A0A077Z6L1_TRITR Loading...

TAFH domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6L1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M39.1Very low30.7Very low229 Ų229130.3 Ų130.3100%1.12878%0.779SS**  0115.50-74.7-143.1-98.700107.9
2S33.6Very low30.4Very low98 Ų98130.7 Ų130.769%0.68577%0.774SS**  trans60.9126141.9-35.90000117.3
3H33.3Very low30.3Very low160 Ų160132 Ų13274%0.74178%0.775SS**  cis-161.8134.421.3-92.5-68.5000107.8
4L33.5Very low30Very low147 Ų147135.1 Ų135.177%0.7779%0.785SS**  63.1115.2117.9-83107.9000117.7
5A32.7Very low30Very low79 Ų79140.5 Ų140.565%0.65379%0.79SS**  85.4113.673.900000111.2
6A27.9Very low29.7Very low93 Ų93137.3 Ų137.377%0.76978%0.779SS**  60.1114.578.100000113.7
7Q29.8Very low29.8Very low190 Ų190138.7 Ų138.789%0.88878%0.782SS**  trans168.2109.5149.8-95.7169.56.300107.9
8S25.3Very low29.6Very low97 Ų97137.8 Ų137.868%0.67878%0.78SS**  83.9121.96274.90000115
9C23.8Very low29.9Very low120 Ų120138.8 Ų138.881%0.81178%0.78SS**  trans59.7119.8137.8-64.20000122.2
10S29.1Very low29.8Very low110 Ų110139.2 Ų139.277%0.76978%0.78SS**  trans-174.4103.4133.3-92.90000109.4
11T29.4Very low29.9Very low110 Ų110139.7 Ų139.768%0.67578%0.781SS**  76.5124.886.357.40000116
12N27.6Very low29.4Very low135 Ų135133.1 Ų133.172%0.72276%0.763SS**  trans76.4112144.5-58.9-16.8000119.3
13N29.3Very low29.3Very low148 Ų148132.5 Ų132.579%0.79176%0.764SS**  -173.6107.9102.5-87.2-21.8000111.6
14L26Very low29.2Very low175 Ų175133.9 Ų133.992%0.91677%0.768SS**  trans-61.4127.5150.2-80.4152.9000108
15Y30Very low29Very low216 Ų216138.7 Ų138.785%0.84778%0.776SS**  trans-138123.2155.3-113.1-87000110.3
16S25.3Very low28.8Very low89 Ų89138.7 Ų138.762%0.62278%0.783SS**  trans-49.9137.7172.2-170.40000112.8T18S16-T18 PolarHBondContact OG-OG1 2.96Å
17I31.3Very low28.7Very low162 Ų162138.9 Ų138.983%0.83179%0.785SS**  trans-125.182.1155.6-56.3176.9000107.2M19I17-M19 HydrophobicContact CG2-CG 4.31Å
18T26.3Very low28.5Very low122 Ų122138.9 Ų138.975%0.74879%0.785SS**  trans-85120.2150.720.90000107.3S16S16-T18 PolarHBondContact OG-OG1 2.96Å
19M34Very low28.7Very low157 Ų157139 Ų13977%0.77379%0.792SS**  trans-122.190.9164.2-83.9-78.3-10100107.5I17I17-M19 HydrophobicContact CG2-CG 4.31Å
20D28.1Very low28.9Very low146 Ų146140.8 Ų140.878%0.78179%0.793SS**  trans-64.9126.1158.7-131.6-41.7000107.8
21N32.1Very low29Very low151 Ų151141.4 Ų141.481%0.80779%0.794SS**  trans-145.873.2164.4-106.1-21.7000108.9
22A28.1Very low28.9Very low91 Ų91140.4 Ų140.475%0.75279%0.791SS**  trans-82.1109.7156.100000109.3
23A32.1Very low28.8Very low85 Ų85140.4 Ų140.470%0.70279%0.792SS**  trans-171.1111.1149.200000113.4
24K31.7Very low28.7Very low189 Ų189142.8 Ų142.882%0.82280%0.795SS**  trans73.6118.9132.3-71.9174.6177.21720120.5
25R28.5Very low28.7Very low247 Ų247137.6 Ų137.693%0.93278%0.783SS**  trans87.7124.3140.2-69.7176.6-180-170.50.2118.3
26G27.9Very low28.4Very low79 Ų79134.6 Ų134.681%0.81478%0.782SS**  trans146.265.6151.600000114.9
27A25.7Very low28.6Very low97 Ų97136.4 Ų136.480%0.80280%0.795SS**  trans-68.7134.3161.400000109.7
28Q26.7Very low28.4Very low191 Ų191135.4 Ų135.489%0.89379%0.791SS**  159.6143.8121.7-85.2-1724.900113
29A29.8Very low28.5Very low99 Ų99136.3 Ų136.382%0.81879%0.791SS**  trans88.990.6153.700000119.8
30L28.6Very low28.1Very low158 Ų158136.6 Ų136.683%0.82780%0.795SS**  trans-56.3161.7143.2-96.6146.7000111.2
31P30.1Very low28Very low122 Ų122133.5 Ų133.579%0.79280%0.797SS**  -138.3144.492.327.3-7.8000115.9
32S26.5Very low27.7Very low89 Ų89135.7 Ų135.762%0.62280%0.799SS**  trans-42.4141.2159.843.90000116.4
33N26.5Very low27.8Very low136 Ų136137 Ų13773%0.72780%0.803SS**  -179.5144.8117.5-108.4-11.7000114.9
34F27.9Very low27.9Very low198 Ų198136.5 Ų136.587%0.86880%0.799SS**  trans68.2122.7168.5-62.3-78.2000117.4
35G24.5Very low27.9Very low65 Ų65133 Ų13367%0.6780%0.798SS**  cis172.1146.25.200000107.5
36D24Very low28.6Very low154 Ų154123.9 Ų123.982%0.82477%0.768SS**  trans4997160.9-61.1-45000119.8
37S31.1Very low29.4Very low127 Ų127122.9 Ų122.989%0.88875%0.748SS**  trans-163.285.6135.1-80.90000110.1
38N25.2Very low30.3Very low141 Ų141122.9 Ų122.975%0.75474%0.74SS**  trans-36.3140.8163.8-100.7-29.8000114.9
39L29.6Very low31.3Very low140 Ų140117.7 Ų117.773%0.73372%0.721SS**  trans83.385.3141.5-60.6160.2000118.3
40L25.2Very low32Very low164 Ų164113.3 Ų113.386%0.85969%0.685SS**  37.5117.4111.2-74.5149.8000117
41G25.7Very low33Very low80 Ų80110.5 Ų110.583%0.82567%0.669SS**  85.638.8129.400000118.8
42K26.2Very low34.1Very low197 Ų197111.1 Ų111.186%0.85766%0.661SS**  trans-122.786.6162.4-69.8-179.1-178.6175.70110.2A44K42-A44 PolarHBondContact O-N 3.15Å
43S30.9Very low35.4Very low119 Ų119109.1 Ų109.183%0.83264%0.644SS**  trans-54.396.1140.437.50000105.3S45S43-S45 PolarHBondContact O-N 3.25Å
44A33.4Very low36.6Very low74 Ų74103.2 Ų103.261%0.61261%0.612SS**  trans-47.6115.916900000105.2K42 L46K42-A44 PolarHBondContact O-N 3.15Å; A44-L46 VanDerWaalsContact C-N 3.28Å; A44-L46 PolarHBondContact O-N 2.9Å
45S32.9Very low37.8Very low117 Ų11797.5 Ų97.582%0.81859%0.59SS**  trans-58.893.7-169.443.30000108.7S43 S47S43-S45 PolarHBondContact O-N 3.25Å; S45-S47 PolarHBondContact O-N 3.03Å
46L43Very low39.2Very low54 Ų5495.2 Ų95.228%0.28356%0.563SS.*  trans-53126.1168.3-73.3169.9000105.4A44 A50 M51 L54 L83 L122A44-L46 VanDerWaalsContact C-N 3.28Å; A44-L46 PolarHBondContact O-N 2.9Å; L46-A50 HydrophobicContact CB-CB 4.43Å; L46-A50 HydrophobicContact CD2-CB 4.36Å; L46-M51 HydrophobicContact CB-CG 3.75Å; L46-M51 HydrophobicContact CB-SD 4.17Å; L46-M51 HydrophobicContact CD1-CG 4.22Å; L46-M51 HydrophobicContact CD1-SD 3.49Å; L46-M51 WeakPolarHBondContact CD1-SD 3.24Å; L46-M51 HydrophobicContact CG-SD 4.47Å; L46-L54 HydrophobicContact CD1-CD1 4.39Å; L46-L83 HydrophobicContact CD2-CD1 3.65Å; L46-L83 HydrophobicContact CD2-CD2 3.22Å; L46-L83 HydrophobicContact CD2-CG 4.06Å; L46-L122 HydrophobicContact CD1-CD1 4.43Å
47S43.7Very low40.1Very low58 Ų5890.7 Ų90.741%0.40655%0.547SS..  trans-55.1144.3176.688.80000107.7S45 T49 A50 M51S45-S47 PolarHBondContact O-N 3.03Å; S47-T49 PolarHBondContact O-N 3.3Å; S47-T49 WeakPolarHBondContact OG-CB 3.4Å; S47-T49 PolarHBondContact OG-N 3.34Å; S47-A50 WeakPolarHBondContact O-CA 3.23Å; S47-A50 WeakPolarHBondContact O-CB 3.42Å; S47-A50 PolarHBondContact O-N 3.5Å; S47-A50 PolarHBondContact OG-N 3.04Å; S47-M51 PolarHBondContact O-N 3.33Å
48P45.3Very low40.8Very low97 Ų9789.5 Ų89.563%0.6354%0.538SS*.Hα-helixtrans-51.7-29.8177.59.3-20.8000111.9M51 Q52P48-M51 PolarHBondContact O-N 3.31Å; P48-Q52 WeakPolarHBondContact O-CB 3.45Å; P48-Q52 WeakPolarHBondContact O-CG 3.46Å; P48-Q52 PolarHBondContact O-N 3.39Å
49T47.9Very low41.9Very low82 Ų8284.4 Ų84.450%0.50351%0.511SS..Hα-helixtrans-64.5-42.9172-40.80000113.3S47 Q52 L53S47-T49 PolarHBondContact O-N 3.3Å; S47-T49 WeakPolarHBondContact OG-CB 3.4Å; S47-T49 PolarHBondContact OG-N 3.34Å; T49-Q52 PolarHBondContact O-N 3.25Å; T49-L53 HydrophobicContact CG2-CD1 4.46Å; T49-L53 WeakPolarHBondContact O-CB 3.29Å; T49-L53 WeakPolarHBondContact O-CG 3.47Å; T49-L53 PolarHBondContact O-N 3.07Å
50A43.6Very low42.8Very low8 Ų884.6 Ų84.67%0.06651%0.508CS..Hα-helixtrans-66.5-39176.200000111.5L46 S47 L53 L54 T79L46-A50 HydrophobicContact CB-CB 4.43Å; L46-A50 HydrophobicContact CD2-CB 4.36Å; S47-A50 WeakPolarHBondContact O-CA 3.23Å; S47-A50 WeakPolarHBondContact O-CB 3.42Å; S47-A50 PolarHBondContact O-N 3.5Å; S47-A50 PolarHBondContact OG-N 3.04Å; A50-L53 PolarHBondContact O-N 3.32Å; A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 VanDerWaalsContact O-CG 3.22Å; A50-L54 WeakPolarHBondContact O-CG 3.06Å; A50-L54 PolarHBondContact O-N 3.49Å; A50-T79 HydrophobicContact CB-CG2 3.86Å
51M49.9Very low43.8Very low99 Ų9988 Ų8849%0.48851%0.509SS..Hα-helixtrans-66.5-39.7173.5-76.8-64-71.900112.2L46 S47 P48 L54 N55L46-M51 HydrophobicContact CB-CG 3.75Å; L46-M51 HydrophobicContact CB-SD 4.17Å; L46-M51 HydrophobicContact CD1-CG 4.22Å; L46-M51 HydrophobicContact CD1-SD 3.49Å; L46-M51 WeakPolarHBondContact CD1-SD 3.24Å; L46-M51 HydrophobicContact CG-SD 4.47Å; S47-M51 PolarHBondContact O-N 3.33Å; P48-M51 PolarHBondContact O-N 3.31Å; M51-L54 CarbonylContact O-C 3.56Å; M51-L54 PolarHBondContact O-N 3.44Å; M51-N55 WeakPolarHBondContact O-CB 3.37Å; M51-N55 PolarHBondContact O-N 3.44Å
52Q53.6Low45Very low134 Ų13491.3 Ų91.363%0.62650%0.504SS*.Hα-helixtrans-65.1-40.4174.9-76.8169.1-10.600112.1P48 T49 L54 N55P48-Q52 WeakPolarHBondContact O-CB 3.45Å; P48-Q52 WeakPolarHBondContact O-CG 3.46Å; P48-Q52 PolarHBondContact O-N 3.39Å; T49-Q52 PolarHBondContact O-N 3.25Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 2.82Å; Q52-N55 CarbonylContact O-C 3.19Å; Q52-N55 PolarHBondContact O-N 3.31Å; Q52-N55 VanDerWaalsContact O-N 3.1Å
53L53Low46.2Very low48 Ų4891.8 Ų91.825%0.25151%0.509SS..Hα-helixtrans-71.7-22.4174.7-72.5175.7000113.4T49 A50 N55 L56T49-L53 HydrophobicContact CG2-CD1 4.46Å; T49-L53 WeakPolarHBondContact O-CB 3.29Å; T49-L53 WeakPolarHBondContact O-CG 3.47Å; T49-L53 PolarHBondContact O-N 3.07Å; A50-L53 PolarHBondContact O-N 3.32Å; L53-N55 VanDerWaalsContact C-N 3.32Å; L53-L56 HydrophobicContact CD2-CD2 4.34Å; L53-L56 WeakPolarHBondContact O-CD1 3.21Å; L53-L56 WeakPolarHBondContact O-CG 3.28Å
54L52.7Low47.9Very low11 Ų1187.2 Ų87.26%0.05848%0.476CS..Hα-helixtrans-85.6-10.3169.7-70.8170.7000112.4L46 A50 M51 Q52 L76 L80 L83 L122 H125 T128L46-L54 HydrophobicContact CD1-CD1 4.39Å; A50-L54 WeakPolarHBondContact O-CB 3.45Å; A50-L54 VanDerWaalsContact O-CG 3.22Å; A50-L54 WeakPolarHBondContact O-CG 3.06Å; A50-L54 PolarHBondContact O-N 3.49Å; M51-L54 CarbonylContact O-C 3.56Å; M51-L54 PolarHBondContact O-N 3.44Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 2.82Å; L54-L76 HydrophobicContact CD2-CD1 4.14Å; L54-L80 HydrophobicContact CD2-CD2 4.28Å; L54-L83 HydrophobicContact CD1-CD1 4.47Å; L54-L122 HydrophobicContact CD1-CD1 4.21Å; L54-L122 HydrophobicContact CD1-CD2 4.36Å; L54-L122 HydrophobicContact CD2-CD2 4.33Å; L54-H125 WeakPolarHBondContact O-CB 3.01Å; L54-T128 VanDerWaalsContact C-OG1 3.31Å; L54-T128 PolarHBondContact O-OG1 3.2Å
55N52.5Low49.8Very low78 Ų7885.4 Ų85.442%0.41746%0.458SS..  trans-118.455.1-179.4-152.36.1000109.9M51 Q52 L53 A57M51-N55 WeakPolarHBondContact O-CB 3.37Å; M51-N55 PolarHBondContact O-N 3.44Å; Q52-N55 CarbonylContact O-C 3.19Å; Q52-N55 PolarHBondContact O-N 3.31Å; Q52-N55 VanDerWaalsContact O-N 3.1Å; L53-N55 VanDerWaalsContact C-N 3.32Å; N55-A57 PolarHBondContact O-N 3.43Å
56L54Low51.8Low17 Ų1783.4 Ų83.49%0.08944%0.442CS..  trans-6928.7-178.5-64.2165.4000113.7L53 S58 L59 L76 T128 F131L53-L56 HydrophobicContact CD2-CD2 4.34Å; L53-L56 WeakPolarHBondContact O-CD1 3.21Å; L53-L56 WeakPolarHBondContact O-CG 3.28Å; L56-S58 PolarHBondContact O-N 3.27Å; L56-L59 HydrophobicContact CB-CD1 4.1Å; L56-L59 HydrophobicContact CD2-CD1 3.88Å; L56-L59 HydrophobicContact CG-CD1 4.39Å; L56-L59 PolarHBondContact O-N 2.85Å; L56-L76 HydrophobicContact CD1-CD2 4.31Å; L56-T128 HydrophobicContact CD1-CG2 4.46Å; L56-F131 HydrophobicContact CD1-CB 4.13Å; L56-F131 HydrophobicContact CD1-CD1 3.35Å; L56-F131 HydrophobicContact CD1-CD2 4.41Å; L56-F131 HydrophobicContact CD1-CE1 3.79Å; L56-F131 HydrophobicContact CD1-CG 3.69Å; L56-F131 HydrophobicContact CD1-CZ 4.48Å
57A43.8Very low53.4Low59 Ų5984.3 Ų84.349%0.48845%0.454SS..THydrogen-bonded Turntrans-58.4-10.817600000113.4N55N55-A57 PolarHBondContact O-N 3.43Å
58S44.9Very low55Low102 Ų10285.9 Ų85.971%0.71346%0.455SS*.THydrogen-bonded Turntrans-84.7-7.9-179.6-46.60000114.7L56L56-S58 PolarHBondContact O-N 3.27Å
59L48.2Very low56.5Low34 Ų3482.5 Ų82.518%0.17843%0.431CS..THydrogen-bonded Turntrans-89.1-4-171-98.7147.7000115.4L56 R61 V64 K72 F131L56-L59 HydrophobicContact CB-CD1 4.1Å; L56-L59 HydrophobicContact CD2-CD1 3.88Å; L56-L59 HydrophobicContact CG-CD1 4.39Å; L56-L59 PolarHBondContact O-N 2.85Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.04Å; L59-V64 HydrophobicContact CD2-CB 4.43Å; L59-V64 HydrophobicContact CD2-CG1 4.37Å; L59-V64 HydrophobicContact CD2-CG2 3.9Å; L59-K72 HydrophobicContact CD1-CD 3.83Å; L59-K72 HydrophobicContact CD2-CD 4.02Å; L59-K72 HydrophobicContact CG-CD 4.29Å; L59-F131 HydrophobicContact CD1-CD2 3.62Å; L59-F131 HydrophobicContact CD1-CE2 3.52Å; L59-F131 HydrophobicContact CD1-CG 4.46Å; L59-F131 HydrophobicContact CD1-CZ 4.32Å; L59-F131 HydrophobicContact CD2-CE2 4.29Å; L59-F131 HydrophobicContact CG-CD2 4.49Å; L59-F131 HydrophobicContact CG-CE2 4.45Å
60E47.9Very low58.1Low145 Ų14579 Ų7968%0.67841%0.409SS*.THydrogen-bonded Turntrans-78.7-1.5-177.9-69.9-171.3150.100114.5Q130E60-Q130 PolarHBondContact OE1-OE1 2.86Å
61R47.8Very low59.8Low234 Ų23481.4 Ų81.488%0.88342%0.421SS*.SBendtrans-135.52.8-167.7-67.1-168.2-169.7170.34.3118.5L59L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.04Å
62E50.1Low61.2Low150 Ų15080.1 Ų80.170%0.70141%0.413SS*.SBendtrans-119.3142.1178.1-75.2-179.2155.400111.2V64E62-V64 HydrophobicContact CB-CG2 4.1Å; E62-V64 WeakPolarHBondContact O-CG2 3.24Å; E62-V64 PolarHBondContact O-N 3.41Å
63H51.8Low62.6Low208 Ų20873.7 Ų73.796%0.96338%0.383SS*.  trans-65.177.9170.3-80.1-75.4000109.6
64V65.3Low64Low23 Ų2372.1 Ų72.114%0.13937%0.374CS..  trans-82.9127.3179.7-178.50000108.5L59 E62 E68 I69L59-V64 HydrophobicContact CD2-CB 4.43Å; L59-V64 HydrophobicContact CD2-CG1 4.37Å; L59-V64 HydrophobicContact CD2-CG2 3.9Å; E62-V64 HydrophobicContact CB-CG2 4.1Å; E62-V64 WeakPolarHBondContact O-CG2 3.24Å; E62-V64 PolarHBondContact O-N 3.41Å; V64-E68 HydrophobicContact CG1-CB 3.39Å; V64-E68 HydrophobicContact CG1-CG 4.47Å; V64-E68 WeakPolarHBondContact CG1-OE2 3.14Å; V64-I69 HydrophobicContact CB-CG1 4.13Å; V64-I69 HydrophobicContact CG1-CG1 3.62Å
65S75.3Confident65.3Low35 Ų3572.4 Ų72.425%0.24538%0.379CS..  trans-62.6147.7177.364.90000110.8S67 E68 I69S65-S67 PolarHBondContact O-N 3.06Å; S65-S67 VanDerWaalsContact O-N 3.1Å; S65-S67 PolarHBondContact OG-OG 3.42Å; S65-E68 WeakPolarHBondContact O-CB 3.26Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-N 3.43Å; S65-E68 PolarHBondContact OG-OE1 2.95Å; S65-I69 PolarHBondContact O-N 2.9Å; S65-I69 VanDerWaalsContact O-N 3.09Å
66P74.4Confident66.6Low75 Ų7568.7 Ų68.749%0.48736%0.36SS..Hα-helixtrans-51.9-35.8177.2-29.836.1000113.4I69 V70 Y138P66-I69 PolarHBondContact O-N 3.27Å; P66-V70 WeakPolarHBondContact O-CG2 3.41Å; P66-V70 PolarHBondContact O-N 2.95Å; P66-V70 VanDerWaalsContact O-N 3.11Å; P66-Y138 HydrophobicContact CB-CD1 3.77Å; P66-Y138 HydrophobicContact CB-CE1 3.91Å; P66-Y138 HydrophobicContact CG-CD1 4.46Å; P66-Y138 HydrophobicContact CG-CE1 4.12Å
67S76.7Confident68.1Low74 Ų7467.9 Ų67.952%0.51736%0.355SS..Hα-helixtrans-62.6-41.9174.342.40000113.1S65 V70 D71S65-S67 PolarHBondContact O-N 3.06Å; S65-S67 VanDerWaalsContact O-N 3.1Å; S65-S67 PolarHBondContact OG-OG 3.42Å; S67-V70 PolarHBondContact O-N 3.49Å; S67-D71 PolarHBondContact O-N 3.46Å
68E77.1Confident69.8Low91 Ų9165.1 Ų65.143%0.42533%0.333SS..Hα-helixtrans-69.6-35.5178.3-76.8160.8-134.800112.1V64 S65 V70 D71 K72V64-E68 HydrophobicContact CG1-CB 3.39Å; V64-E68 HydrophobicContact CG1-CG 4.47Å; V64-E68 WeakPolarHBondContact CG1-OE2 3.14Å; S65-E68 WeakPolarHBondContact O-CB 3.26Å; S65-E68 PolarHBondContact O-N 3.34Å; S65-E68 WeakPolarHBondContact OG-CG 3.31Å; S65-E68 PolarHBondContact OG-N 3.43Å; S65-E68 PolarHBondContact OG-OE1 2.95Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-D71 PolarHBondContact O-N 3.48Å; E68-K72 WeakPolarHBondContact O-CB 3.28Å; E68-K72 VanDerWaalsContact O-CG 3.29Å; E68-K72 WeakPolarHBondContact O-CG 3.36Å; E68-K72 PolarHBondContact O-N 2.89Å
69I76.3Confident71.4Confident26 Ų2661.5 Ų61.513%0.13331%0.306CS..Hα-helixtrans-60.2-46.3173.1-63.2177.3000109.6V64 S65 P66 K72 L73 F131 A135 Y138V64-I69 HydrophobicContact CB-CG1 4.13Å; V64-I69 HydrophobicContact CG1-CG1 3.62Å; S65-I69 PolarHBondContact O-N 2.9Å; S65-I69 VanDerWaalsContact O-N 3.09Å; P66-I69 PolarHBondContact O-N 3.27Å; I69-K72 PolarHBondContact O-N 3.25Å; I69-L73 WeakPolarHBondContact O-CB 3.45Å; I69-L73 PolarHBondContact O-N 2.92Å; I69-F131 HydrophobicContact CG2-CE2 4.13Å; I69-F131 HydrophobicContact CG2-CZ 4.42Å; I69-A135 HydrophobicContact CG2-CB 3.51Å; I69-Y138 HydrophobicContact CD1-CD2 4.4Å; I69-Y138 HydrophobicContact CD1-CE2 3.97Å; I69-Y138 HydrophobicContact CG2-CD2 4.04Å; I69-Y138 HydrophobicContact CG2-CE2 4.5Å
70V81.5Confident72.8Confident7 Ų760 Ų604%0.04230%0.299CS..Hα-helixtrans-68.5-39.2179.71780000111.9P66 S67 E68 K72 L73 K74 L139 E142P66-V70 WeakPolarHBondContact O-CG2 3.41Å; P66-V70 PolarHBondContact O-N 2.95Å; P66-V70 VanDerWaalsContact O-N 3.11Å; S67-V70 PolarHBondContact O-N 3.49Å; E68-V70 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 3.47Å; V70-L73 WeakPolarHBondContact O-CB 3.31Å; V70-L73 PolarHBondContact O-N 2.61Å; V70-K74 HydrophobicContact CG1-CD 4.01Å; V70-K74 VanDerWaalsContact CG1-CE 3.47Å; V70-K74 HydrophobicContact CG1-CG 4.23Å; V70-K74 VanDerWaalsContact O-CG 3.3Å; V70-K74 WeakPolarHBondContact O-CG 3.23Å; V70-K74 PolarHBondContact O-N 2.85Å; V70-L139 HydrophobicContact CG1-CB 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.83Å; V70-E142 WeakPolarHBondContact CG1-OE2 3.35Å
