HydrophobicContact CD1-CG2 4.44Å; Y168-V172 HydrophobicContact CD2-CG2 4.41Å; Y168-V172 HydrophobicContact CE1-CG2 3.92Å; Y168-V172 HydrophobicContact CE2-CG2 3.9Å; Y168-V172 PolarHBondContact O-N 3.07Å
169I76.8Confident77.9Confident32 Ų3270 Ų7016%0.16436%0.359CS..Hα-helixtrans-64.2-37.2-178.7-158.866.5000111.1W149 R165 V166 F171 V172 T173W149-I169 HydrophobicContact CE3-CD1 4.36Å; W149-I169 HydrophobicContact CZ3-CD1 3.9Å; W149-I169 HydrophobicContact CZ3-CG1 4.45Å; R165-I169 WeakPolarHBondContact O-CB 3.2Å; R165-I169 WeakPolarHBondContact O-CG2 3.1Å; R165-I169 PolarHBondContact O-N 3.15Å; V166-I169 WeakPolarHBondContact O-CG2 3.04Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.7Å; I169-V172 PolarHBondContact O-N 2.99Å; I169-T173 WeakPolarHBondContact O-CB 3.02Å; I169-T173 PolarHBondContact O-N 3.39Å; I169-T173 PolarHBondContact O-OG1 2.95Å
170N78Confident78Confident70 Ų7062.6 Ų62.637%0.37433%0.327SS..Hα-helixtrans-63.1-36.9173.9-78.6-50.1000112.3M37 V166 V167 Y168 T173 L174M37-N170 HydrophobicContact CE-CB 4.33Å; M37-N170 WeakPolarHBondContact CE-O 3.39Å; M37-N170 HydrophobicContact SD-CB 4.45Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.48Å; V166-N170 WeakPolarHBondContact O-CB 3.22Å; V166-N170 VanDerWaalsContact O-CG 3.32Å; V166-N170 PolarHBondContact O-N 2.87Å; V166-N170 VanDerWaalsContact O-N 3.14Å; V166-N170 PolarHBondContact O-ND2 3.32Å; V167-N170 PolarHBondContact O-N 3.13Å; Y168-N170 VanDerWaalsContact C-N 3.28Å; Y168-N170 PolarHBondContact O-N 3.35Å; N170-T173 PolarHBondContact O-N 3.38Å; N170-L174 PolarHBondContact O-N 3.35Å
171F82.1Confident78.1Confident153 Ų15360.6 Ų60.667%0.67132%0.317SS*.Hα-helixtrans-65.6-44.3175.3-175.6-97.8000112.3V167 Y168 I169 T173 L174 G175V167-F171 PolarHBondContact O-N 3.4Å; Y168-F171 WeakPolarHBondContact O-CB 3.49Å; Y168-F171 PolarHBondContact O-N 2.98Å; I169-F171 VanDerWaalsContact C-N 3.31Å; I169-F171 PolarHBondContact O-N 2.7Å; F171-T173 VanDerWaalsContact C-N 3.34Å; F171-L174 PolarHBondContact O-N 2.93Å; F171-G175 PolarHBondContact O-N 3.4Å
172V82.5Confident78.3Confident26 Ų2661.8 Ų61.816%0.15831%0.312CS..Hα-helixtrans-61.7-44.8174.9176.10000110.7V148 W149 A152 Y168 I169 L174 G175 W176V148-V172 HydrophobicContact CG1-CG1 4.07Å; W149-V172 HydrophobicContact CZ3-CG1 4.49Å; A152-V172 HydrophobicContact CB-CG1 3.89Å; A152-V172 HydrophobicContact CB-CG2 4.33Å; Y168-V172 HydrophobicContact CD1-CG2 4.44Å; Y168-V172 HydrophobicContact CD2-CG2 4.41Å; Y168-V172 HydrophobicContact CE1-CG2 3.92Å; Y168-V172 HydrophobicContact CE2-CG2 3.9Å; Y168-V172 PolarHBondContact O-N 3.07Å; I169-V172 PolarHBondContact O-N 2.99Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 3.45Å; V172-G175 PolarHBondContact O-N 2.99Å; V172-G175 VanDerWaalsContact O-N 3.13Å; V172-W176 PolarHBondContact O-N 3.46Å
173T78.9Confident78.6Confident32 Ų3258.2 Ų58.220%0.19629%0.289CS..Hα-helixtrans-60.3-39.9176.9-57.30000111.8M37 I169 N170 F171 G175 W176 D177M37-T173 VanDerWaalsContact CE-CB 3.4Å; M37-T173 HydrophobicContact CE-CG2 3.38Å; I169-T173 WeakPolarHBondContact O-CB 3.02Å; I169-T173 PolarHBondContact O-N 3.39Å; I169-T173 PolarHBondContact O-OG1 2.95Å; N170-T173 PolarHBondContact O-N 3.38Å; F171-T173 VanDerWaalsContact C-N 3.34Å; T173-G175 VanDerWaalsContact C-N 3.31Å; T173-G175 PolarHBondContact O-N 3.43Å; T173-W176 CarbonylContact O-C 3.58Å; T173-W176 WeakPolarHBondContact O-CA 3.29Å; T173-W176 WeakPolarHBondContact O-CB 3.21Å; T173-W176 PolarHBondContact O-N 3.25Å; T173-W176 VanDerWaalsContact O-N 3.1Å; T173-D177 VanDerWaalsContact O-CG 3.22Å; T173-D177 PolarHBondContact O-N 3.09Å