71D80.3Confident74.3Confident60 Ų6053.2 Ų53.232%0.32127%0.267SS..Hα-helixtrans-61.2-43.2173.7-85.6-33000112.1S67 E68 L73 K74 G75 Y158S67-D71 PolarHBondContact O-N 3.46Å; E68-D71 PolarHBondContact O-N 3.48Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.48Å; D71-K74 PolarHBondContact O-N 3.47Å; D71-G75 PolarHBondContact O-N 3.17Å; D71-Y158 VanDerWaalsContact CG-OH 3.27Å; D71-Y158 PolarHBondContact OD1-OH 2.88Å
72K78.5Confident75.5Confident71 Ų7142.7 Ų42.731%0.30923%0.23SC..Hα-helixtrans-62.6-39.9174.3-72.6178.3-172.6176.80111.5L59 E68 I69 V70 G75 L76 F131L59-K72 HydrophobicContact CD1-CD 3.83Å; L59-K72 HydrophobicContact CD2-CD 4.02Å; L59-K72 HydrophobicContact CG-CD 4.29Å; E68-K72 WeakPolarHBondContact O-CB 3.28Å; E68-K72 VanDerWaalsContact O-CG 3.29Å; E68-K72 WeakPolarHBondContact O-CG 3.36Å; E68-K72 PolarHBondContact O-N 2.89Å; I69-K72 PolarHBondContact O-N 3.25Å; V70-K72 PolarHBondContact O-N 3.47Å; K72-G75 PolarHBondContact O-N 2.9Å; K72-L76 PolarHBondContact O-N 2.94Å; K72-F131 HydrophobicContact CB-CZ 3.9Å
73L83.4Confident76.6Confident0 Ų036.4 Ų36.40%020%0.201CC..Hα-helixtrans-65-46176.2-178.463.2000112.1I69 V70 D71 G75 L76 F77 F131 L132 A135 L139I69-L73 WeakPolarHBondContact O-CB 3.45Å; I69-L73 PolarHBondContact O-N 2.92Å; V70-L73 WeakPolarHBondContact O-CB 3.31Å; V70-L73 PolarHBondContact O-N 2.61Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 3.48Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 2.86Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.5Å; L73-F77 HydrophobicContact CD1-CD1 4.07Å; L73-F77 HydrophobicContact CD1-CE1 3.49Å; L73-F77 VanDerWaalsContact CD1-CE1 3.49Å; L73-F77 HydrophobicContact CD1-CZ 3.8Å; L73-F77 HydrophobicContact CD2-CZ 4.33Å; L73-F77 HydrophobicContact CG-CD1 4.5Å; L73-F77 HydrophobicContact CG-CE1 4.09Å; L73-F77 HydrophobicContact CG-CE2 4.37Å; L73-F77 HydrophobicContact CG-CZ 4.03Å; L73-F77 WeakPolarHBondContact O-CG 3.31Å; L73-F77 PolarHBondContact O-N 3.19Å; L73-F131 HydrophobicContact CB-CE1 4.17Å; L73-F131 HydrophobicContact CB-CZ 4.27Å; L73-F131 HydrophobicContact CD1-CE1 4.07Å; L73-L132 HydrophobicContact CD1-CD2 3.61Å; L73-A135 HydrophobicContact CB-CB 4.17Å; L73-A135 HydrophobicContact CD1-CB 4.24Å; L73-A135 HydrophobicContact CD2-CB 3.9Å; L73-A135 HydrophobicContact CG-CB 4.34Å; L73-L139 HydrophobicContact CD2-CB 3.75Å; L73-L139 HydrophobicContact CD2-CD2 3.61Å; L73-L139 HydrophobicContact CD2-CG 4.32Å; L73-L139 HydrophobicContact CG-CD2 4.28Å
74K81.3Confident77.7Confident14 Ų1426.5 Ų26.56%0.06116%0.155CC..Hα-helixtrans-63.2-37.9176.3-65.7166.7175.5165.40111.2V70 D71 F77 G78 L139 E142 I154 Y158V70-K74 HydrophobicContact CG1-CD 4.01Å; V70-K74 VanDerWaalsContact CG1-CE 3.47Å; V70-K74 HydrophobicContact CG1-CG 4.23Å; V70-K74 VanDerWaalsContact O-CG 3.3Å; V70-K74 WeakPolarHBondContact O-CG 3.23Å; V70-K74 PolarHBondContact O-N 2.85Å; D71-K74 PolarHBondContact O-N 3.47Å; K74-F77 PolarHBondContact O-N 3.07Å; K74-G78 PolarHBondContact O-N 2.77Å; K74-L139 HydrophobicContact CG-CD1 4.46Å; K74-E142 WeakPolarHBondContact CE-OE2 3.33Å; K74-E142 IonicContact NZ-OE1 3.81Å; K74-E142 PolarHBondContact NZ-OE1 3.11Å; K74-E142 IonicContact NZ-OE2 2.84Å; K74-E142 PolarHBondContact NZ-OE2 2.8Å; K74-I154 WeakPolarHBondContact CD-O 3.34Å; K74-I154 WeakPolarHBondContact CE-O 3.38Å; K74-Y158 HydrophobicContact CB-CD2 3.35Å; K74-Y158 HydrophobicContact CB-CE2 3.73Å; K74-Y158 HydrophobicContact CB-CG 4.31Å; K74-Y158 HydrophobicContact CD-CD2 4.19Å; K74-Y158 HydrophobicContact CD-CE2 3.96Å; K74-Y158 HydrophobicContact CG-CD2 4.38Å
75G79.5Confident78Confident17 Ų1727 Ų2718%0.17516%0.161CC..Hα-helixtrans-61.5-42.2171.800000113.3D71 K72 L73 G78 T79D71-G75 PolarHBondContact O-N 3.17Å; K72-G75 PolarHBondContact O-N 2.9Å; L73-G75 VanDerWaalsContact C-N 3.29Å; L73-G75 PolarHBondContact O-N 2.86Å; G75-G78 PolarHBondContact O-N 3.36Å; G75-T79 PolarHBondContact O-N 3.21Å; G75-T79 PolarHBondContact O-OG1 3.42Å
76L81.4Confident77.9Confident1 Ų130.4 Ų30.41%0.00517%0.173CC..Hα-helixtrans-61.4-46.4172.8177.964.9000111.3L54 L56 K72 L73 G78 T79 L80 T128 F131 L132L54-L76 HydrophobicContact CD2-CD1 4.14Å; L56-L76 HydrophobicContact CD1-CD2 4.31Å; K72-L76 PolarHBondContact O-N 2.94Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.5Å; L76-G78 PolarHBondContact O-N 3.46Å; L76-T79 WeakPolarHBondContact O-CB 3.1Å; L76-T79 PolarHBondContact O-N 2.89Å; L76-L80 HydrophobicContact CD1-CG 4.4Å; L76-L80 HydrophobicContact CG-CD1 4.25Å; L76-L80 WeakPolarHBondContact O-CG 3.24Å; L76-L80 PolarHBondContact O-N 3.48Å; L76-T128 HydrophobicContact CD1-CG2 4.49Å; L76-T128 HydrophobicContact CD2-CG2 3.9Å; L76-F131 HydrophobicContact CD2-CD1 4.28Å; L76-F131 HydrophobicContact CD2-CE1 4.36Å; L76-L132 HydrophobicContact CD2-CD2 3.98Å; L76-L132 HydrophobicContact CD2-CG 4.46Å
77F85.1Confident77.7Confident0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-62.7-41.4177.8-75.26.3000112.6L73 K74 T79 L80 C81 L99 L102 V103 L132 L139 I155L73-F77 HydrophobicContact CD1-CD1 4.07Å; L73-F77 HydrophobicContact CD1-CE1 3.49Å; L73-F77 VanDerWaalsContact CD1-CE1 3.49Å; L73-F77 HydrophobicContact CD1-CZ 3.8Å; L73-F77 HydrophobicContact CD2-CZ 4.33Å; L73-F77 HydrophobicContact CG-CD1 4.5Å; L73-F77 HydrophobicContact CG-CE1 4.09Å; L73-F77 HydrophobicContact CG-CE2 4.37Å; L73-F77 HydrophobicContact CG-CZ 4.03Å; L73-F77 WeakPolarHBondContact O-CG 3.31Å; L73-F77 PolarHBondContact O-N 3.19Å; K74-F77 PolarHBondContact O-N 3.07Å; F77-T79 VanDerWaalsContact C-N 3.32Å; F77-T79 PolarHBondContact O-N 3Å; F77-L80 PolarHBondContact O-N 3.29Å; F77-C81 WeakPolarHBondContact O-CB 3.39Å; F77-C81 PolarHBondContact O-N 3.3Å; F77-C81 PolarHBondContact O-SG 3.1Å; F77-L99 HydrophobicContact CB-CD1 3.88Å; F77-L99 HydrophobicContact CD1-CD1 4.11Å; F77-L99 HydrophobicContact CD1-CD2 3.63Å; F77-L99 HydrophobicContact CD1-CG 4.4Å; F77-L99 HydrophobicContact CD2-CB 4.45Å; F77-L99 HydrophobicContact CD2-CD1 4.38Å; F77-L99 HydrophobicContact CE1-CD2 3.58Å; F77-L99 HydrophobicContact CE2-CB 4.45Å; F77-L99 HydrophobicContact CG-CD1 3.88Å; F77-L99 HydrophobicContact CG-CD2 4.14Å; F77-L99 HydrophobicContact CG-CG 4.45Å; F77-L99 HydrophobicContact CZ-CD2 4.05Å; F77-L102 HydrophobicContact CE1-CD2 4.31Å; F77-L102 HydrophobicContact CZ-CD2 4Å; F77-V103 HydrophobicContact CE2-CG2 3.64Å; F77-V103 HydrophobicContact CZ-CG2 4.13Å; F77-L132 HydrophobicContact CE1-CD2 3.96Å; F77-L139 HydrophobicContact CD2-CD2 4.36Å; F77-L139 HydrophobicContact CE2-CD2 3.67Å; F77-L139 HydrophobicContact CZ-CD2 4.38Å; F77-I155 HydrophobicContact CD2-CG2 3.64Å; F77-I155 HydrophobicContact CE2-CG2 4.02Å
78G80.1Confident77.3Confident1 Ų129.5 Ų29.51%0.0116%0.159CC..Hα-helixtrans-59.5-43.5172.900000111.9K74 G75 L76 C81 A82K74-G78 PolarHBondContact O-N 2.77Å; G75-G78 PolarHBondContact O-N 3.36Å; L76-G78 PolarHBondContact O-N 3.46Å; G78-C81 PolarHBondContact O-N 2.91Å; G78-A82 WeakPolarHBondContact O-CB 3.36Å; G78-A82 PolarHBondContact O-N 3.01Å
79T76.9Confident77Confident25 Ų2529.6 Ų29.615%0.15317%0.167CC..Hα-helixtrans-63.4-49.2176.8-56.40000111.3A50 G75 L76 F77 C81 A82 L83A50-T79 HydrophobicContact CB-CG2 3.86Å; G75-T79 PolarHBondContact O-N 3.21Å; G75-T79 PolarHBondContact O-OG1 3.42Å; L76-T79 WeakPolarHBondContact O-CB 3.1Å; L76-T79 PolarHBondContact O-N 2.89Å; F77-T79 VanDerWaalsContact C-N 3.32Å; F77-T79 PolarHBondContact O-N 3Å; T79-C81 VanDerWaalsContact C-N 3.33Å; T79-C81 PolarHBondContact O-N 3.43Å; T79-A82 PolarHBondContact O-N 2.72Å; T79-A82 VanDerWaalsContact O-N 3.14Å; T79-L83 HydrophobicContact CG2-CD1 4.26Å; T79-L83 HydrophobicContact CG2-CG 4.39Å; T79-L83 VanDerWaalsContact O-CG 3.31Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 2.92Å
80L78.6Confident76.6Confident4 Ų432.7 Ų32.72%0.02119%0.191CC..Hα-helixtrans-59.4-42.6177.7-71.7175000112.1L54 L76 F77 A82 L83 A84 M95 L99 L116 L122L54-L80 HydrophobicContact CD2-CD2 4.28Å; L76-L80 HydrophobicContact CD1-CG 4.4Å; L76-L80 HydrophobicContact CG-CD1 4.25Å; L76-L80 WeakPolarHBondContact O-CG 3.24Å; L76-L80 PolarHBondContact O-N 3.48Å; F77-L80 PolarHBondContact O-N 3.29Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-L83 PolarHBondContact O-N 2.83Å; L80-A84 VanDerWaalsContact O-CB 3.32Å; L80-A84 WeakPolarHBondContact O-CB 3.37Å; L80-A84 PolarHBondContact O-N 3.42Å; L80-M95 HydrophobicContact CB-CE 3.83Å; L80-M95 HydrophobicContact CB-CG 4.27Å; L80-M95 HydrophobicContact CB-SD 3.73Å; L80-M95 HydrophobicContact CD1-SD 4.43Å; L80-M95 HydrophobicContact CD2-CE 4.34Å; L80-L99 HydrophobicContact CD1-CD2 4.16Å; L80-L116 HydrophobicContact CD1-CD1 4.43Å; L80-L122 HydrophobicContact CD2-CD2 3.62Å
81C79.3Confident76.1Confident2 Ų235.7 Ų35.71%0.01420%0.204CC..Hα-helixtrans-64.4-38.1175.4-70.80000112.7F77 G78 T79 A85 S92 M95 A159F77-C81 WeakPolarHBondContact O-CB 3.39Å; F77-C81 PolarHBondContact O-N 3.3Å; F77-C81 PolarHBondContact O-SG 3.1Å; G78-C81 PolarHBondContact O-N 2.91Å; T79-C81 VanDerWaalsContact C-N 3.33Å; T79-C81 PolarHBondContact O-N 3.43Å; C81-A85 VanDerWaalsContact O-CB 3.31Å; C81-A85 WeakPolarHBondContact O-CB 3.28Å; C81-A85 PolarHBondContact O-N 2.85Å; C81-S92 PolarHBondContact O-OG 2.72Å; C81-M95 HydrophobicContact CB-CG 4.5Å; C81-A159 HydrophobicContact CB-CB 4.37Å
82A72Confident75.7Confident12 Ų1233.2 Ų33.210%0.09919%0.191CC..Hα-helixtrans-68.4-42.7176.600000111.7G78 T79 L80 A84 A85 Q86 A162G78-A82 WeakPolarHBondContact O-CB 3.36Å; G78-A82 PolarHBondContact O-N 3.01Å; T79-A82 PolarHBondContact O-N 2.72Å; T79-A82 VanDerWaalsContact O-N 3.14Å; L80-A82 VanDerWaalsContact C-N 3.35Å; A82-A84 VanDerWaalsContact C-N 3.33Å; A82-A84 PolarHBondContact O-N 3.5Å; A82-A85 PolarHBondContact O-N 3.42Å; A82-Q86 WeakPolarHBondContact O-CG 3.5Å; A82-Q86 PolarHBondContact O-N 3.45Å; A82-A162 HydrophobicContact CB-CB 3.8Å
83L73.8Confident75.3Confident18 Ų1833.9 Ų33.99%0.09419%0.194CC..Hα-helixtrans-61.3-43174.2-68180000111.7L46 L54 T79 L80 A85 Q86 Q87 L122L46-L83 HydrophobicContact CD2-CD1 3.65Å; L46-L83 HydrophobicContact CD2-CD2 3.22Å; L46-L83 HydrophobicContact CD2-CG 4.06Å; L54-L83 HydrophobicContact CD1-CD1 4.47Å; T79-L83 HydrophobicContact CG2-CD1 4.26Å; T79-L83 HydrophobicContact CG2-CG 4.39Å; T79-L83 VanDerWaalsContact O-CG 3.31Å; T79-L83 WeakPolarHBondContact O-CG 3.41Å; T79-L83 PolarHBondContact O-N 2.92Å; L80-L83 PolarHBondContact O-N 2.83Å; L83-A85 VanDerWaalsContact C-N 3.34Å; L83-Q86 PolarHBondContact O-N 2.81Å; L83-Q87 PolarHBondContact O-N 3.3Å; L83-L122 HydrophobicContact CD1-CD2 4.27Å
84A74.3Confident74.9Confident0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-63.4-41.7175.300000111.8L80 A82 Q86 Q87 S88 K91 M95 I120L80-A84 VanDerWaalsContact O-CB 3.32Å; L80-A84 WeakPolarHBondContact O-CB 3.37Å; L80-A84 PolarHBondContact O-N 3.42Å; A82-A84 VanDerWaalsContact C-N 3.33Å; A82-A84 PolarHBondContact O-N 3.5Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.43Å; A84-Q87 PolarHBondContact O-N 2.9Å; A84-S88 PolarHBondContact O-N 3.26Å; A84-K91 HydrophobicContact CB-CB 4.36Å; A84-K91 WeakPolarHBondContact CB-O 3.33Å; A84-M95 HydrophobicContact CB-CB 3.6Å; A84-M95 HydrophobicContact CB-CE 4.28Å; A84-M95 HydrophobicContact CB-CG 4.06Å; A84-I120 HydrophobicContact CB-CD1 3.52Å
85A73.2Confident74.8Confident33 Ų3336.4 Ų36.427%0.27321%0.207SC..Hα-helixtrans-64.4-34.7177.200000113.4C81 A82 L83 Q87C81-A85 VanDerWaalsContact O-CB 3.31Å; C81-A85 WeakPolarHBondContact O-CB 3.28Å; C81-A85 PolarHBondContact O-N 2.85Å; A82-A85 PolarHBondContact O-N 3.42Å; L83-A85 VanDerWaalsContact C-N 3.34Å; A85-Q87 VanDerWaalsContact C-N 3.25Å; A85-Q87 PolarHBondContact O-N 3.48Å
86Q72Confident74.9Confident107 Ų10738.7 Ų38.750%0.521%0.211SC..Hα-helixtrans-65-29.5175-73.5175.717.700112.7A82 L83 A84A82-Q86 WeakPolarHBondContact O-CG 3.5Å; A82-Q86 PolarHBondContact O-N 3.45Å; L83-Q86 PolarHBondContact O-N 2.81Å; A84-Q86 VanDerWaalsContact C-N 3.34Å; A84-Q86 PolarHBondContact O-N 3.43Å
87Q69.9Low74.8Confident95 Ų9543.2 Ų43.244%0.44423%0.228SC..Hα-helixtrans-81.4-51.1176.8-65-170.11.900111.5L83 A84 A85 K91 I120L83-Q87 PolarHBondContact O-N 3.3Å; A84-Q87 PolarHBondContact O-N 2.9Å; A85-Q87 VanDerWaalsContact C-N 3.25Å; A85-Q87 PolarHBondContact O-N 3.48Å; Q87-K91 HydrophobicContact CB-CD 3.69Å; Q87-K91 VanDerWaalsContact OE1-CD 3.27Å; Q87-I120 VanDerWaalsContact NE2-CG2 3.31Å; Q87-I120 PolarHBondContact NE2-O 3.45Å
88S69Low74.6Confident36 Ų3643.6 Ų43.625%0.25223%0.23SC..  trans-164.8153.5170.5690000111.8A84 S90 K91 S92A84-S88 PolarHBondContact O-N 3.26Å; S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.23Å; S88-K91 PolarHBondContact O-N 3.27Å; S88-K91 VanDerWaalsContact O-N 3.13Å; S88-K91 WeakPolarHBondContact OG-CB 3.32Å; S88-K91 VanDerWaalsContact OG-CG 3.28Å; S88-K91 WeakPolarHBondContact OG-CG 3.16Å; S88-K91 PolarHBondContact OG-N 2.94Å; S88-K91 VanDerWaalsContact OG-N 3.12Å; S88-S92 PolarHBondContact O-N 3.08Å; S88-S92 VanDerWaalsContact O-N 3.12Å
89P69.9Low74.8Confident92 Ų9243.5 Ų43.560%0.59723%0.229SC*.Hα-helixtrans-54.6-44.4172.6-25.834.5000112K91 S92 F93P89-K91 VanDerWaalsContact C-N 3.29Å; P89-K91 PolarHBondContact O-N 2.86Å; P89-S92 WeakPolarHBondContact O-CA 3.43Å; P89-S92 VanDerWaalsContact O-CB 3.27Å; P89-S92 WeakPolarHBondContact O-CB 3.22Å; P89-S92 PolarHBondContact O-N 2.8Å; P89-F93 HydrophobicContact CB-CE2 4.38Å; P89-F93 WeakPolarHBondContact O-CD2 3.49Å; P89-F93 PolarHBondContact O-N 3.38Å
90S68.7Low75Confident92 Ų9243.7 Ų43.764%0.64323%0.229SC*.Hα-helixtrans-58.1-38.3177.9-46.80000112.8S88 F93 L94S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.23Å; S90-F93 PolarHBondContact O-N 3.44Å; S90-L94 PolarHBondContact O-N 3.26Å
91K71.4Confident75.1Confident70 Ų7047.9 Ų47.930%0.30424%0.244SC..Hα-helixtrans-68.8-35.6174.5-78.6177.9171.7-171.20112.1A84 Q87 S88 P89 F93 L94 M95 C119A84-K91 HydrophobicContact CB-CB 4.36Å; A84-K91 WeakPolarHBondContact CB-O 3.33Å; Q87-K91 HydrophobicContact CB-CD 3.69Å; Q87-K91 VanDerWaalsContact OE1-CD 3.27Å; S88-K91 PolarHBondContact O-N 3.27Å; S88-K91 VanDerWaalsContact O-N 3.13Å; S88-K91 WeakPolarHBondContact OG-CB 3.32Å; S88-K91 VanDerWaalsContact OG-CG 3.28Å; S88-K91 WeakPolarHBondContact OG-CG 3.16Å; S88-K91 PolarHBondContact OG-N 2.94Å; S88-K91 VanDerWaalsContact OG-N 3.12Å; P89-K91 VanDerWaalsContact C-N 3.29Å; P89-K91 PolarHBondContact O-N 2.86Å; K91-F93 VanDerWaalsContact C-N 3.34Å; K91-L94 PolarHBondContact O-N 2.93Å; K91-M95 WeakPolarHBondContact O-CB 3.4Å; K91-M95 PolarHBondContact O-N 3.12Å; K91-C119 WeakPolarHBondContact CE-O 3.27Å; K91-C119 PolarHBondContact NZ-O 3.38Å
92S71.6Confident75.3Confident7 Ų747.9 Ų47.95%0.04924%0.244CC..Hα-helixtrans-61.4-42.8172.8-161.40000112.2C81 S88 P89 M95 R96C81-S92 PolarHBondContact O-OG 2.72Å; S88-S92 PolarHBondContact O-N 3.08Å; S88-S92 VanDerWaalsContact O-N 3.12Å; P89-S92 WeakPolarHBondContact O-CA 3.43Å; P89-S92 VanDerWaalsContact O-CB 3.27Å; P89-S92 WeakPolarHBondContact O-CB 3.22Å; P89-S92 PolarHBondContact O-N 2.8Å; S92-M95 PolarHBondContact O-N 3.31Å; S92-R96 WeakPolarHBondContact O-CG 3.32Å; S92-R96 PolarHBondContact O-N 3.37Å
93F69.2Low75.8Confident85 Ų8547.4 Ų47.437%0.37324%0.24SC..Hα-helixtrans-62.2-46.7174.9-72.5-70.1000112.1P89 S90 K91 M95 R96 R97 M275P89-F93 HydrophobicContact CB-CE2 4.38Å; P89-F93 WeakPolarHBondContact O-CD2 3.49Å; P89-F93 PolarHBondContact O-N 3.38Å; S90-F93 PolarHBondContact O-N 3.44Å; K91-F93 VanDerWaalsContact C-N 3.34Å; F93-M95 VanDerWaalsContact C-N 3.34Å; F93-M95 PolarHBondContact O-N 3.31Å; F93-R96 PolarHBondContact O-N 3.3Å; F93-R97 PolarHBondContact O-N 3.2Å; F93-M275 HydrophobicContact CE1-CE 3.34Å; F93-M275 HydrophobicContact CE1-SD 3.72Å; F93-M275 HydrophobicContact CZ-CE 3.57Å; F93-M275 HydrophobicContact CZ-SD 3.55Å; F93-M275 VanDerWaalsContact CZ-SD 3.55Å
94L76Confident75.9Confident65 Ų6550.6 Ų50.634%0.3425%0.252SS..Hα-helixtrans-58.9-47.6176.3-174.857.7000110.9S90 K91 R96 R97 L98 C119S90-L94 PolarHBondContact O-N 3.26Å; K91-L94 PolarHBondContact O-N 2.93Å; L94-R96 PolarHBondContact O-N 3.49Å; L94-R97 WeakPolarHBondContact O-CB 3.36Å; L94-R97 PolarHBondContact O-N 3.42Å; L94-R97 VanDerWaalsContact O-N 3.12Å; L94-L98 HydrophobicContact CD1-CG 4.48Å; L94-L98 HydrophobicContact CG-CG 4.48Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.86Å; L94-C119 HydrophobicContact CD2-CB 3.98Å; L94-C119 WeakPolarHBondContact CD2-SG 3.29Å
95M79.7Confident75.8Confident2 Ų256.6 Ų56.61%0.0128%0.284CS..Hα-helixtrans-55.4-49.4175.8174.961.572.600112.1L80 C81 A84 K91 S92 F93 R97 L98 L99 L116 I120L80-M95 HydrophobicContact CB-CE 3.83Å; L80-M95 HydrophobicContact CB-CG 4.27Å; L80-M95 HydrophobicContact CB-SD 3.73Å; L80-M95 HydrophobicContact CD1-SD 4.43Å; L80-M95 HydrophobicContact CD2-CE 4.34Å; C81-M95 HydrophobicContact CB-CG 4.5Å; A84-M95 HydrophobicContact CB-CB 3.6Å; A84-M95 HydrophobicContact CB-CE 4.28Å; A84-M95 HydrophobicContact CB-CG 4.06Å; K91-M95 WeakPolarHBondContact O-CB 3.4Å; K91-M95 PolarHBondContact O-N 3.12Å; S92-M95 PolarHBondContact O-N 3.31Å; F93-M95 VanDerWaalsContact C-N 3.34Å; F93-M95 PolarHBondContact O-N 3.31Å; M95-R97 VanDerWaalsContact C-N 3.29Å; M95-R97 PolarHBondContact O-N 2.85Å; M95-L98 PolarHBondContact O-N 3.29Å; M95-L98 VanDerWaalsContact O-N 3.17Å; M95-L99 HydrophobicContact CG-CD1 3.97Å; M95-L99 HydrophobicContact CG-CG 4.41Å; M95-L99 VanDerWaalsContact O-CG 3.3Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 3.46Å; M95-L99 HydrophobicContact SD-CD1 3.88Å; M95-L99 HydrophobicContact SD-CD2 4.31Å; M95-L99 HydrophobicContact SD-CG 3.89Å; M95-L116 HydrophobicContact CE-CD2 3.09Å; M95-L116 HydrophobicContact CE-CG 4.49Å; M95-L116 HydrophobicContact SD-CD2 3.58Å; M95-L116 VanDerWaalsContact SD-CD2 3.58Å; M95-I120 HydrophobicContact CE-CD1 3.18Å; M95-I120 HydrophobicContact CE-CG1 4.45Å