174L78.4Confident78.7Confident48 Ų4850.2 Ų50.225%0.25125%0.254SS..Hα-helixtrans-61-41.2175.2-178.769.6000112M37 L40 N170 F171 V172 W176 D177 T178M37-L174 HydrophobicContact CE-CB 4.47Å; M37-L174 HydrophobicContact CG-CD1 4.3Å; L40-L174 HydrophobicContact CB-CD1 3.99Å; N170-L174 PolarHBondContact O-N 3.35Å; F171-L174 PolarHBondContact O-N 2.93Å; V172-L174 VanDerWaalsContact C-N 3.32Å; V172-L174 PolarHBondContact O-N 3.45Å; L174-W176 VanDerWaalsContact C-N 3.31Å; L174-D177 PolarHBondContact O-N 2.9Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.28Å
175G83.9Confident78.6Confident42 Ų4244.4 Ų44.443%0.43323%0.228SC..Hα-helixtrans-62.3-40.6173.600000112.1F171 V172 T173 T178 Y179F171-G175 PolarHBondContact O-N 3.4Å; V172-G175 PolarHBondContact O-N 2.99Å; V172-G175 VanDerWaalsContact O-N 3.13Å; T173-G175 VanDerWaalsContact C-N 3.31Å; T173-G175 PolarHBondContact O-N 3.43Å; G175-T178 WeakPolarHBondContact O-CB 3.47Å; G175-T178 PolarHBondContact O-N 3.2Å; G175-Y179 PolarHBondContact O-N 3.49Å
176W83.3Confident78.6Confident17 Ų1743.6 Ų43.66%0.06423%0.225CC..Hα-helixtrans-64.4-45.2175.8-170.7-109.7000113F141 M144 D145 V148 W149 V172 T173 L174 T178 Y179 L180F141-W176 HydrophobicContact CD2-CH2 4.33Å; F141-W176 HydrophobicContact CD2-CZ2 4.04Å; F141-W176 HydrophobicContact CE1-CZ2 4Å; F141-W176 AromaticContact CE2-CE2 3.75Å; F141-W176 AromaticContact CE2-CH2 3.86Å; F141-W176 HydrophobicContact CE2-CH2 3.86Å; F141-W176 AromaticContact CE2-CZ2 3.15Å; F141-W176 HydrophobicContact CE2-CZ2 3.15Å; F141-W176 AromaticContact CZ-CE2 3.88Å; F141-W176 HydrophobicContact CZ-CH2 4.14Å; F141-W176 AromaticContact CZ-CZ2 3.21Å; F141-W176 HydrophobicContact CZ-CZ2 3.21Å; M144-W176 HydrophobicContact CB-CH2 4.09Å; M144-W176 HydrophobicContact CB-CZ3 4.1Å; D145-W176 VanDerWaalsContact CA-CH2 3.42Å; D145-W176 HydrophobicContact CB-CH2 3.74Å; D145-W176 HydrophobicContact CB-CZ2 3.84Å; D145-W176 WeakPolarHBondContact OD1-CZ2 3.28Å; V148-W176 HydrophobicContact CB-CE3 4.4Å; V148-W176 HydrophobicContact CB-CZ3 4.19Å; V148-W176 HydrophobicContact CG1-CE3 4.28Å; V148-W176 HydrophobicContact CG2-CE3 4.38Å; V148-W176 HydrophobicContact CG2-CZ3 4.04Å; W149-W176 HydrophobicContact CZ2-CB 4.3Å; W149-W176 AromaticContact CZ2-CD1 3.79Å; W149-W176 HydrophobicContact CZ2-CD2 4.3Å; W149-W176 AromaticContact CZ2-CG 3.87Å; W149-W176 HydrophobicContact CZ2-CG 3.87Å; W149-W176 AromaticContact NE1-CE2 3.8Å; W149-W176 AromaticContact NE1-CZ2 3.91Å; V172-W176 PolarHBondContact O-N 3.46Å; T173-W176 CarbonylContact O-C 3.58Å; T173-W176 WeakPolarHBondContact O-CA 3.29Å; T173-W176 WeakPolarHBondContact O-CB 3.21Å; T173-W176 PolarHBondContact O-N 3.25Å; T173-W176 VanDerWaalsContact O-N 3.1Å; L174-W176 VanDerWaalsContact C-N 3.31Å; W176-T178 VanDerWaalsContact C-N 3.27Å; W176-T178 PolarHBondContact O-N 3.23Å; W176-Y179 HydrophobicContact CE3-CD1 4.19Å; W176-Y179 HydrophobicContact CH2-CD1 4.4Å; W176-Y179 HydrophobicContact CH2-CE1 4.47Å; W176-Y179 AromaticContact CZ3-CD1 3.96Å; W176-Y179 HydrophobicContact CZ3-CD1 3.96Å; W176-Y179 HydrophobicContact CZ3-CE1 4.29Å; W176-Y179 CarbonylContact O-C 3.6Å; W176-Y179 WeakPolarHBondContact O-CB 3.5Å; W176-Y179 PolarHBondContact O-N 3.45Å; W176-Y179 VanDerWaalsContact O-N 3.1Å; W176-L180 PolarHBondContact O-N 2.79Å