96R80.7Confident75.5Confident65 Ų6560.4 Ų60.425%0.24530%0.299CS..Hα-helixtrans-58.1-43177.1-73-179.9-177.3-172.21.5111.5S92 F93 L94 L99 L100 F156S92-R96 WeakPolarHBondContact O-CG 3.32Å; S92-R96 PolarHBondContact O-N 3.37Å; F93-R96 PolarHBondContact O-N 3.3Å; L94-R96 PolarHBondContact O-N 3.49Å; R96-L99 PolarHBondContact O-N 3.43Å; R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.02Å; R96-F156 HydrophobicContact CB-CE1 4.35Å; R96-F156 HydrophobicContact CB-CE2 4.25Å; R96-F156 HydrophobicContact CB-CZ 3.83Å; R96-F156 HydrophobicContact CG-CD1 4.44Å; R96-F156 HydrophobicContact CG-CE1 3.95Å; R96-F156 HydrophobicContact CG-CE2 4.31Å; R96-F156 HydrophobicContact CG-CZ 3.88Å
97R78.6Confident75.8Confident97 Ų9756 Ų5637%0.36628%0.28SS..Hα-helixtrans-61.5-44.3175.9-176.6-177.9177.7155.98112F93 L94 M95 L100 R101 D267F93-R97 PolarHBondContact O-N 3.2Å; L94-R97 WeakPolarHBondContact O-CB 3.36Å; L94-R97 PolarHBondContact O-N 3.42Å; L94-R97 VanDerWaalsContact O-N 3.12Å; M95-R97 VanDerWaalsContact C-N 3.29Å; M95-R97 PolarHBondContact O-N 2.85Å; R97-L100 PolarHBondContact O-N 3.39Å; R97-R101 WeakPolarHBondContact O-CG 3.32Å; R97-R101 PolarHBondContact O-N 3.46Å; R97-D267 IonicContact CZ-OD2 2.87Å; R97-D267 IonicContact NH1-OD2 2.61Å; R97-D267 PolarHBondContact NH1-OD2 3.12Å; R97-D267 IonicContact NH2-OD2 3.73Å; R97-D267 PolarHBondContact NH2-OD2 2.95Å
98L81.7Confident76.3Confident7 Ų754.8 Ų54.84%0.03728%0.28CS..Hα-helixtrans-62.8-43.2178.3-66.3-172.4000111.8L94 M95 R101 L102 L112 E115 L116L94-L98 HydrophobicContact CD1-CG 4.48Å; L94-L98 HydrophobicContact CG-CG 4.48Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.86Å; M95-L98 PolarHBondContact O-N 3.29Å; M95-L98 VanDerWaalsContact O-N 3.17Å; L98-R101 PolarHBondContact O-N 2.96Å; L98-L102 PolarHBondContact O-N 2.93Å; L98-L112 HydrophobicContact CB-CD1 3.66Å; L98-L112 HydrophobicContact CD1-CD1 4.42Å; L98-E115 HydrophobicContact CD1-CB 3.83Å; L98-E115 HydrophobicContact CD2-CB 4.27Å; L98-E115 WeakPolarHBondContact CD2-OE2 3.44Å; L98-L116 HydrophobicContact CD1-CD2 4.17Å
99L84.7Confident76.9Confident0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-66.9-39.4177.2-65.3176.3000112.1F77 L80 M95 R96 L102 V103 L112 F156F77-L99 HydrophobicContact CB-CD1 3.88Å; F77-L99 HydrophobicContact CD1-CD1 4.11Å; F77-L99 HydrophobicContact CD1-CD2 3.63Å; F77-L99 HydrophobicContact CD1-CG 4.4Å; F77-L99 HydrophobicContact CD2-CB 4.45Å; F77-L99 HydrophobicContact CD2-CD1 4.38Å; F77-L99 HydrophobicContact CE1-CD2 3.58Å; F77-L99 HydrophobicContact CE2-CB 4.45Å; F77-L99 HydrophobicContact CG-CD1 3.88Å; F77-L99 HydrophobicContact CG-CD2 4.14Å; F77-L99 HydrophobicContact CG-CG 4.45Å; F77-L99 HydrophobicContact CZ-CD2 4.05Å; L80-L99 HydrophobicContact CD1-CD2 4.16Å; M95-L99 HydrophobicContact CG-CD1 3.97Å; M95-L99 HydrophobicContact CG-CG 4.41Å; M95-L99 VanDerWaalsContact O-CG 3.3Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 3.46Å; M95-L99 HydrophobicContact SD-CD1 3.88Å; M95-L99 HydrophobicContact SD-CD2 4.31Å; M95-L99 HydrophobicContact SD-CG 3.89Å; R96-L99 PolarHBondContact O-N 3.43Å; L99-L102 WeakPolarHBondContact O-CB 3.22Å; L99-L102 PolarHBondContact O-N 3.49Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 3.04Å; L99-L112 HydrophobicContact CD2-CD1 4.46Å; L99-L112 HydrophobicContact CD2-CD2 4.08Å; L99-F156 HydrophobicContact CB-CE1 4.27Å; L99-F156 HydrophobicContact CB-CZ 4.19Å; L99-F156 HydrophobicContact CD1-CE1 3.94Å
100L81.3Confident77.5Confident28 Ų2852.9 Ų52.915%0.14726%0.261CS..Hα-helixtrans-63.5-41.9172.9-72.5168.4000111.5R96 R97 L102 V103 Y104 E152 I155 F156R96-L100 WeakPolarHBondContact O-CB 3.38Å; R96-L100 VanDerWaalsContact O-CG 3.3Å; R96-L100 WeakPolarHBondContact O-CG 3.43Å; R96-L100 PolarHBondContact O-N 3.02Å; R97-L100 PolarHBondContact O-N 3.39Å; L100-L102 VanDerWaalsContact C-N 3.28Å; L100-L102 PolarHBondContact O-N 3.47Å; L100-V103 PolarHBondContact O-N 2.94Å; L100-Y104 HydrophobicContact CB-CD2 4.45Å; L100-Y104 HydrophobicContact CD2-CD2 4.48Å; L100-Y104 HydrophobicContact CD2-CE2 3.98Å; L100-Y104 VanDerWaalsContact O-CD2 3.26Å; L100-Y104 WeakPolarHBondContact O-CD2 3.19Å; L100-Y104 PolarHBondContact O-N 2.85Å; L100-E152 HydrophobicContact CD1-CG 4.27Å; L100-E152 HydrophobicContact CD2-CG 3.91Å; L100-I155 HydrophobicContact CD2-CD1 3.77Å; L100-F156 HydrophobicContact CD1-CE2 4.13Å; L100-F156 HydrophobicContact CD2-CE2 3.91Å; L100-F156 HydrophobicContact CD2-CZ 4.45Å; L100-F156 HydrophobicContact CG-CE2 3.84Å; L100-F156 HydrophobicContact CG-CZ 4.09Å
101R79.8Confident78.2Confident92 Ų9249.5 Ų49.535%0.34724%0.238SC..Hα-helixtrans-59.4-40.1174.9-74.5178.171-161.9-0.1112.1R97 L98 N105 N106 S107 E115R97-R101 WeakPolarHBondContact O-CG 3.32Å; R97-R101 PolarHBondContact O-N 3.46Å; L98-R101 PolarHBondContact O-N 2.96Å; R101-N105 PolarHBondContact O-N 3.45Å; R101-N106 HydrophobicContact CB-CB 4.34Å; R101-N106 CarbonylContact O-C 3.58Å; R101-N106 WeakPolarHBondContact O-CA 3.26Å; R101-N106 PolarHBondContact O-N 3.07Å; R101-S107 PolarHBondContact O-N 3.18Å; R101-E115 IonicContact CZ-OE1 2.76Å; R101-E115 IonicContact NH1-OE1 3.13Å; R101-E115 PolarHBondContact NH1-OE1 3.28Å; R101-E115 IonicContact NH1-OE2 2.74Å
102L83Confident78.7Confident2 Ų246.2 Ų46.21%0.0122%0.224CC..Hα-helixtrans-62.3-47.8175.5-174.973.1000111.4F77 L98 L99 L100 N105 P109 L112 L132 I136F77-L102 HydrophobicContact CE1-CD2 4.31Å; F77-L102 HydrophobicContact CZ-CD2 4Å; L98-L102 PolarHBondContact O-N 2.93Å; L99-L102 WeakPolarHBondContact O-CB 3.22Å; L99-L102 PolarHBondContact O-N 3.49Å; L100-L102 VanDerWaalsContact C-N 3.28Å; L100-L102 PolarHBondContact O-N 3.47Å; L102-N105 PolarHBondContact O-N 3.38Å; L102-P109 HydrophobicContact CD1-CB 4.45Å; L102-P109 HydrophobicContact CD1-CG 4.09Å; L102-L112 HydrophobicContact CB-CD2 4.36Å; L102-L112 HydrophobicContact CD1-CB 4.2Å; L102-L112 HydrophobicContact CD1-CD2 4.19Å; L102-L112 HydrophobicContact CD2-CD2 3.4Å; L102-L112 HydrophobicContact CG-CD2 4.17Å; L102-L132 HydrophobicContact CD2-CD2 4.23Å; L102-I136 HydrophobicContact CD1-CD1 3.6Å; L102-I136 HydrophobicContact CD2-CD1 3.39Å; L102-I136 HydrophobicContact CD2-CG1 3.88Å; L102-I136 HydrophobicContact CG-CD1 3.48Å; L102-I136 VanDerWaalsContact CG-CD1 3.48Å; L102-I136 HydrophobicContact CG-CG1 4.14Å
103V82.4Confident79.2Confident2 Ų248.1 Ų48.11%0.01223%0.232CC..Hα-helixtrans-68-40.7-177.2175.80000111.7F77 L99 L100 N105 L139 Q140 I143 I155F77-V103 HydrophobicContact CE2-CG2 3.64Å; F77-V103 HydrophobicContact CZ-CG2 4.13Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 3.04Å; L100-V103 PolarHBondContact O-N 2.94Å; V103-N105 PolarHBondContact O-N 3.28Å; V103-N105 VanDerWaalsContact O-N 3.15Å; V103-L139 HydrophobicContact CG1-CD2 4.43Å; V103-L139 HydrophobicContact CG1-CG 4.41Å; V103-L139 HydrophobicContact CG2-CD2 3.66Å; V103-L139 HydrophobicContact CG2-CG 4.47Å; V103-Q140 WeakPolarHBondContact O-CG 3.28Å; V103-Q140 PolarHBondContact O-NE2 2.8Å; V103-I143 HydrophobicContact CG1-CD1 3.31Å; V103-I143 HydrophobicContact CG1-CG1 4.06Å; V103-I155 HydrophobicContact CB-CD1 4.21Å; V103-I155 HydrophobicContact CG1-CD1 3.81Å; V103-I155 HydrophobicContact CG1-CG1 4.43Å; V103-I155 HydrophobicContact CG2-CD1 4.28Å
104Y77.2Confident79.7Confident85 Ų8551.4 Ų51.433%0.33324%0.242SC..THydrogen-bonded Turntrans-80.616.8177.3-72.6-74.3000114.2L100 N106 I143 L148 A151L100-Y104 HydrophobicContact CB-CD2 4.45Å; L100-Y104 HydrophobicContact CD2-CD2 4.48Å; L100-Y104 HydrophobicContact CD2-CE2 3.98Å; L100-Y104 VanDerWaalsContact O-CD2 3.26Å; L100-Y104 WeakPolarHBondContact O-CD2 3.19Å; L100-Y104 PolarHBondContact O-N 2.85Å; Y104-N106 PolarHBondContact O-N 3.12Å; Y104-N106 VanDerWaalsContact O-N 3.16Å; Y104-I143 HydrophobicContact CD1-CD1 4.39Å; Y104-I143 HydrophobicContact CE1-CD1 3.95Å; Y104-L148 HydrophobicContact CE2-CD1 3.76Å; Y104-L148 WeakPolarHBondContact OH-CD1 3.49Å; Y104-A151 WeakPolarHBondContact OH-CB 3.19Å
105N71.3Confident79.9Confident127 Ų12750.4 Ų50.468%0.67924%0.236SC*.THydrogen-bonded Turntrans58.824.9177.6-156.333.6000114.7R101 L102 V103R101-N105 PolarHBondContact O-N 3.45Å; L102-N105 PolarHBondContact O-N 3.38Å; V103-N105 PolarHBondContact O-N 3.28Å; V103-N105 VanDerWaalsContact O-N 3.15Å
106N67.6Low79.8Confident112 Ų11250.3 Ų50.360%0.59924%0.235SC*.SBendtrans-94.54.8177.3-69.2-38.7000112.5R101 Y104R101-N106 HydrophobicContact CB-CB 4.34Å; R101-N106 CarbonylContact O-C 3.58Å; R101-N106 WeakPolarHBondContact O-CA 3.26Å; R101-N106 PolarHBondContact O-N 3.07Å; Y104-N106 PolarHBondContact O-N 3.12Å; Y104-N106 VanDerWaalsContact O-N 3.16Å
107S78Confident79.6Confident14 Ų1452.1 Ų52.110%0.09825%0.246CC..SBendtrans-157.2146.7178.3-170.10000109.6R101 A111R101-S107 PolarHBondContact O-N 3.18Å; S107-A111 VanDerWaalsContact OG-CB 3.28Å; S107-A111 WeakPolarHBondContact OG-CB 3.26Å
108T81.6Confident79.5Confident71 Ų7154.8 Ų54.844%0.43626%0.263SS..  trans-87.2157.9172.574.30000110.6E110 A111 L112T108-E110 VanDerWaalsContact CB-OE2 3.23Å; T108-E110 WeakPolarHBondContact CB-OE2 3.39Å; T108-E110 PolarHBondContact O-N 3.36Å; T108-E110 VanDerWaalsContact O-N 3.17Å; T108-E110 PolarHBondContact OG1-OE2 3.49Å; T108-A111 WeakPolarHBondContact O-CB 3.45Å; T108-A111 PolarHBondContact O-N 3.28Å; T108-A111 PolarHBondContact OG1-N 2.9Å; T108-A111 VanDerWaalsContact OG1-N 3.17Å; T108-L112 PolarHBondContact O-N 2.84Å
109P80.8Confident78.9Confident20 Ų2056.1 Ų56.113%0.1327%0.272CS..Hα-helixtrans-54.2-32.8173.4-27.937.2000113.4L102 H113 L129 L132 K133 I136L102-P109 HydrophobicContact CD1-CB 4.45Å; L102-P109 HydrophobicContact CD1-CG 4.09Å; P109-H113 WeakPolarHBondContact O-CB 3.31Å; P109-H113 PolarHBondContact O-N 3Å; P109-L129 VanDerWaalsContact C-CD1 3.48Å; P109-L129 HydrophobicContact CB-CD1 3.72Å; P109-L129 VanDerWaalsContact O-CD1 3.28Å; P109-L129 WeakPolarHBondContact O-CD1 3.25Å; P109-L132 HydrophobicContact CB-CB 4.27Å; P109-K133 HydrophobicContact CB-CG 4.06Å; P109-K133 HydrophobicContact CG-CG 3.78Å; P109-I136 HydrophobicContact CG-CD1 3.71Å
110E83.2Confident78.1Confident68 Ų6856.6 Ų56.632%0.31828%0.275SS..Hα-helixtrans-70.6-38.1174.9-59.583.1176.300112.6T108 H113 R114 L129 K133T108-E110 VanDerWaalsContact CB-OE2 3.23Å; T108-E110 WeakPolarHBondContact CB-OE2 3.39Å; T108-E110 PolarHBondContact O-N 3.36Å; T108-E110 VanDerWaalsContact O-N 3.17Å; T108-E110 PolarHBondContact OG1-OE2 3.49Å; E110-H113 PolarHBondContact O-N 2.82Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 2.85Å; E110-L129 HydrophobicContact CG-CD2 4.46Å; E110-K133 WeakPolarHBondContact OE1-CE 3.26Å; E110-K133 IonicContact OE1-NZ 2.73Å; E110-K133 PolarHBondContact OE1-NZ 3.45Å
111A81.9Confident77.6Confident21 Ų2161.8 Ų61.817%0.17430%0.303CS..Hα-helixtrans-65.9-44.2173.800000110.4S107 T108 H113 R114 E115S107-A111 VanDerWaalsContact OG-CB 3.28Å; S107-A111 WeakPolarHBondContact OG-CB 3.26Å; T108-A111 WeakPolarHBondContact O-CB 3.45Å; T108-A111 PolarHBondContact O-N 3.28Å; T108-A111 PolarHBondContact OG1-N 2.9Å; T108-A111 VanDerWaalsContact OG1-N 3.17Å; A111-H113 VanDerWaalsContact C-N 3.34Å; A111-H113 PolarHBondContact O-N 3.14Å; A111-R114 PolarHBondContact O-N 3.43Å; A111-E115 WeakPolarHBondContact O-CG 3.12Å; A111-E115 PolarHBondContact O-N 2.93Å
112L83.2Confident77Confident0 Ų058.2 Ų58.20%029%0.291CS..Hα-helixtrans-57.6-45.7171.9177.968.5000111.4L98 L99 L102 T108 R114 E115 L116 L132L98-L112 HydrophobicContact CB-CD1 3.66Å; L98-L112 HydrophobicContact CD1-CD1 4.42Å; L99-L112 HydrophobicContact CD2-CD1 4.46Å; L99-L112 HydrophobicContact CD2-CD2 4.08Å; L102-L112 HydrophobicContact CB-CD2 4.36Å; L102-L112 HydrophobicContact CD1-CB 4.2Å; L102-L112 HydrophobicContact CD1-CD2 4.19Å; L102-L112 HydrophobicContact CD2-CD2 3.4Å; L102-L112 HydrophobicContact CG-CD2 4.17Å; T108-L112 PolarHBondContact O-N 2.84Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.24Å; L112-E115 PolarHBondContact O-N 2.84Å; L112-L116 HydrophobicContact CD1-CD1 3.85Å; L112-L116 HydrophobicContact CD1-CD2 4.35Å; L112-L116 HydrophobicContact CD1-CG 3.84Å; L112-L116 HydrophobicContact CD2-CD1 4.14Å; L112-L116 HydrophobicContact CG-CD1 3.65Å; L112-L116 HydrophobicContact CG-CG 4.03Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.76Å; L112-L132 HydrophobicContact CD2-CD1 4.23Å
113H81.4Confident76.2Confident47 Ų4763 Ų6322%0.21832%0.321CS..Hα-helixtrans-57.3-45.9178.2-179.186.8000112.2P109 E110 A111 L116 Q117 I124 L129P109-H113 WeakPolarHBondContact O-CB 3.31Å; P109-H113 PolarHBondContact O-N 3Å; E110-H113 PolarHBondContact O-N 2.82Å; A111-H113 VanDerWaalsContact C-N 3.34Å; A111-H113 PolarHBondContact O-N 3.14Å; H113-L116 PolarHBondContact O-N 3.21Å; H113-Q117 WeakPolarHBondContact O-CB 3.48Å; H113-Q117 PolarHBondContact O-N 3.14Å; H113-I124 PolarHBondContact CE1-O 3.45Å; H113-I124 VanDerWaalsContact CE1-O 3.26Å; H113-L129 HydrophobicContact CB-CD1 4.12Å
114R79.5Confident75.6Confident155 Ų15563.4 Ų63.459%0.58532%0.324SS*.Hα-helixtrans-63.7-45.8176.6-72.3-174.9-69.8-1690.6112.1E110 A111 L112 L116 Q117 Q118E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 2.85Å; A111-R114 PolarHBondContact O-N 3.43Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.24Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-L116 PolarHBondContact O-N 3.31Å; R114-Q117 PolarHBondContact O-N 2.91Å; R114-Q118 VanDerWaalsContact O-CG 3.3Å; R114-Q118 WeakPolarHBondContact O-CG 3.49Å; R114-Q118 PolarHBondContact O-N 3.48Å
115E79.4Confident75.4Confident44 Ų4464.1 Ų64.121%0.20633%0.33CS..Hα-helixtrans-64.7-38.7178-71.4176156.700111.1L98 R101 A111 L112 Q118 C119L98-E115 HydrophobicContact CD1-CB 3.83Å; L98-E115 HydrophobicContact CD2-CB 4.27Å; L98-E115 WeakPolarHBondContact CD2-OE2 3.44Å; R101-E115 IonicContact CZ-OE1 2.76Å; R101-E115 IonicContact NH1-OE1 3.13Å; R101-E115 PolarHBondContact NH1-OE1 3.28Å; R101-E115 IonicContact NH1-OE2 2.74Å; A111-E115 WeakPolarHBondContact O-CG 3.12Å; A111-E115 PolarHBondContact O-N 2.93Å; L112-E115 PolarHBondContact O-N 2.84Å; E115-Q118 PolarHBondContact O-N 2.87Å; E115-C119 VanDerWaalsContact O-CB 3.3Å; E115-C119 WeakPolarHBondContact O-CB 3.49Å; E115-C119 PolarHBondContact O-N 2.93Å; E115-C119 PolarHBondContact O-SG 3.04Å
116L79Confident75.4Confident0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-65.9-40.3176.7-74.2-179.8000113L80 M95 L98 L112 H113 R114 Q118 C119 I120 I124L80-L116 HydrophobicContact CD1-CD1 4.43Å; M95-L116 HydrophobicContact CE-CD2 3.09Å; M95-L116 HydrophobicContact CE-CG 4.49Å; M95-L116 HydrophobicContact SD-CD2 3.58Å; M95-L116 VanDerWaalsContact SD-CD2 3.58Å; L98-L116 HydrophobicContact CD1-CD2 4.17Å; L112-L116 HydrophobicContact CD1-CD1 3.85Å; L112-L116 HydrophobicContact CD1-CD2 4.35Å; L112-L116 HydrophobicContact CD1-CG 3.84Å; L112-L116 HydrophobicContact CD2-CD1 4.14Å; L112-L116 HydrophobicContact CG-CD1 3.65Å; L112-L116 HydrophobicContact CG-CG 4.03Å; L112-L116 VanDerWaalsContact O-CB 3.28Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 2.76Å; H113-L116 PolarHBondContact O-N 3.21Å; R114-L116 VanDerWaalsContact C-N 3.35Å; R114-L116 PolarHBondContact O-N 3.31Å; L116-Q118 VanDerWaalsContact C-N 3.3Å; L116-Q118 PolarHBondContact O-N 3.22Å; L116-C119 PolarHBondContact O-N 3.16Å; L116-I120 PolarHBondContact O-N 3.33Å; L116-I124 HydrophobicContact CB-CD1 4.07Å; L116-I124 HydrophobicContact CD1-CD1 3.24Å; L116-I124 HydrophobicContact CD1-CG1 4.43Å; L116-I124 HydrophobicContact CG-CD1 4.26Å
117Q76.9Confident75.6Confident102 Ų10258.2 Ų58.248%0.47730%0.303SS..Hα-helixtrans-62.6-40.3173.6-169.4175.83.700110.9H113 R114 N121H113-Q117 WeakPolarHBondContact O-CB 3.48Å; H113-Q117 PolarHBondContact O-N 3.14Å; R114-Q117 PolarHBondContact O-N 2.91Å; Q117-N121 VanDerWaalsContact O-CA 3.3Å; Q117-N121 WeakPolarHBondContact O-CA 3.42Å; Q117-N121 PolarHBondContact O-N 2.82Å; Q117-N121 PolarHBondContact O-OD1 3.44Å
118Q76.5Confident75.3Confident154 Ų15457.7 Ų57.772%0.7230%0.299SS*.Hα-helixtrans-71.6-38177.9-70.9172.4-3.800113.3R114 E115 L116R114-Q118 VanDerWaalsContact O-CG 3.3Å; R114-Q118 WeakPolarHBondContact O-CG 3.49Å; R114-Q118 PolarHBondContact O-N 3.48Å; E115-Q118 PolarHBondContact O-N 2.87Å; L116-Q118 VanDerWaalsContact C-N 3.3Å; L116-Q118 PolarHBondContact O-N 3.22Å
119C68.1Low75.2Confident34 Ų3455.8 Ų55.823%0.2329%0.286CS..Hα-helixtrans-85.6-36.6-172-66.30000113.9K91 L94 E115 L116K91-C119 WeakPolarHBondContact CE-O 3.27Å; K91-C119 PolarHBondContact NZ-O 3.38Å; L94-C119 HydrophobicContact CD2-CB 3.98Å; L94-C119 WeakPolarHBondContact CD2-SG 3.29Å; E115-C119 VanDerWaalsContact O-CB 3.3Å; E115-C119 WeakPolarHBondContact O-CB 3.49Å; E115-C119 PolarHBondContact O-N 2.93Å; E115-C119 PolarHBondContact O-SG 3.04Å; L116-C119 PolarHBondContact O-N 3.16Å
120I68.1Low74.9Confident10 Ų1059.4 Ų59.45%0.05130%0.301CS..Hα-helixtrans-123.7-5.1-168.4-56-171.4000111.7A84 Q87 M95 L116 L122A84-I120 HydrophobicContact CB-CD1 3.52Å; Q87-I120 VanDerWaalsContact NE2-CG2 3.31Å; Q87-I120 PolarHBondContact NE2-O 3.45Å; M95-I120 HydrophobicContact CE-CD1 3.18Å; M95-I120 HydrophobicContact CE-CG1 4.45Å; L116-I120 PolarHBondContact O-N 3.33Å; I120-L122 HydrophobicContact CB-CB 4.28Å; I120-L122 HydrophobicContact CG2-CB 4.08Å; I120-L122 PolarHBondContact O-N 2.79Å
121N70.2Confident74.7Confident137 Ų13757 Ų5773%0.73329%0.289SS*.  trans52.436.8-169.5-68-25.7000111.5Q117 P123Q117-N121 VanDerWaalsContact O-CA 3.3Å; Q117-N121 WeakPolarHBondContact O-CA 3.42Å; Q117-N121 PolarHBondContact O-N 2.82Å; Q117-N121 PolarHBondContact O-OD1 3.44Å; N121-P123 VanDerWaalsContact O-CD 3.26Å; N121-P123 WeakPolarHBondContact O-CD 3.13Å
122L67.2Low74.7Confident18 Ų1856.1 Ų56.19%0.09428%0.282CS..  trans-100104.6-179.9-171.172.7000109.8L46 L54 L80 L83 I120 I124L46-L122 HydrophobicContact CD1-CD1 4.43Å; L54-L122 HydrophobicContact CD1-CD1 4.21Å; L54-L122 HydrophobicContact CD1-CD2 4.36Å; L54-L122 HydrophobicContact CD2-CD2 4.33Å; L80-L122 HydrophobicContact CD2-CD2 3.62Å; L83-L122 HydrophobicContact CD1-CD2 4.27Å; I120-L122 HydrophobicContact CB-CB 4.28Å; I120-L122 HydrophobicContact CG2-CB 4.08Å; I120-L122 PolarHBondContact O-N 2.79Å; L122-I124 PolarHBondContact O-N 2.81Å
123P67.9Low74.6Confident101 Ų10161 Ų6166%0.65630%0.303SS*.PPolyproline II helixtrans-71.3116.7170.429.2-32.2000108.9N121N121-P123 VanDerWaalsContact O-CD 3.26Å; N121-P123 WeakPolarHBondContact O-CD 3.13Å
124I69.2Low74.5Confident12 Ų1261.5 Ų61.56%0.06232%0.316CS..PPolyproline II helixtrans-86.9135.4173.9-59.4165.4000108.6H113 L116 L122 T128H113-I124 PolarHBondContact CE1-O 3.45Å; H113-I124 VanDerWaalsContact CE1-O 3.26Å; L116-I124 HydrophobicContact CB-CD1 4.07Å; L116-I124 HydrophobicContact CD1-CD1 3.24Å; L116-I124 HydrophobicContact CD1-CG1 4.43Å; L116-I124 HydrophobicContact CG-CD1 4.26Å; L122-I124 PolarHBondContact O-N 2.81Å; I124-T128 VanDerWaalsContact CG2-CB 3.41Å; I124-T128 HydrophobicContact CG2-CG2 3.39Å
125H71.7Confident74.7Confident100 Ų10054.1 Ų54.146%0.46329%0.288SS..PPolyproline II helixtrans-66.5149.2177.3-165.3-97.3000111.6L54 S127 T128 L129L54-H125 WeakPolarHBondContact O-CB 3.01Å; H125-S127 PolarHBondContact ND1-N 2.62Å; H125-S127 PolarHBondContact ND1-OG 3.29Å; H125-S127 PolarHBondContact O-N 3.48Å; H125-T128 WeakPolarHBondContact O-CB 3.38Å; H125-T128 PolarHBondContact O-N 3.17Å; H125-L129 PolarHBondContact O-N 3.14Å
126V72.3Confident74.9Confident97 Ų9752.6 Ų52.659%0.58828%0.281SS*.Hα-helixtrans-56.3-36.8-178.8177.90000112T128 L129 Q130V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.37Å; V126-L129 WeakPolarHBondContact O-CB 3.3Å; V126-L129 PolarHBondContact O-N 3.18Å; V126-L129 VanDerWaalsContact O-N 3.17Å; V126-Q130 PolarHBondContact O-N 2.82Å
127S71.3Confident75Confident18 Ų1855.5 Ų55.513%0.12630%0.3CS..Hα-helixtrans-62.1-34175.958.70000113H125 Q130 F131H125-S127 PolarHBondContact ND1-N 2.62Å; H125-S127 PolarHBondContact ND1-OG 3.29Å; H125-S127 PolarHBondContact O-N 3.48Å; S127-Q130 PolarHBondContact O-N 3.46Å; S127-F131 WeakPolarHBondContact O-CB 3.29Å; S127-F131 PolarHBondContact O-N 3.13Å
128T72.8Confident75.2Confident2 Ų255.1 Ų55.11%0.01230%0.295CS..Hα-helixtrans-72.7-33.7176.7-63.30000111.2L54 L56 L76 I124 H125 V126 F131 L132L54-T128 VanDerWaalsContact C-OG1 3.31Å; L54-T128 PolarHBondContact O-OG1 3.2Å; L56-T128 HydrophobicContact CD1-CG2 4.46Å; L76-T128 HydrophobicContact CD1-CG2 4.49Å; L76-T128 HydrophobicContact CD2-CG2 3.9Å; I124-T128 VanDerWaalsContact CG2-CB 3.41Å; I124-T128 HydrophobicContact CG2-CG2 3.39Å; H125-T128 WeakPolarHBondContact O-CB 3.38Å; H125-T128 PolarHBondContact O-N 3.17Å; V126-T128 VanDerWaalsContact C-N 3.28Å; V126-T128 PolarHBondContact O-N 3.37Å; T128-F131 PolarHBondContact O-N 2.83Å; T128-L132 WeakPolarHBondContact O-CB 3.32Å; T128-L132 VanDerWaalsContact O-CG 3.26Å; T128-L132 WeakPolarHBondContact O-CG 3.13Å; T128-L132 PolarHBondContact O-N 3.5Å
129L77.7Confident75.5Confident31 Ų3147.8 Ų47.816%0.16226%0.26CS..Hα-helixtrans-63.9-43.1171.6-174.271.2000111.5P109 E110 H113 H125 V126 L132 K133P109-L129 VanDerWaalsContact C-CD1 3.48Å; P109-L129 HydrophobicContact CB-CD1 3.72Å; P109-L129 VanDerWaalsContact O-CD1 3.28Å; P109-L129 WeakPolarHBondContact O-CD1 3.25Å; E110-L129 HydrophobicContact CG-CD2 4.46Å; H113-L129 HydrophobicContact CB-CD1 4.12Å; H125-L129 PolarHBondContact O-N 3.14Å; V126-L129 WeakPolarHBondContact O-CB 3.3Å; V126-L129 PolarHBondContact O-N 3.18Å; V126-L129 VanDerWaalsContact O-N 3.17Å; L129-L132 PolarHBondContact O-N 3.41Å; L129-K133 WeakPolarHBondContact O-CG 3.21Å; L129-K133 PolarHBondContact O-N 3Å; L129-K133 VanDerWaalsContact O-N 3.12Å
130Q74.8Confident76.1Confident97 Ų9748.6 Ų48.645%0.45326%0.261SS..Hα-helixtrans-64.5-42.5175-71.1175.1-17.700111.7E60 V126 S127 L132 K133 A134E60-Q130 PolarHBondContact OE1-OE1 2.86Å; V126-Q130 PolarHBondContact O-N 2.82Å; S127-Q130 PolarHBondContact O-N 3.46Å; Q130-L132 PolarHBondContact O-N 3.12Å; Q130-K133 WeakPolarHBondContact O-CB 3.28Å; Q130-K133 PolarHBondContact O-N 2.86Å; Q130-A134 PolarHBondContact O-N 2.88Å; Q130-A134 VanDerWaalsContact O-N 3.07Å
131F79.4Confident76.7Confident16 Ų1654.5 Ų54.57%0.0729%0.292CS..Hα-helixtrans-59.7-45.6174.2174.9-103.2000112L56 L59 I69 K72 L73 L76 S127 T128 K133 A134 A135L56-F131 HydrophobicContact CD1-CB 4.13Å; L56-F131 HydrophobicContact CD1-CD1 3.35Å; L56-F131 HydrophobicContact CD1-CD2 4.41Å; L56-F131 HydrophobicContact CD1-CE1 3.79Å; L56-F131 HydrophobicContact CD1-CG 3.69Å; L56-F131 HydrophobicContact CD1-CZ 4.48Å; L59-F131 HydrophobicContact CD1-CD2 3.62Å; L59-F131 HydrophobicContact CD1-CE2 3.52Å; L59-F131 HydrophobicContact CD1-CG 4.46Å; L59-F131 HydrophobicContact CD1-CZ 4.32Å; L59-F131 HydrophobicContact CD2-CE2 4.29Å; L59-F131 HydrophobicContact CG-CD2 4.49Å; L59-F131 HydrophobicContact CG-CE2 4.45Å; I69-F131 HydrophobicContact CG2-CE2 4.13Å; I69-F131 HydrophobicContact CG2-CZ 4.42Å; K72-F131 HydrophobicContact CB-CZ 3.9Å; L73-F131 HydrophobicContact CB-CE1 4.17Å; L73-F131 HydrophobicContact CB-CZ 4.27Å; L73-F131 HydrophobicContact CD1-CE1 4.07Å; L76-F131 HydrophobicContact CD2-CD1 4.28Å; L76-F131 HydrophobicContact CD2-CE1 4.36Å; S127-F131 WeakPolarHBondContact O-CB 3.29Å; S127-F131 PolarHBondContact O-N 3.13Å; T128-F131 PolarHBondContact O-N 2.83Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 3.16Å; F131-A134 PolarHBondContact O-N 3.15Å; F131-A134 VanDerWaalsContact O-N 3.15Å; F131-A135 HydrophobicContact CD1-CB 4.35Å; F131-A135 HydrophobicContact CD2-CB 4.39Å; F131-A135 HydrophobicContact CE1-CB 3.96Å; F131-A135 HydrophobicContact CE2-CB 4Å; F131-A135 HydrophobicContact CZ-CB 3.77Å; F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 3.29Å
132L81.9Confident77.1Confident4 Ų451.1 Ų51.12%0.02127%0.272CS..Hα-helixtrans-56.4-48.5176.5-75.5172.1000110.9L73 L76 F77 L102 P109 L112 T128 L129 Q130 A134 A135 I136L73-L132 HydrophobicContact CD1-CD2 3.61Å; L76-L132 HydrophobicContact CD2-CD2 3.98Å; L76-L132 HydrophobicContact CD2-CG 4.46Å; F77-L132 HydrophobicContact CE1-CD2 3.96Å; L102-L132 HydrophobicContact CD2-CD2 4.23Å; P109-L132 HydrophobicContact CB-CB 4.27Å; L112-L132 HydrophobicContact CD2-CD1 4.23Å; T128-L132 WeakPolarHBondContact O-CB 3.32Å; T128-L132 VanDerWaalsContact O-CG 3.26Å; T128-L132 WeakPolarHBondContact O-CG 3.13Å; T128-L132 PolarHBondContact O-N 3.5Å; L129-L132 PolarHBondContact O-N 3.41Å; Q130-L132 PolarHBondContact O-N 3.12Å; L132-A134 VanDerWaalsContact C-N 3.28Å; L132-A134 PolarHBondContact O-N 3.39Å; L132-A135 PolarHBondContact O-N 2.82Å; L132-I136 HydrophobicContact CB-CD1 4.08Å; L132-I136 WeakPolarHBondContact O-CB 3.39Å; L132-I136 WeakPolarHBondContact O-CD1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.35Å; L132-I136 PolarHBondContact O-N 2.9Å
133K81.7Confident77.6Confident101 Ų10150.8 Ų50.844%0.43927%0.27SS..Hα-helixtrans-56.1-41.6176.8-72.5175.4178-167.60112.9P109 E110 L129 Q130 F131 P137P109-K133 HydrophobicContact CB-CG 4.06Å; P109-K133 HydrophobicContact CG-CG 3.78Å; E110-K133 WeakPolarHBondContact OE1-CE 3.26Å; E110-K133 IonicContact OE1-NZ 2.73Å; E110-K133 PolarHBondContact OE1-NZ 3.45Å; L129-K133 WeakPolarHBondContact O-CG 3.21Å; L129-K133 PolarHBondContact O-N 3Å; L129-K133 VanDerWaalsContact O-N 3.12Å; Q130-K133 WeakPolarHBondContact O-CB 3.28Å; Q130-K133 PolarHBondContact O-N 2.86Å; F131-K133 VanDerWaalsContact C-N 3.34Å; F131-K133 PolarHBondContact O-N 3.16Å; K133-P137 WeakPolarHBondContact O-CD 3.48Å
134A79Confident78Confident58 Ų5850.7 Ų50.748%0.47927%0.27SS..Hα-helixtrans-75.6-36.1179.600000113Q130 F131 L132 Y138Q130-A134 PolarHBondContact O-N 2.88Å; Q130-A134 VanDerWaalsContact O-N 3.07Å; F131-A134 PolarHBondContact O-N 3.15Å; F131-A134 VanDerWaalsContact O-N 3.15Å; L132-A134 VanDerWaalsContact C-N 3.28Å; L132-A134 PolarHBondContact O-N 3.39Å; A134-Y138 WeakPolarHBondContact O-CD2 3.16Å; A134-Y138 VanDerWaalsContact O-CE2 3.23Å; A134-Y138 WeakPolarHBondContact O-CE2 3.4Å
135A83.2Confident77.9Confident0 Ų054 Ų540%031%0.308CS..Hα-helixtrans-87.2-33.7-170.200000113.9I69 L73 F131 L132 Y138 L139I69-A135 HydrophobicContact CG2-CB 3.51Å; L73-A135 HydrophobicContact CB-CB 4.17Å; L73-A135 HydrophobicContact CD1-CB 4.24Å; L73-A135 HydrophobicContact CD2-CB 3.9Å; L73-A135 HydrophobicContact CG-CB 4.34Å; F131-A135 HydrophobicContact CD1-CB 4.35Å; F131-A135 HydrophobicContact CD2-CB 4.39Å; F131-A135 HydrophobicContact CE1-CB 3.96Å; F131-A135 HydrophobicContact CE2-CB 4Å; F131-A135 HydrophobicContact CZ-CB 3.77Å; F131-A135 WeakPolarHBondContact O-CB 3.47Å; F131-A135 PolarHBondContact O-N 3.29Å; L132-A135 PolarHBondContact O-N 2.82Å; A135-Y138 WeakPolarHBondContact O-CB 3.46Å; A135-Y138 PolarHBondContact O-N 3.23Å; A135-Y138 VanDerWaalsContact O-N 3.14Å; A135-L139 PolarHBondContact O-N 3.14Å
136I83.9Confident77.8Confident12 Ų1253.2 Ų53.26%0.06230%0.303CS..Hα-helixtrans-55.9-44.8-176.5-71.3157.9000112.8L102 P109 L132 Y138 L139 Q140L102-I136 HydrophobicContact CD1-CD1 3.6Å; L102-I136 HydrophobicContact CD2-CD1 3.39Å; L102-I136 HydrophobicContact CD2-CG1 3.88Å; L102-I136 HydrophobicContact CG-CD1 3.48Å; L102-I136 VanDerWaalsContact CG-CD1 3.48Å; L102-I136 HydrophobicContact CG-CG1 4.14Å; P109-I136 HydrophobicContact CG-CD1 3.71Å; L132-I136 HydrophobicContact CB-CD1 4.08Å; L132-I136 WeakPolarHBondContact O-CB 3.39Å; L132-I136 WeakPolarHBondContact O-CD1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.35Å; L132-I136 PolarHBondContact O-N 2.9Å; I136-Y138 PolarHBondContact O-N 3.01Å; I136-L139 PolarHBondContact O-N 3.22Å; I136-L139 VanDerWaalsContact O-N 3.09Å; I136-Q140 HydrophobicContact CG2-CG 4.01Å; I136-Q140 WeakPolarHBondContact O-CG 3.35Å; I136-Q140 PolarHBondContact O-N 3.09Å
137P82Confident77.5Confident62 Ų6251.6 Ų51.640%0.40330%0.295SS..Hα-helixtrans-57.1-36178.8-27.236.3000113.3K133 Q140 L141K133-P137 WeakPolarHBondContact O-CD 3.48Å; P137-Q140 PolarHBondContact O-N 2.88Å; P137-L141 VanDerWaalsContact O-CG 3.32Å; P137-L141 WeakPolarHBondContact O-CG 3.23Å; P137-L141 PolarHBondContact O-N 2.74Å
138Y81Confident77Confident93 Ų9355.4 Ų55.437%0.36531%0.313SS..Hα-helixtrans-68.3-39.6177.3-62.7-75.3000112.3P66 I69 A134 A135 I136 L141 E142P66-Y138 HydrophobicContact CB-CD1 3.77Å; P66-Y138 HydrophobicContact CB-CE1 3.91Å; P66-Y138 HydrophobicContact CG-CD1 4.46Å; P66-Y138 HydrophobicContact CG-CE1 4.12Å; I69-Y138 HydrophobicContact CD1-CD2 4.4Å; I69-Y138 HydrophobicContact CD1-CE2 3.97Å; I69-Y138 HydrophobicContact CG2-CD2 4.04Å; I69-Y138 HydrophobicContact CG2-CE2 4.5Å; A134-Y138 WeakPolarHBondContact O-CD2 3.16Å; A134-Y138 VanDerWaalsContact O-CE2 3.23Å; A134-Y138 WeakPolarHBondContact O-CE2 3.4Å; A135-Y138 WeakPolarHBondContact O-CB 3.46Å; A135-Y138 PolarHBondContact O-N 3.23Å; A135-Y138 VanDerWaalsContact O-N 3.14Å; I136-Y138 PolarHBondContact O-N 3.01Å; Y138-L141 PolarHBondContact O-N 2.73Å; Y138-E142 PolarHBondContact O-N 2.94Å
139L81.8Confident76.6Confident0 Ų061.2 Ų61.20%034%0.34CS..Hα-helixtrans-69.5-38.4175.8179.162.7000111.6V70 L73 K74 F77 V103 A135 I136 L141 E142 I143 I154 I155V70-L139 HydrophobicContact CG1-CB 4.36Å; V70-L139 HydrophobicContact CG1-CD1 3.83Å; L73-L139 HydrophobicContact CD2-CB 3.75Å; L73-L139 HydrophobicContact CD2-CD2 3.61Å; L73-L139 HydrophobicContact CD2-CG 4.32Å; L73-L139 HydrophobicContact CG-CD2 4.28Å; K74-L139 HydrophobicContact CG-CD1 4.46Å; F77-L139 HydrophobicContact CD2-CD2 4.36Å; F77-L139 HydrophobicContact CE2-CD2 3.67Å; F77-L139 HydrophobicContact CZ-CD2 4.38Å; V103-L139 HydrophobicContact CG1-CD2 4.43Å; V103-L139 HydrophobicContact CG1-CG 4.41Å; V103-L139 HydrophobicContact CG2-CD2 3.66Å; V103-L139 HydrophobicContact CG2-CG 4.47Å; A135-L139 PolarHBondContact O-N 3.14Å; I136-L139 PolarHBondContact O-N 3.22Å; I136-L139 VanDerWaalsContact O-N 3.09Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.3Å; L139-E142 PolarHBondContact O-N 3.34Å; L139-E142 VanDerWaalsContact O-N 3.12Å; L139-I143 HydrophobicContact CD1-CG2 4.4Å; L139-I143 WeakPolarHBondContact O-CG1 3.48Å; L139-I143 PolarHBondContact O-N 3.09Å; L139-I154 HydrophobicContact CD1-CG2 4.43Å; L139-I155 HydrophobicContact CD1-CG1 4.38Å; L139-I155 HydrophobicContact CD2-CG1 4.36Å
140Q81.1Confident76Confident52 Ų5263.1 Ų63.124%0.24335%0.35CS..Hα-helixtrans-59-42.4173.7-77.4175.1-21.500111.9V103 I136 P137 E142 I143 C144V103-Q140 WeakPolarHBondContact O-CG 3.28Å; V103-Q140 PolarHBondContact O-NE2 2.8Å; I136-Q140 HydrophobicContact CG2-CG 4.01Å; I136-Q140 WeakPolarHBondContact O-CG 3.35Å; I136-Q140 PolarHBondContact O-N 3.09Å; P137-Q140 PolarHBondContact O-N 2.88Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 3Å; Q140-I143 WeakPolarHBondContact O-CG1 3.21Å; Q140-I143 PolarHBondContact O-N 3.02Å; Q140-C144 WeakPolarHBondContact O-CB 3.34Å; Q140-C144 PolarHBondContact O-N 3.06Å
141L81.4Confident75.7Confident133 Ų13358.5 Ų58.570%0.69633%0.328SS*.Hα-helixtrans-62.2-38.1173.6-73.2166.5000112.1P137 Y138 L139P137-L141 VanDerWaalsContact O-CG 3.32Å; P137-L141 WeakPolarHBondContact O-CG 3.23Å; P137-L141 PolarHBondContact O-N 2.74Å; Y138-L141 PolarHBondContact O-N 2.73Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.3Å
142E77.9Confident75.2Confident67 Ų6760.4 Ų60.431%0.31334%0.337SS..Hα-helixtrans-69.8-32.3179.3-165.4-172.8160.700113.2V70 K74 Y138 L139 Q140 K146 I154V70-E142 WeakPolarHBondContact CG1-OE2 3.35Å; K74-E142 WeakPolarHBondContact CE-OE2 3.33Å; K74-E142 IonicContact NZ-OE1 3.81Å; K74-E142 PolarHBondContact NZ-OE1 3.11Å; K74-E142 IonicContact NZ-OE2 2.84Å; K74-E142 PolarHBondContact NZ-OE2 2.8Å; Y138-E142 PolarHBondContact O-N 2.94Å; L139-E142 PolarHBondContact O-N 3.34Å; L139-E142 VanDerWaalsContact O-N 3.12Å; Q140-E142 VanDerWaalsContact C-N 3.32Å; Q140-E142 PolarHBondContact O-N 3Å; E142-K146 WeakPolarHBondContact O-CD 3.33Å; E142-K146 WeakPolarHBondContact O-CE 3.12Å; E142-K146 PolarHBondContact O-NZ 3.42Å; E142-I154 HydrophobicContact CG-CG2 4.43Å; E142-I154 WeakPolarHBondContact OE1-CG2 3.43Å
143I77.8Confident74.6Confident10 Ų1064 Ų645%0.05136%0.362CS..Hα-helixtrans-93.3-12.118064.6144000113.7V103 Y104 L139 Q140 G145 K146 A151 I154 I155V103-I143 HydrophobicContact CG1-CD1 3.31Å; V103-I143 HydrophobicContact CG1-CG1 4.06Å; Y104-I143 HydrophobicContact CD1-CD1 4.39Å; Y104-I143 HydrophobicContact CE1-CD1 3.95Å; L139-I143 HydrophobicContact CD1-CG2 4.4Å; L139-I143 WeakPolarHBondContact O-CG1 3.48Å; L139-I143 PolarHBondContact O-N 3.09Å; Q140-I143 WeakPolarHBondContact O-CG1 3.21Å; Q140-I143 PolarHBondContact O-N 3.02Å; I143-G145 PolarHBondContact O-N 2.91Å; I143-K146 WeakPolarHBondContact O-CB 3.3Å; I143-K146 PolarHBondContact O-N 3.1Å; I143-A151 HydrophobicContact CB-CB 4.02Å; I143-A151 HydrophobicContact CG2-CB 4.05Å; I143-I154 HydrophobicContact CG2-CB 4.49Å; I143-I154 HydrophobicContact CG2-CG2 4.19Å; I143-I155 HydrophobicContact CG2-CD1 4.4Å; I143-I155 HydrophobicContact CG2-CG1 4.17Å
144C75.5Confident74.2Confident99 Ų9960.3 Ų60.367%0.66935%0.347SS*.THydrogen-bonded Turntrans-56.4128.8-178.3-169.80000110.6Q140 K146Q140-C144 WeakPolarHBondContact O-CB 3.34Å; Q140-C144 PolarHBondContact O-N 3.06Å; C144-K146 PolarHBondContact O-N 2.93Å
145G68.3Low74Confident83 Ų8357.5 Ų57.586%0.85632%0.324SS*.THydrogen-bonded Turntrans75.4-0.7-178.300000115.7I143I143-G145 PolarHBondContact O-N 2.91Å
146K69Low73.6Confident83 Ų8358.4 Ų58.436%0.36133%0.328SS..  trans-88143.4175.7-62.8-176178.7161.50111E142 I143 C144 I150 I154E142-K146 WeakPolarHBondContact O-CD 3.33Å; E142-K146 WeakPolarHBondContact O-CE 3.12Å; E142-K146 PolarHBondContact O-NZ 3.42Å; I143-K146 WeakPolarHBondContact O-CB 3.3Å; I143-K146 PolarHBondContact O-N 3.1Å; C144-K146 PolarHBondContact O-N 2.93Å; K146-I150 HydrophobicContact CB-CB 4.44Å; K146-I150 HydrophobicContact CB-CG2 4.3Å; K146-I150 HydrophobicContact CD-CG2 3.98Å; K146-I154 HydrophobicContact CD-CD1 3.33Å; K146-I154 VanDerWaalsContact NZ-CD1 3.26Å