177D79.1Confident78.7Confident12 Ų1242.1 Ų42.16%0.06422%0.215CC..Hα-helixtrans-62.2-37.9177.2-66.5-20.7000111.2L38 T173 L174 L180 S181L38-D177 HydrophobicContact CG-CB 4.49Å; T173-D177 VanDerWaalsContact O-CG 3.22Å; T173-D177 PolarHBondContact O-N 3.09Å; L174-D177 PolarHBondContact O-N 2.9Å; D177-L180 PolarHBondContact O-N 2.99Å; D177-S181 PolarHBondContact O-N 3.04Å
178T80.2Confident78.1Confident2 Ų240.4 Ų40.41%0.01220%0.2CC..Hα-helixtrans-64.3-43.9173.3-52.10000111.1L44 Q45 L174 G175 W176 S181 Y182L44-T178 HydrophobicContact CB-CG2 4.3Å; L44-T178 HydrophobicContact CD2-CG2 4.16Å; L44-T178 HydrophobicContact CG-CG2 4.2Å; Q45-T178 HydrophobicContact CB-CG2 4.2Å; L174-T178 PolarHBondContact O-N 2.95Å; L174-T178 PolarHBondContact O-OG1 3.28Å; G175-T178 WeakPolarHBondContact O-CB 3.47Å; G175-T178 PolarHBondContact O-N 3.2Å; W176-T178 VanDerWaalsContact C-N 3.27Å; W176-T178 PolarHBondContact O-N 3.23Å; T178-S181 PolarHBondContact O-N 3.4Å; T178-Y182 PolarHBondContact O-N 3.4Å
179Y82.8Confident77.1Confident45 Ų4538.9 Ų38.918%0.17620%0.197CC..Hα-helixtrans-64.1-39.4176.5175.4-104000112.2M144 G175 W176 Y182 L183M144-Y179 HydrophobicContact CB-CE1 4.12Å; M144-Y179 HydrophobicContact CG-CE1 4.28Å; M144-Y179 WeakPolarHBondContact CG-OH 3.49Å; G175-Y179 PolarHBondContact O-N 3.49Å; W176-Y179 HydrophobicContact CE3-CD1 4.19Å; W176-Y179 HydrophobicContact CH2-CD1 4.4Å; W176-Y179 HydrophobicContact CH2-CE1 4.47Å; W176-Y179 AromaticContact CZ3-CD1 3.96Å; W176-Y179 HydrophobicContact CZ3-CD1 3.96Å; W176-Y179 HydrophobicContact CZ3-CE1 4.29Å; W176-Y179 CarbonylContact O-C 3.6Å; W176-Y179 WeakPolarHBondContact O-CB 3.5Å; W176-Y179 PolarHBondContact O-N 3.45Å; W176-Y179 VanDerWaalsContact O-N 3.1Å; Y179-Y182 HydrophobicContact CD2-CD1 4.29Å; Y179-Y182 HydrophobicContact CE2-CD1 4.33Å; Y179-Y182 WeakPolarHBondContact O-CB 3.26Å; Y179-Y182 PolarHBondContact O-N 2.96Å; Y179-L183 HydrophobicContact CE1-CD2 4.21Å; Y179-L183 WeakPolarHBondContact O-CB 3.31Å; Y179-L183 PolarHBondContact O-N 2.6Å
180L77.4Confident76.3Confident16 Ų1645.7 Ų45.78%0.08422%0.221CC..Hα-helixtrans-60.6-45.9173.8-84.8170.5000111.9L112 F141 W176 D177 Y182 L183 K184L112-L180 HydrophobicContact CD2-CD2 3.89Å; F141-L180 HydrophobicContact CD2-CD2 3.86Å; F141-L180 HydrophobicContact CE2-CD2 3.35Å; F141-L180 HydrophobicContact CE2-CG 4.12Å; F141-L180 HydrophobicContact CZ-CD2 4.3Å; W176-L180 PolarHBondContact O-N 2.79Å; D177-L180 PolarHBondContact O-N 2.99Å; L180-Y182 VanDerWaalsContact C-N 3.33Å; L180-Y182 PolarHBondContact O-N 3.32Å; L180-L183 PolarHBondContact O-N 3.38Å; L180-K184 WeakPolarHBondContact O-CB 3.42Å; L180-K184 PolarHBondContact O-N 3.01Å