147P65.5Low72.9Confident63 Ų6360.1 Ų60.141%0.40934%0.341SS..  trans-65.4150.3174.428.9-35.4000110.9H149 I150 A151P147-H149 VanDerWaalsContact C-N 3.27Å; P147-H149 VanDerWaalsContact CG-CE1 3.45Å; P147-H149 WeakPolarHBondContact CG-CE1 3.46Å; P147-H149 PolarHBondContact O-N 2.86Å; P147-H149 VanDerWaalsContact O-N 3.1Å; P147-I150 HydrophobicContact CG-CB 4.09Å; P147-I150 HydrophobicContact CG-CD1 3.51Å; P147-I150 HydrophobicContact CG-CG1 3.74Å; P147-I150 PolarHBondContact O-N 2.82Å; P147-A151 PolarHBondContact O-N 2.97Å
148L61.7Low71.8Confident98 Ų9860.5 Ų60.551%0.51334%0.335SS..Hα-helixtrans-50.2-42.2-171.2179.862.3000113.6Y104 I150 A151 E152Y104-L148 HydrophobicContact CE2-CD1 3.76Å; Y104-L148 WeakPolarHBondContact OH-CD1 3.49Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.89Å; L148-A151 PolarHBondContact O-N 3.5Å; L148-E152 HydrophobicContact CD1-CG 4.24Å; L148-E152 HydrophobicContact CG-CG 4.5Å; L148-E152 WeakPolarHBondContact O-CB 3.26Å; L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.37Å
149H64.2Low70.5Confident124 Ų12456.2 Ų56.257%0.57432%0.318SS*.Hα-helixtrans-64.8-35.5179.864.2-85.9000112.9P147 S153P147-H149 VanDerWaalsContact C-N 3.27Å; P147-H149 VanDerWaalsContact CG-CE1 3.45Å; P147-H149 WeakPolarHBondContact CG-CE1 3.46Å; P147-H149 PolarHBondContact O-N 2.86Å; P147-H149 VanDerWaalsContact O-N 3.1Å; H149-S153 WeakPolarHBondContact O-CB 3.35Å; H149-S153 PolarHBondContact O-N 3.41Å; H149-S153 VanDerWaalsContact O-N 3.16Å
150I65.7Low68.4Low71 Ų7162 Ų6236%0.36435%0.349SS..Hα-helixtrans-73.6-42.8175-62.2-177.8000109.7K146 P147 L148 E152 S153 I154K146-I150 HydrophobicContact CB-CB 4.44Å; K146-I150 HydrophobicContact CB-CG2 4.3Å; K146-I150 HydrophobicContact CD-CG2 3.98Å; P147-I150 HydrophobicContact CG-CB 4.09Å; P147-I150 HydrophobicContact CG-CD1 3.51Å; P147-I150 HydrophobicContact CG-CG1 3.74Å; P147-I150 PolarHBondContact O-N 2.82Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.89Å; I150-E152 PolarHBondContact O-N 3.43Å; I150-S153 WeakPolarHBondContact O-CB 3.27Å; I150-S153 PolarHBondContact O-N 3.43Å; I150-I154 HydrophobicContact CG2-CD1 3.82Å; I150-I154 HydrophobicContact CG2-CG1 4.43Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.17Å; I150-I154 PolarHBondContact O-N 3.23Å
151A67.4Low66.3Low0 Ų063.3 Ų63.30%036%0.362CS..Hα-helixtrans-60.3-46.117700000111.8Y104 I143 P147 L148 S153 I154 I155Y104-A151 WeakPolarHBondContact OH-CB 3.19Å; I143-A151 HydrophobicContact CB-CB 4.02Å; I143-A151 HydrophobicContact CG2-CB 4.05Å; P147-A151 PolarHBondContact O-N 2.97Å; L148-A151 PolarHBondContact O-N 3.5Å; A151-S153 VanDerWaalsContact C-N 3.34Å; A151-S153 PolarHBondContact O-N 2.9Å; A151-I154 WeakPolarHBondContact O-CB 3.37Å; A151-I154 PolarHBondContact O-N 2.83Å; A151-I154 VanDerWaalsContact O-N 3.14Å; A151-I155 WeakPolarHBondContact O-CB 3.48Å; A151-I155 WeakPolarHBondContact O-CD1 3.43Å; A151-I155 WeakPolarHBondContact O-CG1 3.36Å; A151-I155 PolarHBondContact O-N 3.45Å
152E68.6Low64.1Low56 Ų5658.2 Ų58.226%0.26234%0.339SS..Hα-helixtrans-58.9-44.1174.3-76.5-175.6166.900112.1L100 L148 I150 I154 I155 F156L100-E152 HydrophobicContact CD1-CG 4.27Å; L100-E152 HydrophobicContact CD2-CG 3.91Å; L148-E152 HydrophobicContact CD1-CG 4.24Å; L148-E152 HydrophobicContact CG-CG 4.5Å; L148-E152 WeakPolarHBondContact O-CB 3.26Å; L148-E152 WeakPolarHBondContact O-CG 3.44Å; L148-E152 PolarHBondContact O-N 3.37Å; I150-E152 PolarHBondContact O-N 3.43Å; E152-I154 VanDerWaalsContact C-N 3.27Å; E152-I154 PolarHBondContact O-N 3.22Å; E152-I155 PolarHBondContact O-N 3.49Å; E152-F156 HydrophobicContact CB-CD2 4.5Å; E152-F156 WeakPolarHBondContact O-CB 3.35Å; E152-F156 WeakPolarHBondContact O-CD2 3.3Å; E152-F156 PolarHBondContact O-N 2.84Å
153S70.8Confident62Low78 Ų7859.6 Ų59.655%0.54535%0.345SS..Hα-helixtrans-61.7-35.6176.3-171.60000112.3H149 I150 A151 S157H149-S153 WeakPolarHBondContact O-CB 3.35Å; H149-S153 PolarHBondContact O-N 3.41Å; H149-S153 VanDerWaalsContact O-N 3.16Å; I150-S153 WeakPolarHBondContact O-CB 3.27Å; I150-S153 PolarHBondContact O-N 3.43Å; A151-S153 VanDerWaalsContact C-N 3.34Å; A151-S153 PolarHBondContact O-N 2.9Å; S153-S157 WeakPolarHBondContact O-CA 3.44Å; S153-S157 VanDerWaalsContact O-CB 3.28Å; S153-S157 WeakPolarHBondContact O-CB 3.28Å; S153-S157 PolarHBondContact O-N 2.88Å
154I73.3Confident59.7Low24 Ų2464.7 Ų64.712%0.12338%0.377CS..Hα-helixtrans-70.3-49.6176.8-70.8164.6000110.5K74 L139 E142 I143 K146 I150 A151 E152 F156 S157K74-I154 WeakPolarHBondContact CD-O 3.34Å; K74-I154 WeakPolarHBondContact CE-O 3.38Å; L139-I154 HydrophobicContact CD1-CG2 4.43Å; E142-I154 HydrophobicContact CG-CG2 4.43Å; E142-I154 WeakPolarHBondContact OE1-CG2 3.43Å; I143-I154 HydrophobicContact CG2-CB 4.49Å; I143-I154 HydrophobicContact CG2-CG2 4.19Å; K146-I154 HydrophobicContact CD-CD1 3.33Å; K146-I154 VanDerWaalsContact NZ-CD1 3.26Å; I150-I154 HydrophobicContact CG2-CD1 3.82Å; I150-I154 HydrophobicContact CG2-CG1 4.43Å; I150-I154 VanDerWaalsContact O-CG1 3.27Å; I150-I154 WeakPolarHBondContact O-CG1 3.17Å; I150-I154 PolarHBondContact O-N 3.23Å; A151-I154 WeakPolarHBondContact O-CB 3.37Å; A151-I154 PolarHBondContact O-N 2.83Å; A151-I154 VanDerWaalsContact O-N 3.14Å; E152-I154 VanDerWaalsContact C-N 3.27Å; E152-I154 PolarHBondContact O-N 3.22Å; I154-F156 PolarHBondContact O-N 3.33Å; I154-S157 PolarHBondContact O-OG 2.85Å
155I73.3Confident57.5Low0 Ų062.8 Ų62.80%037%0.374CS..Hα-helixtrans-62.9-44-176.7-66.1164.1000110.6F77 L100 V103 L139 I143 A151 E152F77-I155 HydrophobicContact CD2-CG2 3.64Å; F77-I155 HydrophobicContact CE2-CG2 4.02Å; L100-I155 HydrophobicContact CD2-CD1 3.77Å; V103-I155 HydrophobicContact CB-CD1 4.21Å; V103-I155 HydrophobicContact CG1-CD1 3.81Å; V103-I155 HydrophobicContact CG1-CG1 4.43Å; V103-I155 HydrophobicContact CG2-CD1 4.28Å; L139-I155 HydrophobicContact CD1-CG1 4.38Å; L139-I155 HydrophobicContact CD2-CG1 4.36Å; I143-I155 HydrophobicContact CG2-CD1 4.4Å; I143-I155 HydrophobicContact CG2-CG1 4.17Å; A151-I155 WeakPolarHBondContact O-CB 3.48Å; A151-I155 WeakPolarHBondContact O-CD1 3.43Å; A151-I155 WeakPolarHBondContact O-CG1 3.36Å; A151-I155 PolarHBondContact O-N 3.45Å; E152-I155 PolarHBondContact O-N 3.49Å
156F76.5Confident55.8Low19 Ų1963.8 Ų63.88%0.08336%0.358CS..THydrogen-bonded Turntrans-103.916.6-175-60-60.9000113.9R96 L99 L100 E152 I154 Y158 A159R96-F156 HydrophobicContact CB-CE1 4.35Å; R96-F156 HydrophobicContact CB-CE2 4.25Å; R96-F156 HydrophobicContact CB-CZ 3.83Å; R96-F156 HydrophobicContact CG-CD1 4.44Å; R96-F156 HydrophobicContact CG-CE1 3.95Å; R96-F156 HydrophobicContact CG-CE2 4.31Å; R96-F156 HydrophobicContact CG-CZ 3.88Å; L99-F156 HydrophobicContact CB-CE1 4.27Å; L99-F156 HydrophobicContact CB-CZ 4.19Å; L99-F156 HydrophobicContact CD1-CE1 3.94Å; L100-F156 HydrophobicContact CD1-CE2 4.13Å; L100-F156 HydrophobicContact CD2-CE2 3.91Å; L100-F156 HydrophobicContact CD2-CZ 4.45Å; L100-F156 HydrophobicContact CG-CE2 3.84Å; L100-F156 HydrophobicContact CG-CZ 4.09Å; E152-F156 HydrophobicContact CB-CD2 4.5Å; E152-F156 WeakPolarHBondContact O-CB 3.35Å; E152-F156 WeakPolarHBondContact O-CD2 3.3Å; E152-F156 PolarHBondContact O-N 2.84Å; I154-F156 PolarHBondContact O-N 3.33Å; F156-Y158 PolarHBondContact O-N 3.4Å; F156-Y158 VanDerWaalsContact O-N 3.16Å; F156-A159 HydrophobicContact CB-CB 3.96Å; F156-A159 HydrophobicContact CD1-CB 4.3Å; F156-A159 WeakPolarHBondContact O-CB 3.5Å; F156-A159 PolarHBondContact O-N 2.76Å
157S67.6Low53.8Low47 Ų4766.6 Ų66.633%0.32937%0.373SS..THydrogen-bonded Turntrans-51.4-36.9174.848.80000112.9S153 I154 P161S153-S157 WeakPolarHBondContact O-CA 3.44Å; S153-S157 VanDerWaalsContact O-CB 3.28Å; S153-S157 WeakPolarHBondContact O-CB 3.28Å; S153-S157 PolarHBondContact O-N 2.88Å; I154-S157 PolarHBondContact O-OG 2.85Å; S157-P161 WeakPolarHBondContact O-CD 3.21Å
158Y58.6Low51.9Low71 Ų7172.7 Ų72.728%0.27839%0.393SS..THydrogen-bonded Turntrans-88.5-4.9176.8-67.9-93.9000114.4D71 K74 F156 P161 R178D71-Y158 VanDerWaalsContact CG-OH 3.27Å; D71-Y158 PolarHBondContact OD1-OH 2.88Å; K74-Y158 HydrophobicContact CB-CD2 3.35Å; K74-Y158 HydrophobicContact CB-CE2 3.73Å; K74-Y158 HydrophobicContact CB-CG 4.31Å; K74-Y158 HydrophobicContact CD-CD2 4.19Å; K74-Y158 HydrophobicContact CD-CE2 3.96Å; K74-Y158 HydrophobicContact CG-CD2 4.38Å; F156-Y158 PolarHBondContact O-N 3.4Å; F156-Y158 VanDerWaalsContact O-N 3.16Å; Y158-P161 WeakPolarHBondContact O-CD 3.49Å; Y158-R178 PolarHBondContact OH-NH2 3.16Å
159A54Low50.1Low2 Ų275.4 Ų75.42%0.01741%0.408CS..Hα-helixtrans-81.6-25.5176.600000112.8C81 F156C81-A159 HydrophobicContact CB-CB 4.37Å; F156-A159 HydrophobicContact CB-CB 3.96Å; F156-A159 HydrophobicContact CD1-CB 4.3Å; F156-A159 WeakPolarHBondContact O-CB 3.5Å; F156-A159 PolarHBondContact O-N 2.76Å
160L38.8Very low48.2Very low122 Ų12276.1 Ų76.164%0.63942%0.415SS*.Hα-helixtrans-66.9-43.6176.1-88.2139.8000113.2A162L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.76Å
161P37.1Very low46.1Very low80 Ų8080.7 Ų80.752%0.51944%0.441SS..Hα-helixtrans-65.8-31.1173.8-19.828.9000114.1S157 Y158 Q163 V164 G165S157-P161 WeakPolarHBondContact O-CD 3.21Å; Y158-P161 WeakPolarHBondContact O-CD 3.49Å; P161-Q163 VanDerWaalsContact C-N 3.31Å; P161-Q163 PolarHBondContact O-N 2.71Å; P161-V164 PolarHBondContact O-N 2.89Å; P161-G165 PolarHBondContact O-N 3.49Å
162A34.5Very low43.9Very low26 Ų2686.6 Ų86.622%0.21547%0.472CS..Hα-helixtrans-74.4-19.2-17400000113.8A82 L160A82-A162 HydrophobicContact CB-CB 3.8Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.76Å
163Q33.6Very low41.7Very low95 Ų9589.4 Ų89.444%0.44450%0.495SS..Hα-helixtrans-83.7-20.9174.2-70.6-174.2-12.100113P161P161-Q163 VanDerWaalsContact C-N 3.31Å; P161-Q163 PolarHBondContact O-N 2.71Å
164V29.6Very low39.6Very low117 Ų11792.6 Ų92.671%0.70951%0.505SS*.Hα-helixtrans-91.7-29.5-179-172.10000111.7P161 I166P161-V164 PolarHBondContact O-N 2.89Å; V164-I166 PolarHBondContact O-N 3.25Å
165G29.6Very low37.2Very low59 Ų5998 Ų9861%0.60854%0.539SS*.SBendtrans-80.7-6.9-174.700000117.3P161P161-G165 PolarHBondContact O-N 3.49Å
166I33.1Very low35Very low104 Ų104104.6 Ų104.653%0.53358%0.579SS.*SBendtrans-108.2-14.6-175.7-52-178.1000111.8V164 K168V164-I166 PolarHBondContact O-N 3.25Å; I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 2.96Å; I166-K168 VanDerWaalsContact O-N 3.1Å
167Q26.5Very low32.5Very low142 Ų142106.3 Ų106.366%0.66460%0.602SS**  trans-8276160.4-71.3-143.714.300109.8N169Q167-N169 PolarHBondContact O-N 3.49Å
168K26.4Very low30.5Very low192 Ų192113.7 Ų113.784%0.83562%0.623SS**THydrogen-bonded Turntrans-62.679.9160-76.7-178174.4-1790108.6I166I166-K168 VanDerWaalsContact C-N 3.27Å; I166-K168 PolarHBondContact O-N 2.96Å; I166-K168 VanDerWaalsContact O-N 3.1Å
169N23Very low29Very low155 Ų155117 Ų11783%0.82965%0.651SS**THydrogen-bonded Turntrans-16917.1163-97.3-18.6000114.6Q167Q167-N169 PolarHBondContact O-N 3.49Å
170L24.1Very low27.7Very low138 Ų138127.9 Ų127.972%0.72369%0.691SS**  trans-132.9101.1173.4-86.3154.4000110.6L172L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.42Å
171N21.2Very low27.2Very low168 Ų168129.7 Ų129.790%0.89870%0.701SS**  trans-5591.9162-75.7-32.2000109.4
172L22.9Very low26.8Very low124 Ų124134.1 Ų134.165%0.64972%0.72SS**  trans-143.9119.5162.7-119.1106.2000109.7L170 L174L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.42Å; L172-L174 HydrophobicContact CD2-CD1 4.25Å; L172-L174 HydrophobicContact CD2-CG 4.32Å; L172-L174 PolarHBondContact O-N 2.98Å
173P22.3Very low26.4Very low115 Ų115138.7 Ų138.775%0.74775%0.751SS**  trans-81.7108.6174.232.4-26.6000107.5
174L25.9Very low26.1Very low145 Ų145143.1 Ų143.176%0.75977%0.771SS**  trans-117.392167.5-74.1173.9000109.7L172 V176L172-L174 HydrophobicContact CD2-CD1 4.25Å; L172-L174 HydrophobicContact CD2-CG 4.32Å; L172-L174 PolarHBondContact O-N 2.98Å; L174-V176 PolarHBondContact O-N 3.34Å
175T22.5Very low25.9Very low136 Ų136143.8 Ų143.883%0.83478%0.778SS**  trans-54.7107.6165.7-22.10000109.3G177T175-G177 PolarHBondContact O-N 3.06Å
176V26.8Very low25.8Very low139 Ų139144.3 Ų144.384%0.84278%0.784SS**  trans-95.986.1161.1-175.60000106.6L174 R178L174-V176 PolarHBondContact O-N 3.34Å; V176-R178 PolarHBondContact O-N 3.35Å
177G24.9Very low25.6Very low56 Ų56149 Ų14958%0.57780%0.803SS**  trans-65.9110.517600000110.7T175 T179T175-G177 PolarHBondContact O-N 3.06Å; G177-T179 PolarHBondContact O-N 3.25Å; G177-T179 VanDerWaalsContact O-N 3.14Å
178R24.7Very low25.6Very low202 Ų202153.5 Ų153.576%0.76281%0.814SS**  trans-69.991.7156.2-79.1178169.1171.9-4.8107.7Y158 V176 R180Y158-R178 PolarHBondContact OH-NH2 3.16Å; V176-R178 PolarHBondContact O-N 3.35Å; R178-R180 PolarHBondContact O-N 3.1Å
179T28Very low25.6Very low140 Ų140148.3 Ų148.386%0.85980%0.802SS**  trans-83.589.3168.339.80000109.5G177G177-T179 PolarHBondContact O-N 3.25Å; G177-T179 VanDerWaalsContact O-N 3.14Å
180R27.3Very low25.8Very low230 Ų230148.8 Ų148.887%0.86880%0.802SS**  trans-64.7131.5156.4-92.4178.1172.9165.4-2.9108.3R178 L182R178-R180 PolarHBondContact O-N 3.1Å; R180-L182 PolarHBondContact O-N 3.05Å
181N26.6Very low26Very low160 Ų160149.2 Ų149.286%0.85681%0.811SS**  trans8.7106.1156.6-80-36.7000116.4
182L28.9Very low26.3Very low173 Ų173148.9 Ų148.991%0.90680%0.804SS**  trans-150.2122.3150.5-96.4140.9000108.3R180 Q184R180-L182 PolarHBondContact O-N 3.05Å; L182-Q184 PolarHBondContact O-N 3.32Å
183S26Very low26.6Very low123 Ų123151.5 Ų151.586%0.8681%0.813SS**  trans-63.4121.7-174.7-36.30000111.8
184Q27.8Very low26.8Very low187 Ų187154.5 Ų154.587%0.87482%0.821SS**  trans-154134.4154.9-110.7174.712.700110.1L182L182-Q184 PolarHBondContact O-N 3.32Å
185P26.6Very low26.9Very low132 Ų132156.5 Ų156.586%0.85783%0.827SS**  trans-86.4132.5-173.133.8-29.8000110.4
186G26.6Very low27.1Very low70 Ų70154.4 Ų154.472%0.72281%0.814SS**  trans120.580.3165.600000113.5
187E28.3Very low27.4Very low201 Ų201153.6 Ų153.694%0.93981%0.812SS**  trans-167.6132.7136.6-108.4165.6-17500109.3
188R26.8Very low27.8Very low238 Ų238156.3 Ų156.390%0.89882%0.817SS**  trans-82.5134-159.4-72.1168.1168.1172-4.6111.8
189S27.1Very low28.1Very low83 Ų83151.7 Ų151.758%0.5881%0.811SS**  trans27.5104.4141-151.90000118.5
190I27.7Very low28Very low164 Ų164152.1 Ų152.184%0.84181%0.805SS**SBendtrans-118.412.6167.7-53.1170.3000110.8
191V26.7Very low28.1Very low147 Ų147144.3 Ų144.389%0.89179%0.79SS**SBendtrans-112.316.6-175.8-171.30000112
192Q27.8Very low28.2Very low162 Ų162140.7 Ų140.776%0.75778%0.775SS**SBendtrans-128.912.8-171.2-138.3168.35.100116
193E29.1Very low28.1Very low179 Ų179138.7 Ų138.784%0.83676%0.763SS**SBendtrans-113.75.2-175-106.4178.9172.400116.3
194L27.4Very low28.1Very low177 Ų177137.3 Ų137.393%0.92775%0.749SS**  trans-99.521.5-179-98.7111.2000115.6
195E27.4Very low28.1Very low188 Ų188132.3 Ų132.388%0.87973%0.731SS**  trans-103.720176.3-73.2-169.5158.200114.6
196T27Very low28.1Very low92 Ų92128.8 Ų128.856%0.56471%0.713SS**  trans-95.7120.9177.338.70000113.2T198T196-T198 PolarHBondContact O-N 3.21Å
197P32.8Very low28.2Very low122 Ų122128.5 Ų128.579%0.79270%0.697SS**THydrogen-bonded Turntrans-73.615.4-173.528.9-34.2000115.3
198T33.3Very low28.1Very low112 Ų112129.2 Ų129.269%0.68769%0.692SS**THydrogen-bonded Turntrans-96.1-6.8-172.1140000114.4T196T196-T198 PolarHBondContact O-N 3.21Å
199V30.7Very low28.3Very low105 Ų105123.8 Ų123.864%0.63668%0.681SS**SBendtrans-90.9-6.3-176-170.10000113.4P202V199-P202 WeakPolarHBondContact O-CD 3.35Å
200M26.9Very low28.3Very low149 Ų149123.2 Ų123.273%0.73468%0.676SS**Hα-helixtrans-83-15.3179.9-82.8-144.7-6300115.8T204M200-T204 PolarHBondContact O-OG1 2.85Å
201A28.3Very low28.3Very low66 Ų66119.2 Ų119.255%0.54566%0.662SS.*Hα-helixtrans-72.7-37.1-178.400000115.4T204 T205A201-T204 PolarHBondContact O-OG1 3.05Å; A201-T205 PolarHBondContact O-OG1 3.05Å
202P29.4Very low28.3Very low85 Ų85116.3 Ų116.355%0.55265%0.645SS**Hα-helixtrans-76.4-25176.118.6-17.8000113.4V199 T205 A206V199-P202 WeakPolarHBondContact O-CD 3.35Å; P202-T205 PolarHBondContact O-N 3.21Å; P202-A206 PolarHBondContact O-N 2.87Å
203M25.9Very low28.7Very low131 Ų131113.2 Ų113.265%0.64563%0.632SS**Hα-helixtrans-67.8-38.2178.8-114.1178.6158.800113.1T205 V207M203-T205 VanDerWaalsContact C-N 3.31Å; M203-T205 PolarHBondContact O-N 3.31Å; M203-V207 VanDerWaalsContact O-CG2 3.24Å; M203-V207 WeakPolarHBondContact O-CG2 3.43Å; M203-V207 PolarHBondContact O-N 3.08Å
204T27.5Very low28.9Very low94 Ų94110.6 Ų110.658%0.57762%0.624SS**Hα-helixtrans-72.5-25.117635.70000112.8M200 A201 R208M200-T204 PolarHBondContact O-OG1 2.85Å; A201-T204 PolarHBondContact O-OG1 3.05Å; T204-R208 PolarHBondContact O-N 3.02Å
205T27.1Very low29.2Very low81 Ų81104 Ų10450%0.49759%0.59SS.*Hα-helixtrans-80-39.1177.5-47.80000111.7A201 P202 M203 R208 N209A201-T205 PolarHBondContact O-OG1 3.05Å; P202-T205 PolarHBondContact O-N 3.21Å; M203-T205 VanDerWaalsContact C-N 3.31Å; M203-T205 PolarHBondContact O-N 3.31Å; T205-R208 PolarHBondContact O-N 3.37Å; T205-N209 PolarHBondContact O-N 3.22Å
206A26.1Very low29.7Very low58 Ų5899.1 Ų99.148%0.47957%0.574SS.*Hα-helixtrans-66.9-34.7174.700000112.7P202 N209P202-A206 PolarHBondContact O-N 2.87Å; A206-N209 PolarHBondContact O-N 3.28Å
207V28.9Very low29.9Very low64 Ų6498.9 Ų98.939%0.38857%0.573SS.*Hα-helixtrans-72.6-29.7176174.70000112.2M203 N209 M236M203-V207 VanDerWaalsContact O-CG2 3.24Å; M203-V207 WeakPolarHBondContact O-CG2 3.43Å; M203-V207 PolarHBondContact O-N 3.08Å; V207-N209 VanDerWaalsContact C-N 3.35Å; V207-M236 WeakPolarHBondContact CG1-O 3.45Å