181S77.6Confident75.3Confident3 Ų349.1 Ų49.12%0.02123%0.234CC..Hα-helixtrans-63-40.1176.1-175.10000111.7D42 R62 D177 T178 H185D42-S181 PolarHBondContact OD1-OG 3.22Å; R62-S181 PolarHBondContact NH2-OG 2.75Å; D177-S181 PolarHBondContact O-N 3.04Å; T178-S181 PolarHBondContact O-N 3.4Å; S181-H185 PolarHBondContact O-N 3.21Å; S181-H185 VanDerWaalsContact O-N 3.14Å; S181-H185 PolarHBondContact O-ND1 2.82Å
182Y80.8Confident74.3Confident88 Ų8845.5 Ų45.535%0.34523%0.225SC..Hα-helixtrans-60.5-51.8172.5169.4-105.5000112.1T178 Y179 L180 K184 H185 R186T178-Y182 PolarHBondContact O-N 3.4Å; Y179-Y182 HydrophobicContact CD2-CD1 4.29Å; Y179-Y182 HydrophobicContact CE2-CD1 4.33Å; Y179-Y182 WeakPolarHBondContact O-CB 3.26Å; Y179-Y182 PolarHBondContact O-N 2.96Å; L180-Y182 VanDerWaalsContact C-N 3.33Å; L180-Y182 PolarHBondContact O-N 3.32Å; Y182-K184 PolarHBondContact O-N 3.37Å; Y182-H185 PolarHBondContact O-N 3.08Å; Y182-H185 VanDerWaalsContact O-N 3.15Å; Y182-R186 HydrophobicContact CE2-CB 4.34Å; Y182-R186 WeakPolarHBondContact O-CB 3.38Å; Y182-R186 PolarHBondContact O-N 3.23Å
183L80.6Confident73.2Confident8 Ų847.8 Ų47.84%0.04224%0.236CC..Hα-helixtrans-60.4-36.2-177.1-173.262.3000111.2K137 F141 Y179 L180K137-L183 HydrophobicContact CB-CD1 4.49Å; K137-L183 HydrophobicContact CB-CD2 4.43Å; K137-L183 HydrophobicContact CB-CG 4.39Å; K137-L183 HydrophobicContact CD-CD1 4.39Å; K137-L183 HydrophobicContact CD-CG 4.19Å; K137-L183 WeakPolarHBondContact CD-O 3.34Å; K137-L183 VanDerWaalsContact CE-O 3.27Å; K137-L183 WeakPolarHBondContact CE-O 3.25Å; K137-L183 HydrophobicContact CG-CD1 4.41Å; K137-L183 PolarHBondContact NZ-O 2.98Å; F141-L183 HydrophobicContact CB-CD2 3.91Å; F141-L183 HydrophobicContact CD2-CD2 4.04Å; F141-L183 HydrophobicContact CG-CD2 4.49Å; Y179-L183 HydrophobicContact CE1-CD2 4.21Å; Y179-L183 WeakPolarHBondContact O-CB 3.31Å; Y179-L183 PolarHBondContact O-N 2.6Å; L180-L183 PolarHBondContact O-N 3.38Å
184K75.4Confident72.3Confident11 Ų1151.6 Ų51.65%0.04826%0.255CS..Hα-helixtrans-64.1-49.9174.2-176.364-174.5159.50112.1F115 D120 E133 K137 L180 Y182F115-K184 HydrophobicContact CE1-CB 4.09Å; F115-K184 HydrophobicContact CE1-CG 4.24Å; D120-K184 IonicContact OD1-NZ 3.93Å; D120-K184 PolarHBondContact OD1-NZ 3.36Å; D120-K184 IonicContact OD2-NZ 3.71Å; D120-K184 PolarHBondContact OD2-NZ 3.14Å; E133-K184 VanDerWaalsContact CD-NZ 3.33Å; E133-K184 WeakPolarHBondContact OE1-CD 3.27Å; E133-K184 IonicContact OE1-NZ 2.75Å; E133-K184 PolarHBondContact OE1-NZ 3.28Å; E133-K184 IonicContact OE2-NZ 3.36Å; E133-K184 PolarHBondContact OE2-NZ 2.98Å; K137-K184 PolarHBondContact NZ-O 3.5Å; L180-K184 WeakPolarHBondContact O-CB 3.42Å; L180-K184 PolarHBondContact O-N 3.01Å; Y182-K184 PolarHBondContact O-N 3.37Å
185H74.3Confident71.4Confident5 Ų551.9 Ų51.92%0.02326%0.264CS..Hα-helixtrans-97.24.1-169.7-5885.2000115.2R62 S181 Y182 D187 E188 S189R62-H185 VanDerWaalsContact CZ-ND1 3.28Å; R62-H185 PolarHBondContact NE-CE1 3.41Å; R62-H185 VanDerWaalsContact NE-CE1 3.26Å; R62-H185 PolarHBondContact NE-NE2 2.91Å; R62-H185 PolarHBondContact NH1-CD2 3.38Å; R62-H185 PolarHBondContact NH2-CE1 2.83Å; R62-H185 VanDerWaalsContact NH2-CG 3.29Å; R62-H185 PolarHBondContact NH2-ND1 3.03Å; S181-H185 PolarHBondContact O-N 3.21Å; S181-H185 VanDerWaalsContact O-N 3.14Å; S181-H185 PolarHBondContact O-ND1 2.82Å; Y182-H185 PolarHBondContact O-N 3.08Å; Y182-H185 VanDerWaalsContact O-N 3.15Å; H185-D187 VanDerWaalsContact C-N 3.3Å; H185-D187 PolarHBondContact O-N 3.47Å; H185-E188 IonicContact CD2-OE2 3.33Å; H185-E188 PolarHBondContact CD2-OE2 3.48Å; H185-E188 PolarHBondContact O-N 3.41Å; H185-S189 PolarHBondContact O-N 3.09Å; H185-S189 VanDerWaalsContact O-N 3.11Å; H185-S189 PolarHBondContact O-OG 3.19Å
186R74.6Confident70.2Confident56 Ų5653.1 Ų53.121%0.21127%0.266CS..Hα-helixtrans-62.4-32.8-179.576.2178.6-171.9-176.4-7.2114.4E140 Y182 S189 R190E140-R186 IonicContact OE1-CZ 3.5Å; E140-R186 IonicContact OE1-NH1 3.41Å; E140-R186 PolarHBondContact OE1-NH1 2.58Å; E140-R186 IonicContact OE2-CZ 3.44Å; E140-R186 IonicContact OE2-NH1 3.17Å; E140-R186 PolarHBondContact OE2-NH1 3.2Å; E140-R186 IonicContact OE2-NH2 2.78Å; E140-R186 PolarHBondContact OE2-NH2 3.23Å; Y182-R186 HydrophobicContact CE2-CB 4.34Å; Y182-R186 WeakPolarHBondContact O-CB 3.38Å; Y182-R186 PolarHBondContact O-N 3.23Å; R186-S189 VanDerWaalsContact CA-OG 3.26Å; R186-S189 WeakPolarHBondContact CA-OG 3.39Å; R186-S189 PolarHBondContact O-OG 2.87Å; R186-R190 WeakPolarHBondContact O-CB 3.24Å; R186-R190 PolarHBondContact O-N 3.45Å
187D70.4Confident69Low64 Ų6457.1 Ų57.134%0.34229%0.289SS..Hα-helixtrans-80.2-29.9-175.9-57.5-40.1000110.5K137 H185 Q191K137-D187 WeakPolarHBondContact CE-OD2 3.28Å; K137-D187 IonicContact NZ-OD2 3.81Å; K137-D187 PolarHBondContact NZ-OD2 3.34Å; H185-D187 VanDerWaalsContact C-N 3.3Å; H185-D187 PolarHBondContact O-N 3.47Å; D187-Q191 WeakPolarHBondContact O-CG 3.47Å; D187-Q191 PolarHBondContact O-N 3.08Å; D187-Q191 VanDerWaalsContact O-N 3.08Å
188E64.5Low68.1Low65 Ų6560 Ų6030%0.30431%0.309SS..Hα-helixtrans-68.5-43.2171.8-62.6-174.8155.300111.2R125 H185 Q191 V192R125-E188 IonicContact CZ-OE1 2.72Å; R125-E188 IonicContact NH2-OE1 2.72Å; R125-E188 PolarHBondContact NH2-OE1 2.99Å; H185-E188 IonicContact CD2-OE2 3.33Å; H185-E188 PolarHBondContact CD2-OE2 3.48Å; H185-E188 PolarHBondContact O-N 3.41Å; E188-Q191 PolarHBondContact O-N 3.22Å; E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.88Å; E188-V192 VanDerWaalsContact O-N 3.15Å
189S58.6Low67Low22 Ų2262.7 Ų62.715%0.15433%0.329CS..Hα-helixtrans-63.1-42.2174.235.20000111.9H185 R186 Q191 V192 D193H185-S189 PolarHBondContact O-N 3.09Å; H185-S189 VanDerWaalsContact O-N 3.11Å; H185-S189 PolarHBondContact O-OG 3.19Å; R186-S189 VanDerWaalsContact CA-OG 3.26Å; R186-S189 WeakPolarHBondContact CA-OG 3.39Å; R186-S189 PolarHBondContact O-OG 2.87Å; S189-Q191 VanDerWaalsContact C-N 3.33Å; S189-Q191 PolarHBondContact O-N 2.92Å; S189-V192 WeakPolarHBondContact O-CB 3.03Å; S189-V192 PolarHBondContact O-N 3.08Å; S189-V192 VanDerWaalsContact O-N 3.16Å; S189-D193 VanDerWaalsContact O-CG 3.3Å; S189-D193 PolarHBondContact O-N 2.76Å
190R59.6Low65.8Low174 Ų17463.2 Ų63.266%0.65734%0.338SS*.Hα-helixtrans-65.2-32.8177.6-162.6175-171.5172.42.1113.7R186 L194R186-R190 WeakPolarHBondContact O-CB 3.24Å; R186-R190 PolarHBondContact O-N 3.45Å; R190-L194 HydrophobicContact CG-CD1 4.49Å; R190-L194 WeakPolarHBondContact O-CG 3.27Å; R190-L194 PolarHBondContact O-N 3.28Å; R190-L194 VanDerWaalsContact O-N 3.08Å