208R26.9Very low29.9Very low216 Ų21695.2 Ų95.282%0.81555%0.548SS*.Hα-helixtrans-71.1-25.4173.1-94.9-176.3179.5172.61.2114.1T204 T205T204-R208 PolarHBondContact O-N 3.02Å; T205-R208 PolarHBondContact O-N 3.37Å
209N30.1Very low29.9Very low125 Ų12597.4 Ų97.467%0.66855%0.55SS*.THydrogen-bonded Turntrans-90-4.8-178-71.4-14000114.1T205 A206 V207 S211T205-N209 PolarHBondContact O-N 3.22Å; A206-N209 PolarHBondContact O-N 3.28Å; V207-N209 VanDerWaalsContact C-N 3.35Å; N209-S211 PolarHBondContact O-N 2.96Å
210C27.4Very low30.1Very low71 Ų7199.7 Ų99.748%0.4856%0.558SS.*  trans-7849.6169.2-770000111.8
211S27.5Very low30.7Very low79 Ų7997.8 Ų97.855%0.55255%0.546SS*.  trans-75.9128.7168.253.30000109.5N209N209-S211 PolarHBondContact O-N 2.96Å
212T27.4Very low31.3Very low86 Ų8699.5 Ų99.553%0.52855%0.552SS.*  trans95.156.4171.679.30000118.7N214T212-N214 PolarHBondContact O-N 3.12Å
213I35.7Very low32Very low97 Ų97102.5 Ų102.550%0.49755%0.552SS.*  trans-76.699.9146.9-59.7172.1000107.5L215 K232I213-L215 PolarHBondContact O-N 3.29Å; I213-L215 VanDerWaalsContact O-N 3.14Å; I213-K232 HydrophobicContact CB-CD 4.33Å; I213-K232 WeakPolarHBondContact O-CE 3.3Å; I213-K232 PolarHBondContact O-NZ 3.47Å
214N33.1Very low32.9Very low125 Ų12599 Ų9967%0.66854%0.536SS*.  trans-72.7101.3171.5-77.6-30.2000108.7T212T212-N214 PolarHBondContact O-N 3.12Å
215L33.9Very low33.7Very low39 Ų3996.9 Ų96.920%0.20452%0.519CS..  trans-66.6126.9170.5-85.7159.8000108.3I213 V217 L228 C229 K232I213-L215 PolarHBondContact O-N 3.29Å; I213-L215 VanDerWaalsContact O-N 3.14Å; L215-V217 PolarHBondContact O-N 3.41Å; L215-L228 HydrophobicContact CD1-CB 4.2Å; L215-L228 HydrophobicContact CD2-CB 3.77Å; L215-L228 HydrophobicContact CD2-CD1 4.37Å; L215-C229 HydrophobicContact CD1-CB 4.27Å; L215-C229 VanDerWaalsContact CD1-SG 3.55Å; L215-K232 HydrophobicContact CD1-CB 3.98Å; L215-K232 HydrophobicContact CD1-CD 3.71Å; L215-K232 HydrophobicContact CD1-CG 4.47Å; L215-K232 HydrophobicContact CG-CD 4.29Å
216P37.1Very low34.7Very low85 Ų8595.8 Ų95.855%0.55252%0.518SS*.  trans-57.2128.3173.222.8-30.9000108.4V218P216-V218 PolarHBondContact O-N 3.24Å
217V31.4Very low35.9Very low87 Ų8794.9 Ų94.953%0.52751%0.505SS..  trans-66.9107.9177.8-169.50000107.3L215 H219L215-V217 PolarHBondContact O-N 3.41Å; V217-H219 WeakPolarHBondContact CG1-CE1 3.31Å; V217-H219 WeakPolarHBondContact CG1-ND1 3.3Å; V217-H219 PolarHBondContact O-N 3.15Å
218V34Very low36.9Very low44 Ų4493.9 Ų93.927%0.26750%0.497SS..  trans-79.380175-169.90000107.1P216 N220 K221 L224P216-V218 PolarHBondContact O-N 3.24Å; V218-N220 PolarHBondContact O-N 3.31Å; V218-K221 HydrophobicContact CG1-CB 3.82Å; V218-K221 HydrophobicContact CG1-CG 4.36Å; V218-K221 CarbonylContact O-C 3.57Å; V218-K221 PolarHBondContact O-N 2.8Å; V218-L224 HydrophobicContact CG1-CD2 4.5Å
219H32.9Very low38.1Very low159 Ų15985.5 Ų85.574%0.73647%0.471SS*.THydrogen-bonded Turntrans-54.9-24.1-175.4-71.5-39.9000113.6V217V217-H219 WeakPolarHBondContact CG1-CE1 3.31Å; V217-H219 WeakPolarHBondContact CG1-ND1 3.3Å; V217-H219 PolarHBondContact O-N 3.15Å
220N34.5Very low39.1Very low152 Ų15286.6 Ų86.681%0.81347%0.466SS*.THydrogen-bonded Turntrans-98.40.9-178.6-67-8.5000114.7V218V218-N220 PolarHBondContact O-N 3.31Å
221K38.8Very low40.3Very low109 Ų10984.5 Ų84.547%0.47445%0.45SS..  trans-145.777.4178.1-65.1-172.5177.4-177.80111V218 R223 L224 H225V218-K221 HydrophobicContact CG1-CB 3.82Å; V218-K221 HydrophobicContact CG1-CG 4.36Å; V218-K221 CarbonylContact O-C 3.57Å; V218-K221 PolarHBondContact O-N 2.8Å; K221-R223 PolarHBondContact O-N 3.07Å; K221-L224 HydrophobicContact CB-CB 3.7Å; K221-L224 HydrophobicContact CB-CD2 4.46Å; K221-L224 HydrophobicContact CD-CB 4.31Å; K221-L224 HydrophobicContact CD-CD2 3.97Å; K221-L224 PolarHBondContact O-N 3.34Å; K221-H225 PolarHBondContact O-N 3.01Å
222P42.2Very low41.3Very low102 Ų10283.1 Ų83.166%0.66243%0.434SS*.Hα-helixtrans-59.1-33-178.722.7-33.2000112.8H225 A226P222-H225 PolarHBondContact O-N 3.42Å; P222-A226 WeakPolarHBondContact O-CB 3.48Å; P222-A226 PolarHBondContact O-N 3.43Å
223R43.1Very low42.4Very low149 Ų14983.1 Ų83.156%0.56243%0.431SS*.Hα-helixtrans-66.1-43174.5-75.5-172.2167.5-178-1.4113K221 H225 A226 I227 N255K221-R223 PolarHBondContact O-N 3.07Å; R223-H225 VanDerWaalsContact C-N 3.33Å; R223-A226 PolarHBondContact O-N 2.67Å; R223-I227 WeakPolarHBondContact O-CD1 3.45Å; R223-I227 WeakPolarHBondContact O-CG1 3.36Å; R223-I227 PolarHBondContact O-N 2.87Å; R223-N255 VanDerWaalsContact NH1-CB 3.31Å
224L44.4Very low42.9Very low57 Ų5780 Ų8030%0.29842%0.415SS..Hα-helixtrans-65.3-41176.8-174.968.1000110.7V218 K221 A226 I227 L228V218-L224 HydrophobicContact CG1-CD2 4.5Å; K221-L224 HydrophobicContact CB-CB 3.7Å; K221-L224 HydrophobicContact CB-CD2 4.46Å; K221-L224 HydrophobicContact CD-CB 4.31Å; K221-L224 HydrophobicContact CD-CD2 3.97Å; K221-L224 PolarHBondContact O-N 3.34Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.92Å; L224-I227 PolarHBondContact O-N 2.86Å; L224-L228 HydrophobicContact CG-CD1 4.05Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.23Å; L224-L228 PolarHBondContact O-N 2.94Å
225H45.9Very low43.6Very low49 Ų4976.3 Ų76.323%0.22740%0.395CS..Hα-helixtrans-62-41.8174.5-170.971.1000111.7K221 P222 R223 L228 C229K221-H225 PolarHBondContact O-N 3.01Å; P222-H225 PolarHBondContact O-N 3.42Å; R223-H225 VanDerWaalsContact C-N 3.33Å; H225-L228 PolarHBondContact O-N 3.17Å; H225-C229 VanDerWaalsContact O-CB 3.31Å; H225-C229 WeakPolarHBondContact O-CB 3.4Å; H225-C229 PolarHBondContact O-N 3.3Å; H225-C229 PolarHBondContact O-SG 2.76Å; H225-C229 VanDerWaalsContact O-SG 3.36Å
226A47Very low44.2Very low59 Ų5977.7 Ų77.749%0.48840%0.401SS..Hα-helixtrans-62.4-42.1174.200000112.6P222 R223 L224 C229 R230P222-A226 WeakPolarHBondContact O-CB 3.48Å; P222-A226 PolarHBondContact O-N 3.43Å; R223-A226 PolarHBondContact O-N 2.67Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.92Å; A226-C229 PolarHBondContact O-N 3.12Å; A226-R230 VanDerWaalsContact O-CB 3.31Å; A226-R230 WeakPolarHBondContact O-CB 3.13Å; A226-R230 PolarHBondContact O-N 3.41Å
227I50.8Low44.5Very low39 Ų3980.4 Ų80.420%0.241%0.407CS..Hα-helixtrans-63.3-47.8176-66.5161.4000110.2R223 L224 C229 R230 I231 L249 A252R223-I227 WeakPolarHBondContact O-CD1 3.45Å; R223-I227 WeakPolarHBondContact O-CG1 3.36Å; R223-I227 PolarHBondContact O-N 2.87Å; L224-I227 PolarHBondContact O-N 2.86Å; I227-C229 PolarHBondContact O-N 3.38Å; I227-R230 PolarHBondContact O-N 2.91Å; I227-R230 VanDerWaalsContact O-N 3.17Å; I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 WeakPolarHBondContact O-CB 3.35Å; I227-I231 VanDerWaalsContact O-CG1 3.23Å; I227-I231 WeakPolarHBondContact O-CG1 3.46Å; I227-I231 PolarHBondContact O-N 3.39Å; I227-L249 HydrophobicContact CG2-CD2 3.87Å; I227-A252 HydrophobicContact CD1-CB 3.49Å; I227-A252 VanDerWaalsContact CD1-CB 3.49Å; I227-A252 HydrophobicContact CG1-CB 4.1Å
228L50.4Low44.9Very low43 Ų4379.5 Ų79.523%0.22542%0.415CS..Hα-helixtrans-63.4-40.5178.1-71.2170.4000112.2L215 L224 H225 R230 I231 K232L215-L228 HydrophobicContact CD1-CB 4.2Å; L215-L228 HydrophobicContact CD2-CB 3.77Å; L215-L228 HydrophobicContact CD2-CD1 4.37Å; L224-L228 HydrophobicContact CG-CD1 4.05Å; L224-L228 HydrophobicContact CG-CG 4.44Å; L224-L228 WeakPolarHBondContact O-CB 3.34Å; L224-L228 VanDerWaalsContact O-CG 3.28Å; L224-L228 WeakPolarHBondContact O-CG 3.23Å; L224-L228 PolarHBondContact O-N 2.94Å; H225-L228 PolarHBondContact O-N 3.17Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-I231 PolarHBondContact O-N 3.46Å; L228-K232 VanDerWaalsContact O-CB 3.31Å; L228-K232 WeakPolarHBondContact O-CB 3.37Å; L228-K232 PolarHBondContact O-N 2.98Å
229C51.9Low45.1Very low40 Ų4080.2 Ų80.227%0.2743%0.425SS..Hα-helixtrans-63.3-39.1173-78.50000111.9L215 H225 A226 I227 K232 N233L215-C229 HydrophobicContact CD1-CB 4.27Å; L215-C229 VanDerWaalsContact CD1-SG 3.55Å; H225-C229 VanDerWaalsContact O-CB 3.31Å; H225-C229 WeakPolarHBondContact O-CB 3.4Å; H225-C229 PolarHBondContact O-N 3.3Å; H225-C229 PolarHBondContact O-SG 2.76Å; H225-C229 VanDerWaalsContact O-SG 3.36Å; A226-C229 PolarHBondContact O-N 3.12Å; I227-C229 PolarHBondContact O-N 3.38Å; C229-K232 PolarHBondContact O-N 3.36Å; C229-N233 WeakPolarHBondContact O-CB 3.37Å; C229-N233 PolarHBondContact O-N 3.29Å; C229-N233 PolarHBondContact O-ND2 2.94Å; C229-N233 PolarHBondContact O-OD1 3.49Å
230R51.6Low45.6Very low147 Ų14776.1 Ų76.156%0.55541%0.408SS*.Hα-helixtrans-69.7-41.2176.7-165.6168.7-174.5163.6-1111.8A226 I227 L228 N233 L234A226-R230 VanDerWaalsContact O-CB 3.31Å; A226-R230 WeakPolarHBondContact O-CB 3.13Å; A226-R230 PolarHBondContact O-N 3.41Å; I227-R230 PolarHBondContact O-N 2.91Å; I227-R230 VanDerWaalsContact O-N 3.17Å; L228-R230 VanDerWaalsContact C-N 3.34Å; R230-N233 PolarHBondContact O-N 3.38Å; R230-L234 HydrophobicContact CG-CD1 4.31Å; R230-L234 WeakPolarHBondContact O-CB 3.31Å; R230-L234 VanDerWaalsContact O-CG 3.29Å; R230-L234 WeakPolarHBondContact O-CG 3.3Å; R230-L234 PolarHBondContact O-N 2.91Å
231I51.7Low46.1Very low27 Ų2775 Ų7514%0.13840%0.398CS..Hα-helixtrans-61.8-45.3173.3-69.3169.9000110.2I227 L228 N233 L234 L235 L245I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.28Å; I227-I231 WeakPolarHBondContact O-CB 3.35Å; I227-I231 VanDerWaalsContact O-CG1 3.23Å; I227-I231 WeakPolarHBondContact O-CG1 3.46Å; I227-I231 PolarHBondContact O-N 3.39Å; L228-I231 PolarHBondContact O-N 3.46Å; I231-N233 VanDerWaalsContact C-N 3.33Å; I231-N233 PolarHBondContact O-N 2.95Å; I231-L234 PolarHBondContact O-N 3.33Å; I231-L235 HydrophobicContact CG2-CD1 3.64Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 VanDerWaalsContact O-CB 3.28Å; I231-L235 WeakPolarHBondContact O-CB 3.07Å; I231-L235 WeakPolarHBondContact O-CD1 3.17Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.39Å; I231-L235 PolarHBondContact O-N 3.43Å; I231-L245 HydrophobicContact CD1-CD2 4.19Å; I231-L245 HydrophobicContact CD1-CG 4.39Å; I231-L245 HydrophobicContact CG1-CD1 3.94Å; I231-L245 HydrophobicContact CG1-CD2 4.34Å; I231-L245 HydrophobicContact CG1-CG 4.1Å; I231-L245 HydrophobicContact CG2-CD1 4.25Å
232K49.6Very low46.4Very low50 Ų5073.5 Ų73.522%0.21740%0.398CS..Hα-helixtrans-56-45.8171.9174.4-174.3166.7-173.70111.4I213 L215 L228 C229 L235 M236I213-K232 HydrophobicContact CB-CD 4.33Å; I213-K232 WeakPolarHBondContact O-CE 3.3Å; I213-K232 PolarHBondContact O-NZ 3.47Å; L215-K232 HydrophobicContact CD1-CB 3.98Å; L215-K232 HydrophobicContact CD1-CD 3.71Å; L215-K232 HydrophobicContact CD1-CG 4.47Å; L215-K232 HydrophobicContact CG-CD 4.29Å; L228-K232 VanDerWaalsContact O-CB 3.31Å; L228-K232 WeakPolarHBondContact O-CB 3.37Å; L228-K232 PolarHBondContact O-N 2.98Å; C229-K232 PolarHBondContact O-N 3.36Å; K232-L235 WeakPolarHBondContact O-CB 3.47Å; K232-L235 PolarHBondContact O-N 2.94Å; K232-M236 HydrophobicContact CG-CG 4.36Å; K232-M236 WeakPolarHBondContact O-CB 3.48Å; K232-M236 WeakPolarHBondContact O-CG 3.42Å; K232-M236 PolarHBondContact O-N 2.91Å
233N50.4Low46.3Very low86 Ų8675 Ų7546%0.4640%0.396SS..Hα-helixtrans-67.5-38.6179.1-70.5-13.8000112.5C229 R230 I231 M236 Q237C229-N233 WeakPolarHBondContact O-CB 3.37Å; C229-N233 PolarHBondContact O-N 3.29Å; C229-N233 PolarHBondContact O-ND2 2.94Å; C229-N233 PolarHBondContact O-OD1 3.49Å; R230-N233 PolarHBondContact O-N 3.38Å; I231-N233 VanDerWaalsContact C-N 3.33Å; I231-N233 PolarHBondContact O-N 2.95Å; N233-M236 PolarHBondContact O-N 3.22Å; N233-Q237 WeakPolarHBondContact O-CB 3.5Å; N233-Q237 VanDerWaalsContact O-CG 3.23Å; N233-Q237 WeakPolarHBondContact O-CG 3.4Å; N233-Q237 PolarHBondContact O-N 3.42Å
234L46.5Very low46.4Very low32 Ų3270.9 Ų70.917%0.16839%0.387CS..Hα-helixtrans-68.6-37.8175.8-70.7168.9000112R230 I231 Q237 G238R230-L234 HydrophobicContact CG-CD1 4.31Å; R230-L234 WeakPolarHBondContact O-CB 3.31Å; R230-L234 VanDerWaalsContact O-CG 3.29Å; R230-L234 WeakPolarHBondContact O-CG 3.3Å; R230-L234 PolarHBondContact O-N 2.91Å; I231-L234 PolarHBondContact O-N 3.33Å; L234-Q237 PolarHBondContact O-N 3.38Å; L234-G238 PolarHBondContact O-N 3.19Å
235L48.5Very low46.5Very low47 Ų4768.7 Ų68.725%0.24638%0.376CS..Hα-helixtrans-62.1-45.7171.2-79.8161.8000111.7I231 K232 Q237 G238 L240 L273 L277I231-L235 HydrophobicContact CG2-CD1 3.64Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 VanDerWaalsContact O-CB 3.28Å; I231-L235 WeakPolarHBondContact O-CB 3.07Å; I231-L235 WeakPolarHBondContact O-CD1 3.17Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.39Å; I231-L235 PolarHBondContact O-N 3.43Å; K232-L235 WeakPolarHBondContact O-CB 3.47Å; K232-L235 PolarHBondContact O-N 2.94Å; L235-Q237 PolarHBondContact O-N 3.39Å; L235-G238 PolarHBondContact O-N 3.47Å; L235-L240 HydrophobicContact CB-CD1 4.42Å; L235-L240 HydrophobicContact CD2-CD1 3.12Å; L235-L240 HydrophobicContact CG-CD1 3.5Å; L235-L273 HydrophobicContact CD1-CD2 3.65Å; L235-L277 HydrophobicContact CD2-CD1 3.68Å
236M45.3Very low46.5Very low68 Ų6870.4 Ų70.434%0.33539%0.386SS..Hα-helixtrans-66.9-22.6177-67-103.8-63.300113V207 K232 N233V207-M236 WeakPolarHBondContact CG1-O 3.45Å; K232-M236 HydrophobicContact CG-CG 4.36Å; K232-M236 WeakPolarHBondContact O-CB 3.48Å; K232-M236 WeakPolarHBondContact O-CG 3.42Å; K232-M236 PolarHBondContact O-N 2.91Å; N233-M236 PolarHBondContact O-N 3.22Å
237Q44Very low46.5Very low143 Ų14372.2 Ų72.267%0.66839%0.387SS*.THydrogen-bonded Turntrans-90.30.2178.6-74.3175.50.700113.3N233 L234 L235 A239N233-Q237 WeakPolarHBondContact O-CB 3.5Å; N233-Q237 VanDerWaalsContact O-CG 3.23Å; N233-Q237 WeakPolarHBondContact O-CG 3.4Å; N233-Q237 PolarHBondContact O-N 3.42Å; L234-Q237 PolarHBondContact O-N 3.38Å; L235-Q237 PolarHBondContact O-N 3.39Å; Q237-A239 PolarHBondContact O-N 3.38Å
238G39.9Very low46.3Very low68 Ų6873 Ų7370%0.70139%0.39SS*.THydrogen-bonded Turntrans65.67.3178.400000114.7L234 L235L234-G238 PolarHBondContact O-N 3.19Å; L235-G238 PolarHBondContact O-N 3.47Å
239A38.5Very low46.2Very low58 Ų5872 Ų7248%0.47939%0.385SS..  trans-109.366.1-173.400000110.1Q237 H241Q237-A239 PolarHBondContact O-N 3.38Å; A239-H241 PolarHBondContact O-N 2.94Å
240L42.8Very low45.9Very low73 Ų7375 Ų7538%0.38240%0.398SS..  trans-96.675.9179-135.3144.9000110.4L235 V242 L245L235-L240 HydrophobicContact CB-CD1 4.42Å; L235-L240 HydrophobicContact CD2-CD1 3.12Å; L235-L240 HydrophobicContact CG-CD1 3.5Å; L240-V242 VanDerWaalsContact C-N 3.33Å; L240-V242 HydrophobicContact CD2-CG2 3.85Å; L240-V242 PolarHBondContact O-N 3.44Å; L240-V242 VanDerWaalsContact O-N 3.07Å; L240-L245 HydrophobicContact CD2-CD1 3.96Å; L240-L245 HydrophobicContact CG-CD1 4.18Å
241H45.7Very low45.8Very low130 Ų13073.4 Ų73.460%0.60240%0.404SS*.  trans-66.4100.4152.6-94.5-93000107A239 E243 V244 L245A239-H241 PolarHBondContact O-N 2.94Å; H241-E243 PolarHBondContact O-N 3.3Å; H241-E243 VanDerWaalsContact O-N 3.07Å; H241-V244 HydrophobicContact CB-CB 4.33Å; H241-V244 HydrophobicContact CB-CG2 3.79Å; H241-V244 WeakPolarHBondContact O-CB 3.4Å; H241-V244 PolarHBondContact O-N 2.9Å; H241-L245 PolarHBondContact O-N 3.01Å
242V43.6Very low45.4Very low77 Ų7773.8 Ų73.847%0.46741%0.411SS..Hα-helixtrans-50.5-31175.3176.50000111.2L240 V244 L245 I246L240-V242 VanDerWaalsContact C-N 3.33Å; L240-V242 HydrophobicContact CD2-CG2 3.85Å; L240-V242 PolarHBondContact O-N 3.44Å; L240-V242 VanDerWaalsContact O-N 3.07Å; V242-V244 PolarHBondContact O-N 3.48Å; V242-L245 WeakPolarHBondContact O-CB 3.45Å; V242-L245 PolarHBondContact O-N 3.44Å; V242-I246 HydrophobicContact CG1-CD1 3.83Å; V242-I246 HydrophobicContact CG1-CG1 4.35Å; V242-I246 WeakPolarHBondContact O-CG1 3Å; V242-I246 PolarHBondContact O-N 2.96Å
243E41Very low45.1Very low134 Ų13473.1 Ų73.163%0.62641%0.413SS*.Hα-helixtrans-61.5-38.5173.1-69.8-176.9151.400114H241 L245 N247H241-E243 PolarHBondContact O-N 3.3Å; H241-E243 VanDerWaalsContact O-N 3.07Å; E243-L245 VanDerWaalsContact C-N 3.29Å; E243-L245 PolarHBondContact O-N 2.89Å; E243-N247 VanDerWaalsContact O-CB 3.26Å; E243-N247 WeakPolarHBondContact O-CB 3.46Å; E243-N247 PolarHBondContact O-N 3.44Å; E243-N247 PolarHBondContact O-ND2 3.49Å
244V45.9Very low44.5Very low61 Ų6171.6 Ų71.637%0.3742%0.417SS..Hα-helixtrans-68.5-35.1176177.60000110H241 V242 Q248H241-V244 HydrophobicContact CB-CB 4.33Å; H241-V244 HydrophobicContact CB-CG2 3.79Å; H241-V244 WeakPolarHBondContact O-CB 3.4Å; H241-V244 PolarHBondContact O-N 2.9Å; V242-V244 PolarHBondContact O-N 3.48Å; V244-Q248 HydrophobicContact CG1-CG 4.3Å; V244-Q248 VanDerWaalsContact O-CB 3.24Å; V244-Q248 WeakPolarHBondContact O-CB 3.28Å; V244-Q248 WeakPolarHBondContact O-CG 2.81Å; V244-Q248 PolarHBondContact O-N 3.05Å