191Q57.5Low64.7Low142 Ų14266.6 Ų66.666%0.66436%0.36SS*.Hα-helixtrans-69-38173-78.6-176.9-0.700112D187 E188 S189 A195D187-Q191 WeakPolarHBondContact O-CG 3.47Å; D187-Q191 PolarHBondContact O-N 3.08Å; D187-Q191 VanDerWaalsContact O-N 3.08Å; E188-Q191 PolarHBondContact O-N 3.22Å; S189-Q191 VanDerWaalsContact C-N 3.33Å; S189-Q191 PolarHBondContact O-N 2.92Å; Q191-A195 VanDerWaalsContact O-CB 3.26Å; Q191-A195 WeakPolarHBondContact O-CB 3.04Å; Q191-A195 PolarHBondContact O-N 3.37Å
192V59.5Low63.7Low77 Ų7771.8 Ų71.847%0.46739%0.387SS..Hα-helixtrans-64.4-42.5173.7173.30000110.8E188 S189 A195 S196E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.88Å; E188-V192 VanDerWaalsContact O-N 3.15Å; S189-V192 WeakPolarHBondContact O-CB 3.03Å; S189-V192 PolarHBondContact O-N 3.08Å; S189-V192 VanDerWaalsContact O-N 3.16Å; V192-A195 PolarHBondContact O-N 3.42Å; V192-S196 WeakPolarHBondContact O-CB 3.23Å; V192-S196 PolarHBondContact O-N 3.2Å
193D59.3Low62.6Low75 Ų7571.2 Ų71.240%0.40140%0.396SS..Hα-helixtrans-61.7-48.4177.1-65.9-28.4000111.6S189 A195 S196 D197S189-D193 VanDerWaalsContact O-CG 3.3Å; S189-D193 PolarHBondContact O-N 2.76Å; D193-A195 VanDerWaalsContact C-N 3.34Å; D193-A195 PolarHBondContact O-N 3.23Å; D193-S196 PolarHBondContact O-N 2.87Å; D193-D197 PolarHBondContact O-N 2.96Å
194L61.8Low61.3Low112 Ų11277.3 Ų77.359%0.58643%0.425SS*.Hα-helixtrans-64.9-36178.5-71.9169.6000112.7R190 S198R190-L194 HydrophobicContact CG-CD1 4.49Å; R190-L194 WeakPolarHBondContact O-CG 3.27Å; R190-L194 PolarHBondContact O-N 3.28Å; R190-L194 VanDerWaalsContact O-N 3.08Å; L194-S198 WeakPolarHBondContact O-CB 3.11Å; L194-S198 PolarHBondContact O-N 2.98Å; L194-S198 PolarHBondContact O-OG 3.1Å
195A59.5Low60Low53 Ų5382.1 Ų82.144%0.43845%0.447SS..Hα-helixtrans-70.3-38.417500000111.8Q191 V192 D193 S198 S199Q191-A195 VanDerWaalsContact O-CB 3.26Å; Q191-A195 WeakPolarHBondContact O-CB 3.04Å; Q191-A195 PolarHBondContact O-N 3.37Å; V192-A195 PolarHBondContact O-N 3.42Å; D193-A195 VanDerWaalsContact C-N 3.34Å; D193-A195 PolarHBondContact O-N 3.23Å; A195-S198 WeakPolarHBondContact CA-OG 3.33Å; A195-S198 PolarHBondContact O-N 3.03Å; A195-S198 PolarHBondContact O-OG 3.29Å; A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 3Å; A195-S199 PolarHBondContact O-OG 2.95Å
196S57.7Low58.9Low68 Ų6888.7 Ų88.748%0.47648%0.478SS..Hα-helixtrans-66.2-41.9174.7-168.50000111.7V192 D193 S199 S200V192-S196 WeakPolarHBondContact O-CB 3.23Å; V192-S196 PolarHBondContact O-N 3.2Å; D193-S196 PolarHBondContact O-N 2.87Å; S196-S199 WeakPolarHBondContact CA-OG 3.39Å; S196-S199 PolarHBondContact O-N 3.35Å; S196-S199 PolarHBondContact O-OG 3.36Å; S196-S200 WeakPolarHBondContact O-CB 3.22Å; S196-S200 PolarHBondContact O-N 3.25Å; S196-S200 PolarHBondContact O-OG 3.04Å
197D58.2Low57.8Low102 Ų10291.9 Ų91.955%0.54550%0.499SS..Hα-helixtrans-64.3-45.3175.3-77.7-12.3000110.4D193 S199 S200 V201D193-D197 PolarHBondContact O-N 2.96Å; D197-S199 PolarHBondContact O-N 3.25Å; D197-S200 PolarHBondContact O-N 3.43Å; D197-S200 PolarHBondContact O-OG 3.49Å; D197-V201 WeakPolarHBondContact O-CG2 3.01Å; D197-V201 PolarHBondContact O-N 2.99Å; D197-V201 VanDerWaalsContact O-N 3.09Å
198S59.4Low56.7Low71 Ų7194.5 Ų94.550%0.49751%0.512SS..Hα-helixtrans-63.4-38.3178.270.20000113.5L194 A195 V201 D202L194-S198 WeakPolarHBondContact O-CB 3.11Å; L194-S198 PolarHBondContact O-N 2.98Å; L194-S198 PolarHBondContact O-OG 3.1Å; A195-S198 WeakPolarHBondContact CA-OG 3.33Å; A195-S198 PolarHBondContact O-N 3.03Å; A195-S198 PolarHBondContact O-OG 3.29Å; S198-V201 PolarHBondContact O-N 3.25Å; S198-D202 PolarHBondContact O-N 3.46Å; S198-D202 VanDerWaalsContact O-N 3.1Å
199S58.4Low56Low60 Ų6095.8 Ų95.842%0.4253%0.525SS..Hα-helixtrans-73.8-31.1177.956.60000112.7A195 S196 D197 S203A195-S199 WeakPolarHBondContact O-CB 3.36Å; A195-S199 PolarHBondContact O-N 3Å; A195-S199 PolarHBondContact O-OG 2.95Å; S196-S199 WeakPolarHBondContact CA-OG 3.39Å; S196-S199 PolarHBondContact O-N 3.35Å; S196-S199 PolarHBondContact O-OG 3.36Å; D197-S199 PolarHBondContact O-N 3.25Å; S199-S203 WeakPolarHBondContact O-CB 3.17Å; S199-S203 PolarHBondContact O-N 2.79Å; S199-S203 PolarHBondContact O-OG 3.07Å
200S56.1Low55.5Low55 Ų5599.2 Ų99.239%0.38555%0.549SS..Hα-helixtrans-68.1-34.8172.373.50000112.9S196 D197 Q204S196-S200 WeakPolarHBondContact O-CB 3.22Å; S196-S200 PolarHBondContact O-N 3.25Å; S196-S200 PolarHBondContact O-OG 3.04Å; D197-S200 PolarHBondContact O-N 3.43Å; D197-S200 PolarHBondContact O-OG 3.49Å; S200-Q204 WeakPolarHBondContact O-CG 3.3Å; S200-Q204 PolarHBondContact O-N 3.38Å; S200-Q204 VanDerWaalsContact O-N 3.14Å
201V55.9Low54.8Low87 Ų8795.1 Ų95.153%0.52755%0.547SS..Hα-helixtrans-70.3-42.7175.6173.10000111.2D197 S198 S203 Q204 Q205D197-V201 WeakPolarHBondContact O-CG2 3.01Å; D197-V201 PolarHBondContact O-N 2.99Å; D197-V201 VanDerWaalsContact O-N 3.09Å; S198-V201 PolarHBondContact O-N 3.25Å; V201-S203 VanDerWaalsContact C-N 3.34Å; V201-S203 PolarHBondContact O-N 2.9Å; V201-Q204 PolarHBondContact O-N 3.33Å; V201-Q205 WeakPolarHBondContact O-CB 3.49Å; V201-Q205 PolarHBondContact O-N 3.09Å
202D56Low54.6Low113 Ų11397 Ų9760%0.60455%0.553SS**Hα-helixtrans-63.7-40.3176.1-114.92.3000111.7S198 Q204 Q205 E206S198-D202 PolarHBondContact O-N 3.46Å; S198-D202 VanDerWaalsContact O-N 3.1Å; D202-Q204 VanDerWaalsContact C-N 3.33Å; D202-Q204 PolarHBondContact O-N 3.18Å; D202-Q205 PolarHBondContact O-N 2.96Å; D202-E206 PolarHBondContact O-N 3.12Å
203S56.6Low54.2Low76 Ų7698.5 Ų98.553%0.53156%0.564SS.*Hα-helixtrans-64.4-36.2177.2-55.30000112.4S199 V201 D207S199-S203 WeakPolarHBondContact O-CB 3.17Å; S199-S203 PolarHBondContact O-N 2.79Å; S199-S203 PolarHBondContact O-OG 3.07Å; V201-S203 VanDerWaalsContact C-N 3.34Å; V201-S203 PolarHBondContact O-N 2.9Å; S203-D207 PolarHBondContact O-N 3.24Å
204Q53.1Low53.7Low136 Ų136102.9 Ų102.964%0.63659%0.587SS**Hα-helixtrans-73.5-33.9174.3-75.4-176.5-20.300112.3S200 V201 D202 L208S200-Q204 WeakPolarHBondContact O-CG 3.3Å; S200-Q204 PolarHBondContact O-N 3.38Å; S200-Q204 VanDerWaalsContact O-N 3.14Å; V201-Q204 PolarHBondContact O-N 3.33Å; D202-Q204 VanDerWaalsContact C-N 3.33Å; D202-Q204 PolarHBondContact O-N 3.18Å; Q204-L208 WeakPolarHBondContact O-CB 2.97Å; Q204-L208 WeakPolarHBondContact O-CD1 3.45Å; Q204-L208 PolarHBondContact O-N 2.87Å; Q204-L208 VanDerWaalsContact O-N 3.11Å