245L46.7Very low44.4Very low12 Ų1276.4 Ų76.46%0.06344%0.443CS..Hα-helixtrans-67.6-45.9177.9-140.3108.2000111.4I231 L240 H241 V242 E243 Q248 L249 I270I231-L245 HydrophobicContact CD1-CD2 4.19Å; I231-L245 HydrophobicContact CD1-CG 4.39Å; I231-L245 HydrophobicContact CG1-CD1 3.94Å; I231-L245 HydrophobicContact CG1-CD2 4.34Å; I231-L245 HydrophobicContact CG1-CG 4.1Å; I231-L245 HydrophobicContact CG2-CD1 4.25Å; L240-L245 HydrophobicContact CD2-CD1 3.96Å; L240-L245 HydrophobicContact CG-CD1 4.18Å; H241-L245 PolarHBondContact O-N 3.01Å; V242-L245 WeakPolarHBondContact O-CB 3.45Å; V242-L245 PolarHBondContact O-N 3.44Å; E243-L245 VanDerWaalsContact C-N 3.29Å; E243-L245 PolarHBondContact O-N 2.89Å; L245-Q248 PolarHBondContact O-N 3.44Å; L245-L249 HydrophobicContact CD2-CD1 4.15Å; L245-L249 VanDerWaalsContact O-CB 3.31Å; L245-L249 WeakPolarHBondContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CD1 3.43Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.09Å; L245-I270 HydrophobicContact CD2-CD1 3.96Å; L245-I270 HydrophobicContact CD2-CG1 4.35Å
246I45.6Very low44.1Very low85 Ų8577.4 Ų77.444%0.43645%0.454SS..Hα-helixtrans-65.7-45.7176.9-67.9169.4000110.4V242 Q248 L249 L250V242-I246 HydrophobicContact CG1-CD1 3.83Å; V242-I246 HydrophobicContact CG1-CG1 4.35Å; V242-I246 WeakPolarHBondContact O-CG1 3Å; V242-I246 PolarHBondContact O-N 2.96Å; I246-Q248 PolarHBondContact O-N 3.28Å; I246-L249 PolarHBondContact O-N 3.3Å; I246-L250 HydrophobicContact CG2-CD1 3.68Å; I246-L250 HydrophobicContact CG2-CG 4.39Å; I246-L250 WeakPolarHBondContact O-CB 3.45Å; I246-L250 VanDerWaalsContact O-CG 3.29Å; I246-L250 WeakPolarHBondContact O-CG 3.43Å; I246-L250 PolarHBondContact O-N 2.94Å
247N45.6Very low43.9Very low96 Ų9680.3 Ų80.351%0.51348%0.476SS..Hα-helixtrans-65.9-37.2178.1-77.8-31.3000112.3E243 T251E243-N247 VanDerWaalsContact O-CB 3.26Å; E243-N247 WeakPolarHBondContact O-CB 3.46Å; E243-N247 PolarHBondContact O-N 3.44Å; E243-N247 PolarHBondContact O-ND2 3.49Å; N247-T251 VanDerWaalsContact O-CB 3.28Å; N247-T251 WeakPolarHBondContact O-CB 3.09Å; N247-T251 PolarHBondContact O-N 2.93Å; N247-T251 PolarHBondContact O-OG1 2.96Å
248Q48.1Very low44Very low56 Ų5676.4 Ų76.426%0.26246%0.459SS..Hα-helixtrans-71.8-34.6175-75178.716.900112.5V244 L245 I246 A252V244-Q248 HydrophobicContact CG1-CG 4.3Å; V244-Q248 VanDerWaalsContact O-CB 3.24Å; V244-Q248 WeakPolarHBondContact O-CB 3.28Å; V244-Q248 WeakPolarHBondContact O-CG 2.81Å; V244-Q248 PolarHBondContact O-N 3.05Å; L245-Q248 PolarHBondContact O-N 3.44Å; I246-Q248 PolarHBondContact O-N 3.28Å; Q248-A252 WeakPolarHBondContact O-CB 3.46Å; Q248-A252 PolarHBondContact O-N 3.17Å
249L47.8Very low44.3Very low23 Ų2376.7 Ų76.712%0.1244%0.439CS..Hα-helixtrans-67.2-41.3173-80.3162.6000111.8I227 L245 I246 A252 S253 I266 I270I227-L249 HydrophobicContact CG2-CD2 3.87Å; L245-L249 HydrophobicContact CD2-CD1 4.15Å; L245-L249 VanDerWaalsContact O-CB 3.31Å; L245-L249 WeakPolarHBondContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CD1 3.43Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.48Å; L245-L249 PolarHBondContact O-N 3.09Å; I246-L249 PolarHBondContact O-N 3.3Å; L249-A252 PolarHBondContact O-N 2.92Å; L249-S253 WeakPolarHBondContact O-CB 3.28Å; L249-S253 PolarHBondContact O-N 3.29Å; L249-I266 HydrophobicContact CD1-CG2 4Å; L249-I266 HydrophobicContact CD2-CD1 4.4Å; L249-I266 HydrophobicContact CD2-CG2 4.36Å; L249-I270 HydrophobicContact CD1-CD1 4.13Å
250L45.2Very low44.5Very low103 Ų10378.8 Ų78.854%0.53945%0.447SS..Hα-helixtrans-66.6-41.6174-74.1165.8000111.8I246 A252 S253 G254I246-L250 HydrophobicContact CG2-CD1 3.68Å; I246-L250 HydrophobicContact CG2-CG 4.39Å; I246-L250 WeakPolarHBondContact O-CB 3.45Å; I246-L250 VanDerWaalsContact O-CG 3.29Å; I246-L250 WeakPolarHBondContact O-CG 3.43Å; I246-L250 PolarHBondContact O-N 2.94Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.61Å; L250-S253 PolarHBondContact O-N 3.4Å; L250-S253 PolarHBondContact O-OG 3.17Å; L250-S253 VanDerWaalsContact O-OG 3.12Å; L250-G254 PolarHBondContact O-N 2.79Å
251T50.3Low44.5Very low113 Ų11380.7 Ų80.769%0.69346%0.458SS*.Hα-helixtrans-67.9-34.9176.1-50.10000111.4N247 G254N247-T251 VanDerWaalsContact O-CB 3.28Å; N247-T251 WeakPolarHBondContact O-CB 3.09Å; N247-T251 PolarHBondContact O-N 2.93Å; N247-T251 PolarHBondContact O-OG1 2.96Å; T251-G254 PolarHBondContact O-N 3Å
252A43.2Very low44.3Very low34 Ų3477.1 Ų77.128%0.28144%0.444SS..Hα-helixtrans-75.7-24.3176.100000113.4I227 Q248 L249 L250 G254I227-A252 HydrophobicContact CD1-CB 3.49Å; I227-A252 VanDerWaalsContact CD1-CB 3.49Å; I227-A252 HydrophobicContact CG1-CB 4.1Å; Q248-A252 WeakPolarHBondContact O-CB 3.46Å; Q248-A252 PolarHBondContact O-N 3.17Å; L249-A252 PolarHBondContact O-N 2.92Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.61Å; A252-G254 VanDerWaalsContact C-N 3.27Å
253S42.3Very low44.3Very low36 Ų3676.3 Ų76.325%0.25244%0.439SS..Hα-helixtrans-71.6-23.3171.3102.60000112.8L249 L250 N255 S256L249-S253 WeakPolarHBondContact O-CB 3.28Å; L249-S253 PolarHBondContact O-N 3.29Å; L250-S253 PolarHBondContact O-N 3.4Å; L250-S253 PolarHBondContact O-OG 3.17Å; L250-S253 VanDerWaalsContact O-OG 3.12Å; S253-N255 PolarHBondContact O-N 2.93Å; S253-S256 CarbonylContact O-C 3.6Å; S253-S256 PolarHBondContact O-N 3.26Å; S253-S256 VanDerWaalsContact O-O 3.09Å
254G38.6Very low44.3Very low54 Ų5473.2 Ų73.256%0.55743%0.431SS*.THydrogen-bonded Turntrans-62.719.8-175.900000116.7L250 T251 A252L250-G254 PolarHBondContact O-N 2.79Å; T251-G254 PolarHBondContact O-N 3Å; A252-G254 VanDerWaalsContact C-N 3.27Å
255N44.2Very low44.2Very low133 Ų13372.6 Ų72.671%0.71143%0.432SS*.THydrogen-bonded Turntrans-150.76.8170.1-94-36.7000114.3R223 S253R223-N255 VanDerWaalsContact NH1-CB 3.31Å; S253-N255 PolarHBondContact O-N 2.93Å
256S42.3Very low44.2Very low68 Ų6873.7 Ų73.748%0.47644%0.438SS..SBendtrans-160.611817452.60000108.5S253 I258S253-S256 CarbonylContact O-C 3.6Å; S253-S256 PolarHBondContact O-N 3.26Å; S253-S256 VanDerWaalsContact O-O 3.09Å; S256-I258 PolarHBondContact O-N 3.43Å
257T41.7Very low44.3Very low130 Ų13071.6 Ų71.680%0.79843%0.428SS*.  trans-40.297.6176.6490000111.3R259T257-R259 PolarHBondContact O-N 2.89Å
258I46Very low44.4Very low60 Ų6071.6 Ų71.631%0.30843%0.431SS..  trans-67.4114.5165.4-71.5-174.3000104.8S256 D262 V263S256-I258 PolarHBondContact O-N 3.43Å; I258-D262 HydrophobicContact CG2-CB 3.7Å; I258-V263 HydrophobicContact CG2-CG2 3.54Å
259R46Very low44.4Very low74 Ų7473.4 Ų73.428%0.27944%0.442SS..  trans-68.3151.7176.8-68.7-178.4171.8-160-8.6108.7T257 D261 D262 V263T257-R259 PolarHBondContact O-N 2.89Å; R259-D261 HydrophobicContact CB-CB 4.5Å; R259-D261 PolarHBondContact O-N 3.41Å; R259-D262 PolarHBondContact N-OD2 3.34Å; R259-D262 VanDerWaalsContact N-OD2 3.08Å; R259-D262 WeakPolarHBondContact O-CA 3.18Å; R259-D262 WeakPolarHBondContact O-CB 3.41Å; R259-D262 PolarHBondContact O-N 3.39Å; R259-V263 PolarHBondContact O-N 2.88Å
260P41.9Very low44.5Very low102 Ų10274.7 Ų74.766%0.66245%0.448SS*.Hα-helixtrans-50.1-33.1171.9-24.332.7000112.4V263 C264P260-V263 WeakPolarHBondContact O-CB 3.28Å; P260-V263 PolarHBondContact O-N 3.15Å; P260-C264 PolarHBondContact O-N 3.48Å
261D43.7Very low44.7Very low114 Ų11473.8 Ų73.861%0.6144%0.444SS*.Hα-helixtrans-65-37175.6-51.4-39.7000113R259 V263 C264 A265R259-D261 HydrophobicContact CB-CB 4.5Å; R259-D261 PolarHBondContact O-N 3.41Å; D261-V263 VanDerWaalsContact C-N 3.33Å; D261-C264 PolarHBondContact O-N 3.41Å; D261-A265 PolarHBondContact O-N 2.86Å
262D41.7Very low44.7Very low55 Ų5570.7 Ų70.729%0.29443%0.427SS..Hα-helixtrans-68.3-35174.8-67.8-54.2000110.5I258 R259 A265 I266I258-D262 HydrophobicContact CG2-CB 3.7Å; R259-D262 PolarHBondContact N-OD2 3.34Å; R259-D262 VanDerWaalsContact N-OD2 3.08Å; R259-D262 WeakPolarHBondContact O-CA 3.18Å; R259-D262 WeakPolarHBondContact O-CB 3.41Å; R259-D262 PolarHBondContact O-N 3.39Å; D262-A265 PolarHBondContact O-N 3.05Å; D262-I266 WeakPolarHBondContact O-CB 3.26Å; D262-I266 WeakPolarHBondContact O-CD1 3.36Å; D262-I266 WeakPolarHBondContact O-CG1 3.38Å; D262-I266 PolarHBondContact O-N 3.24Å
263V42.9Very low45Very low60 Ų6072.3 Ų72.336%0.36443%0.43SS..Hα-helixtrans-65.8-43.9175-174.40000110.7I258 R259 P260 D261 A265 I266 D267I258-V263 HydrophobicContact CG2-CG2 3.54Å; R259-V263 PolarHBondContact O-N 2.88Å; P260-V263 WeakPolarHBondContact O-CB 3.28Å; P260-V263 PolarHBondContact O-N 3.15Å; D261-V263 VanDerWaalsContact C-N 3.33Å; V263-A265 VanDerWaalsContact C-N 3.32Å; V263-A265 PolarHBondContact O-N 2.84Å; V263-I266 PolarHBondContact O-N 3.37Å; V263-D267 WeakPolarHBondContact O-CB 3.33Å; V263-D267 VanDerWaalsContact O-CG 3.25Å; V263-D267 PolarHBondContact O-N 3.13Å
264C41.2Very low45.3Very low68 Ų6875 Ų7546%0.45944%0.44SS..Hα-helixtrans-60.4-41.5173.6-96.20000112.1P260 D261 T268P260-C264 PolarHBondContact O-N 3.48Å; D261-C264 PolarHBondContact O-N 3.41Å; C264-T268 VanDerWaalsContact O-CB 3.3Å; C264-T268 WeakPolarHBondContact O-CB 3.47Å; C264-T268 PolarHBondContact O-N 3.39Å; C264-T268 PolarHBondContact O-OG1 3.01Å
265A44.1Very low46Very low48 Ų4875.9 Ų75.940%0.39743%0.431SS..Hα-helixtrans-65.8-41.9177.100000112D261 D262 V263 T268 L269D261-A265 PolarHBondContact O-N 2.86Å; D262-A265 PolarHBondContact O-N 3.05Å; V263-A265 VanDerWaalsContact C-N 3.32Å; V263-A265 PolarHBondContact O-N 2.84Å; A265-T268 PolarHBondContact O-N 3.43Å; A265-L269 WeakPolarHBondContact O-CB 3.13Å; A265-L269 PolarHBondContact O-N 3.19Å
266I46.9Very low46.2Very low36 Ų3673.4 Ų73.419%0.18542%0.417CS..Hα-helixtrans-66.8-45.4177.3-69.9162.8000110.7L249 D262 V263 T268 L269 I270L249-I266 HydrophobicContact CD1-CG2 4Å; L249-I266 HydrophobicContact CD2-CD1 4.4Å; L249-I266 HydrophobicContact CD2-CG2 4.36Å; D262-I266 WeakPolarHBondContact O-CB 3.26Å; D262-I266 WeakPolarHBondContact O-CD1 3.36Å; D262-I266 WeakPolarHBondContact O-CG1 3.38Å; D262-I266 PolarHBondContact O-N 3.24Å; V263-I266 PolarHBondContact O-N 3.37Å; I266-T268 VanDerWaalsContact C-N 3.32Å; I266-T268 PolarHBondContact O-N 3.31Å; I266-L269 WeakPolarHBondContact O-CB 3.27Å; I266-L269 PolarHBondContact O-N 3.48Å; I266-I270 HydrophobicContact CG2-CD1 3.65Å; I266-I270 HydrophobicContact CG2-CG1 4.32Å; I266-I270 WeakPolarHBondContact O-CB 3.36Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.5Å; I266-I270 PolarHBondContact O-N 3.12Å
267D47.4Very low46.4Very low41 Ų4173.5 Ų73.522%0.21941%0.412CS..Hα-helixtrans-61.7-42.1176.5-74.7-23000111.1R97 V263 I270 L271R97-D267 IonicContact CZ-OD2 2.87Å; R97-D267 IonicContact NH1-OD2 2.61Å; R97-D267 PolarHBondContact NH1-OD2 3.12Å; R97-D267 IonicContact NH2-OD2 3.73Å; R97-D267 PolarHBondContact NH2-OD2 2.95Å; V263-D267 WeakPolarHBondContact O-CB 3.33Å; V263-D267 VanDerWaalsContact O-CG 3.25Å; V263-D267 PolarHBondContact O-N 3.13Å; D267-I270 PolarHBondContact O-N 3.49Å; D267-L271 VanDerWaalsContact O-CB 3.28Å; D267-L271 WeakPolarHBondContact O-CB 3.49Å; D267-L271 WeakPolarHBondContact O-CD1 3.39Å; D267-L271 WeakPolarHBondContact O-CG 3.32Å; D267-L271 PolarHBondContact O-N 3Å
268T46.2Very low46.8Very low95 Ų9574.1 Ų74.158%0.58340%0.4SS*.Hα-helixtrans-64.7-41.3176.2-54.60000111.2C264 A265 I266 L271 S272C264-T268 VanDerWaalsContact O-CB 3.3Å; C264-T268 WeakPolarHBondContact O-CB 3.47Å; C264-T268 PolarHBondContact O-N 3.39Å; C264-T268 PolarHBondContact O-OG1 3.01Å; A265-T268 PolarHBondContact O-N 3.43Å; I266-T268 VanDerWaalsContact C-N 3.32Å; I266-T268 PolarHBondContact O-N 3.31Å; T268-L271 PolarHBondContact O-N 3.12Å; T268-S272 VanDerWaalsContact O-CB 3.26Å; T268-S272 WeakPolarHBondContact O-CB 3.44Å; T268-S272 PolarHBondContact O-N 2.87Å
269L48.5Very low47Very low95 Ų9576.2 Ų76.250%0.49741%0.412SS..Hα-helixtrans-63-46.5174.7-99.2156.5000111.9A265 I266 S272 L273A265-L269 WeakPolarHBondContact O-CB 3.13Å; A265-L269 PolarHBondContact O-N 3.19Å; I266-L269 WeakPolarHBondContact O-CB 3.27Å; I266-L269 PolarHBondContact O-N 3.48Å; L269-S272 PolarHBondContact O-N 3.33Å; L269-L273 HydrophobicContact CD2-CD1 4.43Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 WeakPolarHBondContact O-CD1 3.31Å; L269-L273 PolarHBondContact O-N 3.31Å
270I50.1Low46.7Very low49 Ų4977 Ų7725%0.25142%0.421SS..Hα-helixtrans-62.4-45.9178-69.6168.7000110.1L245 L249 I266 D267 L273 M274L245-I270 HydrophobicContact CD2-CD1 3.96Å; L245-I270 HydrophobicContact CD2-CG1 4.35Å; L249-I270 HydrophobicContact CD1-CD1 4.13Å; I266-I270 HydrophobicContact CG2-CD1 3.65Å; I266-I270 HydrophobicContact CG2-CG1 4.32Å; I266-I270 WeakPolarHBondContact O-CB 3.36Å; I266-I270 VanDerWaalsContact O-CG1 3.25Å; I266-I270 WeakPolarHBondContact O-CG1 3.5Å; I266-I270 PolarHBondContact O-N 3.12Å; D267-I270 PolarHBondContact O-N 3.49Å; I270-L273 PolarHBondContact O-N 3.32Å; I270-M274 HydrophobicContact CG2-CG 4.47Å; I270-M274 HydrophobicContact CG2-SD 4.13Å; I270-M274 WeakPolarHBondContact O-CB 3.31Å; I270-M274 VanDerWaalsContact O-CG 3.26Å; I270-M274 WeakPolarHBondContact O-CG 3.33Å; I270-M274 PolarHBondContact O-N 3.05Å
271L49.7Very low46.8Very low84 Ų8478 Ų7844%0.4442%0.417SS..Hα-helixtrans-67.4-38.8178.6-82.3156.4000112.7D267 T268 M274 M275D267-L271 VanDerWaalsContact O-CB 3.28Å; D267-L271 WeakPolarHBondContact O-CB 3.49Å; D267-L271 WeakPolarHBondContact O-CD1 3.39Å; D267-L271 WeakPolarHBondContact O-CG 3.32Å; D267-L271 PolarHBondContact O-N 3Å; T268-L271 PolarHBondContact O-N 3.12Å; L271-M274 PolarHBondContact O-N 3.14Å; L271-M275 PolarHBondContact O-N 3.43Å
272S49.8Very low46.8Very low49 Ų4975.7 Ų75.734%0.34341%0.41SS..Hα-helixtrans-62.8-45.5173.3-1650000110.6T268 L269 M274 M275 D276T268-S272 VanDerWaalsContact O-CB 3.26Å; T268-S272 WeakPolarHBondContact O-CB 3.44Å; T268-S272 PolarHBondContact O-N 2.87Å; L269-S272 PolarHBondContact O-N 3.33Å; S272-M274 VanDerWaalsContact C-N 3.34Å; S272-M274 PolarHBondContact O-N 2.94Å; S272-M275 PolarHBondContact O-N 2.86Å; S272-D276 WeakPolarHBondContact O-CB 3.34Å; S272-D276 PolarHBondContact O-N 3.19Å
273L49.8Very low46.5Very low68 Ų6875.1 Ų75.136%0.35641%0.413SS..Hα-helixtrans-61-41.6174.2-102.7125.5000112L235 L269 I270 D276 L277L235-L273 HydrophobicContact CD1-CD2 3.65Å; L269-L273 HydrophobicContact CD2-CD1 4.43Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 WeakPolarHBondContact O-CD1 3.31Å; L269-L273 PolarHBondContact O-N 3.31Å; I270-L273 PolarHBondContact O-N 3.32Å; L273-D276 PolarHBondContact O-N 2.92Å; L273-L277 VanDerWaalsContact O-CB 3.29Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CD1 3.39Å; L273-L277 WeakPolarHBondContact O-CG 3.33Å; L273-L277 PolarHBondContact O-N 3.22Å
274M49.6Very low46.3Very low91 Ų9177.6 Ų77.645%0.44842%0.422SS..Hα-helixtrans-65.4-37176-74.6-178.772.100112.3I270 L271 S272 R278I270-M274 HydrophobicContact CG2-CG 4.47Å; I270-M274 HydrophobicContact CG2-SD 4.13Å; I270-M274 WeakPolarHBondContact O-CB 3.31Å; I270-M274 VanDerWaalsContact O-CG 3.26Å; I270-M274 WeakPolarHBondContact O-CG 3.33Å; I270-M274 PolarHBondContact O-N 3.05Å; L271-M274 PolarHBondContact O-N 3.14Å; S272-M274 VanDerWaalsContact C-N 3.34Å; S272-M274 PolarHBondContact O-N 2.94Å; M274-R278 VanDerWaalsContact O-CB 3.3Å; M274-R278 WeakPolarHBondContact O-CB 3.45Å; M274-R278 PolarHBondContact O-N 3.39Å
275M52.2Low46.1Very low74 Ų7477.5 Ų77.537%0.36543%0.427SS..Hα-helixtrans-69.6-43.9175.1-81.9-162.3152.700112.3F93 L271 S272 L277 R278 N279F93-M275 HydrophobicContact CE1-CE 3.34Å; F93-M275 HydrophobicContact CE1-SD 3.72Å; F93-M275 HydrophobicContact CZ-CE 3.57Å; F93-M275 HydrophobicContact CZ-SD 3.55Å; F93-M275 VanDerWaalsContact CZ-SD 3.55Å; L271-M275 PolarHBondContact O-N 3.43Å; S272-M275 PolarHBondContact O-N 2.86Å; M275-L277 VanDerWaalsContact C-N 3.3Å; M275-L277 PolarHBondContact O-N 3.4Å; M275-R278 PolarHBondContact O-N 3.42Å; M275-R278 VanDerWaalsContact O-N 3.17Å; M275-N279 WeakPolarHBondContact O-CB 3.3Å; M275-N279 VanDerWaalsContact O-CG 3.26Å; M275-N279 PolarHBondContact O-N 3.48Å; M275-N279 PolarHBondContact O-ND2 2.97Å
276D48.9Very low45.9Very low80 Ų8079.6 Ų79.643%0.42844%0.435SS..Hα-helixtrans-63.3-39.6176.3-71.7-26.4000110.8S272 L273 N279 L280S272-D276 WeakPolarHBondContact O-CB 3.34Å; S272-D276 PolarHBondContact O-N 3.19Å; L273-D276 PolarHBondContact O-N 2.92Å; D276-N279 PolarHBondContact O-N 2.85Å; D276-L280 WeakPolarHBondContact O-CB 3.48Å; D276-L280 PolarHBondContact O-N 2.98Å
277L47Very low45.5Very low71 Ų7181.6 Ų81.637%0.37245%0.446SS..Hα-helixtrans-65.8-37.8173.2-72.9166.5000112.5L235 L273 M275 L280 Q281L235-L277 HydrophobicContact CD2-CD1 3.68Å; L273-L277 VanDerWaalsContact O-CB 3.29Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 WeakPolarHBondContact O-CD1 3.39Å; L273-L277 WeakPolarHBondContact O-CG 3.33Å; L273-L277 PolarHBondContact O-N 3.22Å; M275-L277 VanDerWaalsContact C-N 3.3Å; M275-L277 PolarHBondContact O-N 3.4Å; L277-L280 PolarHBondContact O-N 3.43Å; L277-Q281 WeakPolarHBondContact O-CB 3.3Å; L277-Q281 VanDerWaalsContact O-CG 3.32Å; L277-Q281 WeakPolarHBondContact O-CG 3.18Å; L277-Q281 PolarHBondContact O-N 2.77Å
278R49.4Very low45.1Very low142 Ų14284.1 Ų84.154%0.53647%0.467SS..Hα-helixtrans-71.2-37.8177-163.5-177.6-69.8-177.3-1.7111.6M274 M275 Q281 S282M274-R278 VanDerWaalsContact O-CB 3.3Å; M274-R278 WeakPolarHBondContact O-CB 3.45Å; M274-R278 PolarHBondContact O-N 3.39Å; M275-R278 PolarHBondContact O-N 3.42Å; M275-R278 VanDerWaalsContact O-N 3.17Å; R278-Q281 PolarHBondContact O-N 3.27Å; R278-S282 VanDerWaalsContact O-CB 3.26Å; R278-S282 WeakPolarHBondContact O-CB 3.43Å; R278-S282 PolarHBondContact O-N 3.44Å