205Q48.5Very low53.2Low111 Ų111107 Ų10752%0.51960%0.603SS.*Hα-helixtrans-71.1-38.6179-168.572.223.900111.9V201 D202 L208 T209V201-Q205 WeakPolarHBondContact O-CB 3.49Å; V201-Q205 PolarHBondContact O-N 3.09Å; D202-Q205 PolarHBondContact O-N 2.96Å; Q205-L208 PolarHBondContact O-N 3.12Å; Q205-T209 PolarHBondContact O-N 3.36Å; Q205-T209 PolarHBondContact O-OG1 3.23Å
206E51.9Low52.6Low144 Ų144113.6 Ų113.667%0.67363%0.625SS**Hα-helixtrans-64.6-39.8172.7-83.4-169.8146.400112.2D202 L208 T209 S210D202-E206 PolarHBondContact O-N 3.12Å; E206-L208 PolarHBondContact O-N 3.16Å; E206-T209 WeakPolarHBondContact CA-OG1 3.21Å; E206-T209 PolarHBondContact O-N 3.08Å; E206-T209 PolarHBondContact O-OG1 3.33Å; E206-S210 VanDerWaalsContact O-CB 3.26Å; E206-S210 WeakPolarHBondContact O-CB 3.33Å; E206-S210 PolarHBondContact O-N 2.86Å
207D50.6Low52Low122 Ų122120.6 Ų120.665%0.65265%0.647SS**Hα-helixtrans-69.7-33.2178.9-145.518000112S203 S211S203-D207 PolarHBondContact O-N 3.24Å; D207-S211 PolarHBondContact O-N 3.47Å; D207-S211 PolarHBondContact O-OG 2.81Å
208L48.5Very low51.2Low119 Ų119124.2 Ų124.262%0.62369%0.691SS**Hα-helixtrans-74.2-27.7173.5-92.4152000114Q204 Q205 E206 S211Q204-L208 WeakPolarHBondContact O-CB 2.97Å; Q204-L208 WeakPolarHBondContact O-CD1 3.45Å; Q204-L208 PolarHBondContact O-N 2.87Å; Q204-L208 VanDerWaalsContact O-N 3.11Å; Q205-L208 PolarHBondContact O-N 3.12Å; E206-L208 PolarHBondContact O-N 3.16Å; L208-S211 PolarHBondContact O-OG 3.38Å
209T50.3Low50.8Low92 Ų92126.9 Ų126.956%0.56470%0.7SS**Hα-helixtrans-87.5-29.1176.634.90000112.6Q205 E206 S211Q205-T209 PolarHBondContact O-N 3.36Å; Q205-T209 PolarHBondContact O-OG1 3.23Å; E206-T209 WeakPolarHBondContact CA-OG1 3.21Å; E206-T209 PolarHBondContact O-N 3.08Å; E206-T209 PolarHBondContact O-OG1 3.33Å; T209-S211 VanDerWaalsContact C-N 3.34Å
210S46Very low50.4Low94 Ų94130.4 Ų130.466%0.65772%0.715SS**Hα-helixtrans-70.3-27.5174.4-174.30000113E206 K212E206-S210 VanDerWaalsContact O-CB 3.26Å; E206-S210 WeakPolarHBondContact O-CB 3.33Å; E206-S210 PolarHBondContact O-N 2.86Å; S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.05Å
211S46.3Very low50.1Low89 Ų89134.6 Ų134.662%0.62273%0.734SS**THydrogen-bonded Turntrans-84.85.5-177.342.60000115.4D207 L208 T209D207-S211 PolarHBondContact O-N 3.47Å; D207-S211 PolarHBondContact O-OG 2.81Å; L208-S211 PolarHBondContact O-OG 3.38Å; T209-S211 VanDerWaalsContact C-N 3.34Å
212K53.8Low49.7Very low180 Ų180137.4 Ų137.478%0.78375%0.746SS**  trans-121.8103.5165.4-80.3-176175.8179.10110.5S210S210-K212 VanDerWaalsContact C-N 3.33Å; S210-K212 PolarHBondContact O-N 3.05Å
213P50.9Low49.4Very low110 Ų110138.9 Ų138.971%0.71476%0.755SS**  -147.4157.5115.633.8-16.5000115
214L48.5Very low48.9Very low166 Ų166143.1 Ų143.187%0.86977%0.769SS**  trans97.171.6164.1-54.4169000117.5
215E51.5Low48.6Very low198 Ų198143.6 Ų143.693%0.92578%0.779SS**  trans-154.293.3135.3-83.1-147.1133.900109.1
216E46.7Very low48.6Very low192 Ų192146.1 Ų146.190%0.89780%0.799SS**  trans-167.780.9141.5-140.8174168.900110.1
217K44.5Very low48.3Very low215 Ų215146.3 Ų146.394%0.93581%0.809SS**  trans-149.188.2155-100.2-165.5179.5-1780108.1
218A42Very low48.1Very low178 Ų178148.5 Ų148.5100%1.47182%0.824SS**  trans-158.90153.400000108.3

Retrieved 218 of 218 residues in 116.3 ms (Link to these results)

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