279N49Very low44.6Very low104 Ų10486.4 Ų86.456%0.55648%0.476SS*.Hα-helixtrans-67.2-38.8172.7-71.6-22.8000111.2M275 D276 S282 A283M275-N279 WeakPolarHBondContact O-CB 3.3Å; M275-N279 VanDerWaalsContact O-CG 3.26Å; M275-N279 PolarHBondContact O-N 3.48Å; M275-N279 PolarHBondContact O-ND2 2.97Å; D276-N279 PolarHBondContact O-N 2.85Å; N279-S282 PolarHBondContact O-N 3.5Å; N279-A283 VanDerWaalsContact O-CB 3.3Å; N279-A283 WeakPolarHBondContact O-CB 3.41Å; N279-A283 PolarHBondContact O-N 3.39Å
280L40.1Very low43.7Very low90 Ų9086 Ų8647%0.47150%0.495SS..Hα-helixtrans-66.3-45174.2-165.977.4000111D276 L277 S282 A283 I284D276-L280 WeakPolarHBondContact O-CB 3.48Å; D276-L280 PolarHBondContact O-N 2.98Å; L277-L280 PolarHBondContact O-N 3.43Å; L280-S282 VanDerWaalsContact C-N 3.35Å; L280-S282 PolarHBondContact O-N 3.23Å; L280-A283 PolarHBondContact O-N 3.4Å; L280-I284 HydrophobicContact CG-CD1 4.05Å; L280-I284 WeakPolarHBondContact O-CB 3.22Å; L280-I284 WeakPolarHBondContact O-CD1 3.43Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.06Å
281Q43.9Very low42.9Very low124 Ų12486.5 Ų86.558%0.57951%0.505SS*.Hα-helixtrans-61.9-41.1173.5-80.7-179.3-19.200112L277 R278 I284 A285L277-Q281 WeakPolarHBondContact O-CB 3.3Å; L277-Q281 VanDerWaalsContact O-CG 3.32Å; L277-Q281 WeakPolarHBondContact O-CG 3.18Å; L277-Q281 PolarHBondContact O-N 2.77Å; R278-Q281 PolarHBondContact O-N 3.27Å; Q281-I284 PolarHBondContact O-N 3.08Å; Q281-A285 VanDerWaalsContact O-CB 3.22Å; Q281-A285 WeakPolarHBondContact O-CB 3.47Å; Q281-A285 PolarHBondContact O-N 3.05Å
282S43.6Very low41.9Very low66 Ų6692.2 Ų92.246%0.46253%0.53SS..Hα-helixtrans-62.1-46.5173.6177.40000111.3R278 N279 L280 I284 A285 T286R278-S282 VanDerWaalsContact O-CB 3.26Å; R278-S282 WeakPolarHBondContact O-CB 3.43Å; R278-S282 PolarHBondContact O-N 3.44Å; N279-S282 PolarHBondContact O-N 3.5Å; L280-S282 VanDerWaalsContact C-N 3.35Å; L280-S282 PolarHBondContact O-N 3.23Å; S282-I284 VanDerWaalsContact C-N 3.3Å; S282-I284 PolarHBondContact O-N 3.42Å; S282-A285 PolarHBondContact O-N 3.28Å; S282-T286 WeakPolarHBondContact O-CG2 3.39Å; S282-T286 PolarHBondContact O-N 3.17Å; S282-T286 PolarHBondContact O-OG1 2.94Å
283A35.6Very low41.1Very low43 Ų4394.4 Ų94.436%0.35554%0.542SS..Hα-helixtrans-64.6-35.5178.900000112N279 L280 T286 N287N279-A283 VanDerWaalsContact O-CB 3.3Å; N279-A283 WeakPolarHBondContact O-CB 3.41Å; N279-A283 PolarHBondContact O-N 3.39Å; L280-A283 PolarHBondContact O-N 3.4Å; A283-T286 WeakPolarHBondContact CA-OG1 3.28Å; A283-T286 PolarHBondContact O-OG1 3.49Å; A283-N287 WeakPolarHBondContact O-CB 3.39Å; A283-N287 PolarHBondContact O-N 3.2Å; A283-N287 PolarHBondContact O-ND2 3.01Å
284I38.1Very low40.3Very low111 Ų11199.1 Ų99.157%0.56957%0.566SS**Hα-helixtrans-70.2-40.8173.9-67.3164000110.8L280 Q281 S282 N287L280-I284 HydrophobicContact CG-CD1 4.05Å; L280-I284 WeakPolarHBondContact O-CB 3.22Å; L280-I284 WeakPolarHBondContact O-CD1 3.43Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.06Å; Q281-I284 PolarHBondContact O-N 3.08Å; S282-I284 VanDerWaalsContact C-N 3.3Å; S282-I284 PolarHBondContact O-N 3.42Å; I284-N287 PolarHBondContact O-N 3.26Å
285A38.2Very low39.7Very low67 Ų67100.7 Ų100.755%0.55458%0.58SS**Hα-helixtrans-74.3-24.4179.600000113.8Q281 S282 S288Q281-A285 VanDerWaalsContact O-CB 3.22Å; Q281-A285 WeakPolarHBondContact O-CB 3.47Å; Q281-A285 PolarHBondContact O-N 3.05Å; S282-A285 PolarHBondContact O-N 3.28Å; A285-S288 PolarHBondContact O-OG 3.31Å
286T39.8Very low38.9Very low92 Ų92100.4 Ų100.456%0.56458%0.584SS**Hα-helixtrans-86.1-17173.5520000113.1S282 A283S282-T286 WeakPolarHBondContact O-CG2 3.39Å; S282-T286 PolarHBondContact O-N 3.17Å; S282-T286 PolarHBondContact O-OG1 2.94Å; A283-T286 WeakPolarHBondContact CA-OG1 3.28Å; A283-T286 PolarHBondContact O-OG1 3.49Å
287N39.5Very low38.4Very low77 Ų7799.7 Ų99.741%0.41259%0.585SS.*THydrogen-bonded Turntrans-92.77.2178.1-76.2-13.3000113.6A283 I284 D289A283-N287 WeakPolarHBondContact O-CB 3.39Å; A283-N287 PolarHBondContact O-N 3.2Å; A283-N287 PolarHBondContact O-ND2 3.01Å; I284-N287 PolarHBondContact O-N 3.26Å; N287-D289 PolarHBondContact O-N 3.43Å
288S37.7Very low37.8Very low95 Ų95100.5 Ų100.566%0.66459%0.593SS**THydrogen-bonded Turntrans-75.8-8.1171.748.90000113.9A285A285-S288 PolarHBondContact O-OG 3.31Å
289D35.8Very low37.3Very low143 Ų14399.7 Ų99.777%0.76560%0.6SS**SBendtrans-100.482.4167.6-81-31.7000110.8N287 A291N287-D289 PolarHBondContact O-N 3.43Å; D289-A291 VanDerWaalsContact C-N 3.3Å; D289-A291 PolarHBondContact O-N 3.37Å
290G29.9Very low36.9Very low87 Ų87100.3 Ų100.390%0.89760%0.599SS**SBendtrans62.5-0.5145.700000121.6
291A32.9Very low36.8Very low58 Ų58100.4 Ų100.448%0.47960%0.6SS.*  trans-115.8113.5-176.400000112.8D289 T293D289-A291 VanDerWaalsContact C-N 3.3Å; D289-A291 PolarHBondContact O-N 3.37Å; A291-T293 PolarHBondContact O-N 3.17Å; A291-T293 VanDerWaalsContact O-N 3.08Å
292Q28.9Very low36.4Very low205 Ų20597.2 Ų97.296%0.95859%0.589SS**  trans-66.298.9167.4-69.9179.52.500109.7
293T34Very low36.3Very low95 Ų9597 Ų9758%0.58359%0.591SS**  trans-132.7115.517020.20000111.4A291 V295A291-T293 PolarHBondContact O-N 3.17Å; A291-T293 VanDerWaalsContact O-N 3.08Å; T293-V295 PolarHBondContact O-N 2.97Å
294L32.9Very low36.8Very low167 Ų167102.2 Ų102.287%0.87461%0.605SS**  trans-10.6106.4175.8-77.582.3000116.3
295V35.2Very low36.9Very low123 Ų123101 Ų10175%0.74560%0.599SS**PPolyproline II helixtrans-58.6126.3154.8176.90000107.4T293 S297T293-V295 PolarHBondContact O-N 2.97Å; V295-S297 PolarHBondContact O-N 3.04Å; V295-S297 VanDerWaalsContact O-N 3.13Å
296P36.6Very low36.8Very low69 Ų69100.4 Ų100.445%0.44859%0.594SS.*PPolyproline II helixtrans-56.9124.2173.622.8-30.9000107.8T298 L301P296-T298 PolarHBondContact O-N 2.83Å; P296-L301 HydrophobicContact CG-CD1 4.43Å
297S37.3Very low37Very low64 Ų6498.8 Ų98.845%0.44859%0.59SS.*PPolyproline II helixtrans-52.1143.9-178.468.50000109.7V295 N299 E300V295-S297 PolarHBondContact O-N 3.04Å; V295-S297 VanDerWaalsContact O-N 3.13Å; S297-N299 PolarHBondContact O-N 2.7Å; S297-E300 PolarHBondContact O-N 3.12Å
298T35.4Very low37.1Very low88 Ų88101.3 Ų101.354%0.5460%0.6SS.*Hα-helixtrans-45.7-25.2178.56.60000113.2P296 T302P296-T298 PolarHBondContact O-N 2.83Å; T298-T302 WeakPolarHBondContact O-CB 3.44Å; T298-T302 PolarHBondContact O-N 3.47Å; T298-T302 PolarHBondContact O-OG1 3.37Å
299N37.9Very low37Very low125 Ų12599.5 Ų99.567%0.66859%0.59SS**Hα-helixtrans-72.4-36.1177.6-65.2-18.8000114S297 A303S297-N299 PolarHBondContact O-N 2.7Å; N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 2.94Å
300E42Very low37.2Very low118 Ų11898.4 Ų98.455%0.55159%0.589SS**Hα-helixtrans-73.2-39.4-179.7-79.9-171.313700112.6S297 A303 K304S297-E300 PolarHBondContact O-N 3.12Å; E300-A303 PolarHBondContact O-N 3.28Å; E300-K304 PolarHBondContact O-N 2.82Å
301L37.5Very low37.6Very low92 Ų9298.1 Ų98.148%0.48258%0.578SS.*Hα-helixtrans-67.7-40.7176.5-139.6100.2000110.7P296 A303 K304 I305P296-L301 HydrophobicContact CG-CD1 4.43Å; L301-A303 VanDerWaalsContact C-N 3.35Å; L301-A303 PolarHBondContact O-N 3.48Å; L301-K304 PolarHBondContact O-N 2.96Å; L301-I305 HydrophobicContact CD2-CD1 4.2Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 3.42Å; L301-I305 PolarHBondContact O-N 3.1Å
302T35.7Very low37.7Very low57 Ų57101.2 Ų101.235%0.3559%0.586SS.*Hα-helixtrans-63.7-40.1175.9-53.90000111.4T298 A306T298-T302 WeakPolarHBondContact O-CB 3.44Å; T298-T302 PolarHBondContact O-N 3.47Å; T298-T302 PolarHBondContact O-OG1 3.37Å; T302-A306 VanDerWaalsContact O-CB 3.3Å; T302-A306 WeakPolarHBondContact O-CB 3.35Å; T302-A306 PolarHBondContact O-N 2.79Å
303A42.5Very low38Very low60 Ų6096.3 Ų96.350%0.49657%0.572SS.*Hα-helixtrans-65.9-40176.200000112.8N299 E300 L301 A306 A307N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 2.94Å; E300-A303 PolarHBondContact O-N 3.28Å; L301-A303 VanDerWaalsContact C-N 3.35Å; L301-A303 PolarHBondContact O-N 3.48Å; A303-A306 PolarHBondContact O-N 2.96Å; A303-A307 WeakPolarHBondContact O-CB 3.26Å; A303-A307 PolarHBondContact O-N 3.44Å
304K45.2Very low38.1Very low153 Ų153103.8 Ų103.867%0.66559%0.59SS**Hα-helixtrans-66.3-41.6176.6-77.3-177.4178.3178.40112.7E300 L301 A307 Q308E300-K304 PolarHBondContact O-N 2.82Å; L301-K304 PolarHBondContact O-N 2.96Å; K304-A307 PolarHBondContact O-N 3.07Å; K304-Q308 PolarHBondContact O-N 3.2Å; K304-Q308 VanDerWaalsContact O-N 3.09Å
305I39.4Very low38.2Very low85 Ų85101.4 Ų101.444%0.43658%0.582SS.*Hα-helixtrans-67.7-41.1177.2-66.1167.1000110.7L301 Q308 A309L301-I305 HydrophobicContact CD2-CD1 4.2Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 3.42Å; L301-I305 PolarHBondContact O-N 3.1Å; I305-Q308 PolarHBondContact O-N 3.41Å; I305-A309 WeakPolarHBondContact O-CB 3.3Å; I305-A309 PolarHBondContact O-N 3.47Å
306A37.1Very low38.3Very low55 Ų55100 Ų10046%0.45558%0.584SS.*Hα-helixtrans-62.6-43.7175.300000111.9T302 A303 Q308 A309 T310T302-A306 VanDerWaalsContact O-CB 3.3Å; T302-A306 WeakPolarHBondContact O-CB 3.35Å; T302-A306 PolarHBondContact O-N 2.79Å; A303-A306 PolarHBondContact O-N 2.96Å; A306-Q308 PolarHBondContact O-N 3.43Å; A306-A309 PolarHBondContact O-N 3.48Å; A306-T310 PolarHBondContact O-N 3.38Å; A306-T310 VanDerWaalsContact O-N 3.12Å; A306-T310 PolarHBondContact O-OG1 2.89Å
307A43.1Very low38.3Very low58 Ų5899.4 Ų99.448%0.47958%0.578SS.*Hα-helixtrans-62.9-40.2178.100000112.8A303 K304 T310 A311A303-A307 WeakPolarHBondContact O-CB 3.26Å; A303-A307 PolarHBondContact O-N 3.44Å; K304-A307 PolarHBondContact O-N 3.07Å; A307-T310 WeakPolarHBondContact CA-OG1 3.49Å; A307-T310 PolarHBondContact O-OG1 2.81Å; A307-A311 PolarHBondContact O-N 3.19Å
308Q43.1Very low38.3Very low131 Ų131100.6 Ų100.661%0.61258%0.583SS**Hα-helixtrans-70-36.3175.5-85.1-179.7-15.500113K304 I305 A306 T310 A311K304-Q308 PolarHBondContact O-N 3.2Å; K304-Q308 VanDerWaalsContact O-N 3.09Å; I305-Q308 PolarHBondContact O-N 3.41Å; A306-Q308 PolarHBondContact O-N 3.43Å; Q308-T310 VanDerWaalsContact C-N 3.34Å; Q308-T310 PolarHBondContact O-N 2.96Å; Q308-A311 PolarHBondContact O-N 3.36Å
309A35.6Very low38.5Very low56 Ų56104.4 Ų104.446%0.46360%0.595SS.*Hα-helixtrans-67.9-32177.100000113I305 A306I305-A309 WeakPolarHBondContact O-CB 3.3Å; I305-A309 PolarHBondContact O-N 3.47Å; A306-A309 PolarHBondContact O-N 3.48Å
310T39.5Very low38.6Very low121 Ų121104.8 Ų104.874%0.74260%0.597SS**Hα-helixtrans-78.4-17.3174.438.40000114.5A306 A307 Q308A306-T310 PolarHBondContact O-N 3.38Å; A306-T310 VanDerWaalsContact O-N 3.12Å; A306-T310 PolarHBondContact O-OG1 2.89Å; A307-T310 WeakPolarHBondContact CA-OG1 3.49Å; A307-T310 PolarHBondContact O-OG1 2.81Å; Q308-T310 VanDerWaalsContact C-N 3.34Å; Q308-T310 PolarHBondContact O-N 2.96Å
311A38.1Very low38.7Very low80 Ų80104.2 Ų104.266%0.66159%0.594SS**THydrogen-bonded Turntrans-87.9-4.5-179.500000114A307 Q308A307-A311 PolarHBondContact O-N 3.19Å; Q308-A311 PolarHBondContact O-N 3.36Å
312L34.3Very low38.6Very low123 Ų123107.5 Ų107.564%0.64460%0.6SS**SBendtrans-71.2122.4174.9-83156000110.2R314L312-R314 PolarHBondContact O-N 3.1Å; L312-R314 VanDerWaalsContact O-N 3.15Å
313P35.4Very low38.8Very low103 Ų103110.7 Ų110.767%0.66961%0.614SS**  trans-63.6118.7179.924-30.9000110T315P313-T315 PolarHBondContact O-N 3.29Å
314R35.9Very low38.8Very low252 Ų252111.6 Ų111.695%0.95162%0.622SS**  trans-72.974.6164-70.7-178.7174.9176.1-0.3108.4L312 A316L312-R314 PolarHBondContact O-N 3.1Å; L312-R314 VanDerWaalsContact O-N 3.15Å; R314-A316 PolarHBondContact O-N 3.4Å; R314-A316 VanDerWaalsContact O-N 3.17Å
315T36.6Very low38.4Very low117 Ų117113.7 Ų113.772%0.71863%0.627SS**  trans-74.6105.9169.332.70000108.8P313 V317P313-T315 PolarHBondContact O-N 3.29Å; T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.08Å
316A35.8Very low38.2Very low94 Ų94113.8 Ų113.878%0.77764%0.635SS**  trans-64.1102.7167.400000108.4R314 T318R314-A316 PolarHBondContact O-N 3.4Å; R314-A316 VanDerWaalsContact O-N 3.17Å; A316-T318 PolarHBondContact O-N 3.16Å
317V36.7Very low38.1Very low55 Ų55117.9 Ų117.933%0.33365%0.65SS.*  trans-64.9116.7171.8176.20000108.1T315 E321T315-V317 PolarHBondContact O-N 3.17Å; T315-V317 VanDerWaalsContact O-N 3.08Å; V317-E321 HydrophobicContact CG1-CB 3.81Å
318T37.6Very low37.5Very low90 Ų90123.7 Ų123.755%0.55267%0.667SS**  trans-66152.9176.948.70000110.4A316 D320 E321A316-T318 PolarHBondContact O-N 3.16Å; T318-D320 PolarHBondContact O-N 3.26Å; T318-D320 VanDerWaalsContact O-N 3.16Å; T318-E321 PolarHBondContact O-N 3.22Å; T318-E321 VanDerWaalsContact O-N 3.17Å
319Q38.7Very low36.9Very low168 Ų168123 Ų12379%0.78567%0.674SS**THydrogen-bonded Turntrans-64.1-21.2-172.8-151.4166.5-9.500112.9R322Q319-R322 WeakPolarHBondContact O-CB 3.15Å; Q319-R322 PolarHBondContact O-N 3.23Å
320D40.7Very low36.7Very low133 Ų133125.5 Ų125.571%0.71169%0.688SS**THydrogen-bonded Turntrans-72.9-34.4175-83.5-47.9000113.8T318 R322 L323T318-D320 PolarHBondContact O-N 3.26Å; T318-D320 VanDerWaalsContact O-N 3.16Å; D320-R322 PolarHBondContact O-N 3.31Å; D320-L323 PolarHBondContact O-N 3.27Å
321E43.4Very low36.1Very low106 Ų106126.3 Ų126.350%0.49569%0.693SS.*Hα-helixtrans-68.9-21174.1-77.9-176.1142.500111.8V317 T318 L323 Y325V317-E321 HydrophobicContact CG1-CB 3.81Å; T318-E321 PolarHBondContact O-N 3.22Å; T318-E321 VanDerWaalsContact O-N 3.17Å; E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 3.24Å; E321-Y325 WeakPolarHBondContact O-CD2 3.18Å
322R36.7Very low35.6Very low160 Ų160131.2 Ų131.260%0.60470%0.7SS**Hα-helixtrans-70.6-24.1175.6-74.1-175168.2-156.4-6.2113.7Q319 D320Q319-R322 WeakPolarHBondContact O-CB 3.15Å; Q319-R322 PolarHBondContact O-N 3.23Å; D320-R322 PolarHBondContact O-N 3.31Å
323L40.1Very low35.3Very low124 Ų124131.8 Ų131.865%0.64970%0.703SS**Hα-helixtrans-86-25.7-178.5-76.9159.9000112.5D320 E321 Y325D320-L323 PolarHBondContact O-N 3.27Å; E321-L323 VanDerWaalsContact C-N 3.31Å; E321-L323 PolarHBondContact O-N 3.24Å; L323-Y325 PolarHBondContact O-N 2.71Å
324A40.9Very low35.1Very low80 Ų80133 Ų13366%0.66170%0.704SS**Hα-helixtrans-72.6-25.6179.600000114
325Y37.3Very low34.9Very low196 Ų196126.8 Ų126.877%0.76969%0.689SS**THydrogen-bonded Turntrans-94.20.9-178.5-73-81.4000114.5E321 L323 N327E321-Y325 WeakPolarHBondContact O-CD2 3.18Å; L323-Y325 PolarHBondContact O-N 2.71Å; Y325-N327 VanDerWaalsContact C-N 3.33Å; Y325-N327 PolarHBondContact O-N 3.06Å
326S36.2Very low34.6Very low87 Ų87128 Ų12861%0.60869%0.69SS**THydrogen-bonded Turntrans-77.9-9.3-176.6-179.40000114.7
327N33.5Very low34.5Very low142 Ų142129.3 Ų129.376%0.75968%0.683SS**THydrogen-bonded Turntrans-121.519.1-165.9-75.5-20000115.5Y325Y325-N327 VanDerWaalsContact C-N 3.33Å; Y325-N327 PolarHBondContact O-N 3.06Å
328Q31Very low34.3Very low180 Ų180130.5 Ų130.584%0.84170%0.699SS**  trans-106.3120.6170.6-77.8-158.3-16.800112.1S330Q328-S330 PolarHBondContact O-N 3.45Å
329P30.3Very low34.1Very low116 Ų116133.1 Ų133.175%0.75371%0.709SS**  trans-70.5119.9174.127.5-30.3000109.9T331P329-T331 PolarHBondContact O-N 2.87Å; P329-T331 VanDerWaalsContact O-N 3.1Å
330S31Very low34Very low109 Ų109129.1 Ų129.176%0.76270%0.704SS**  trans-69.597.5171.854.90000110.3Q328 F332Q328-S330 PolarHBondContact O-N 3.45Å; S330-F332 PolarHBondContact O-N 2.99Å
331T28.3Very low33.7Very low138 Ų138130.1 Ų130.185%0.84770%0.704SS**  trans-79.774.4165.938.50000109.8P329 N333P329-T331 PolarHBondContact O-N 2.87Å; P329-T331 VanDerWaalsContact O-N 3.1Å; T331-N333 PolarHBondContact O-N 3.18Å
332F28Very low33Very low183 Ų183128.8 Ų128.880%0.80372%0.718SS**  trans-81.5100.1160.7-112.9-91.3000107.4S330 L334S330-F332 PolarHBondContact O-N 2.99Å; F332-L334 PolarHBondContact O-N 3.41Å; F332-L334 VanDerWaalsContact O-N 3.12Å
333N27.6Very low32.9Very low134 Ų134130.5 Ų130.572%0.71773%0.73SS**  trans-76.698.6176.9-142.1-20.9000108.4T331 D335T331-N333 PolarHBondContact O-N 3.18Å; N333-D335 PolarHBondContact O-N 2.85Å
334L31.2Very low32.6Very low130 Ų130130.1 Ų130.168%0.68174%0.736SS**G310 helixtrans-75.22.4-177.2-95.2148.2000113.8F332 L336F332-L334 PolarHBondContact O-N 3.41Å; F332-L334 VanDerWaalsContact O-N 3.12Å; L334-L336 PolarHBondContact O-N 2.92Å
335D30.2Very low32.2Very low120 Ų120133.6 Ų133.664%0.64274%0.743SS**G310 helixtrans-79.4-8.6-171.5-75.9-23.2000115.5N333N333-D335 PolarHBondContact O-N 2.85Å
336L31.6Very low32.3Very low143 Ų143133.4 Ų133.475%0.74975%0.749SS**G310 helixtrans-90.5-6.4-179.2-99.4154.1000115.1L334L334-L336 PolarHBondContact O-N 2.92Å
337I34.2Very low32.4Very low122 Ų122140.3 Ų140.363%0.62676%0.762SS**SBendtrans-86.9-17.4174-61.2176.6000111.3L339I337-L339 VanDerWaalsContact C-N 3.34Å
338A31.9Very low32.7Very low80 Ų80138 Ų13866%0.66176%0.757SS**SBendtrans-77.5-16.3174.400000113.8
339L32.4Very low33.3Very low145 Ų145138.4 Ų138.476%0.75976%0.759SS**SBendtrans-93.7-12.2-178.8-91.7145.6000114.3I337I337-L339 VanDerWaalsContact C-N 3.34Å
340A37.2Very low34.3Very low83 Ų83142.2 Ų142.269%0.68679%0.788SS**SBendtrans-90.8-10.7178.200000113.8
341H34.6Very low34.4Very low155 Ų155143.9 Ų143.972%0.71879%0.789SS**  trans-104.475.2172.3-72.3-65.7000110.5K343H341-K343 PolarHBondContact O-N 3.25Å
342G29.3Very low34.7Very low77 Ų77144.2 Ų144.279%0.79479%0.786SS**  trans-61.194.5165.600000110.8
343K34.3Very low35.1Very low196 Ų196142 Ų14285%0.85279%0.785SS**  trans-93.4124.7155.3-90.1-173175.6179.40108.6H341H341-K343 PolarHBondContact O-N 3.25Å
344P33.9Very low35.6Very low117 Ų117142.5 Ų142.576%0.7679%0.789SS**  trans-80142.5174.533.2-31.1000110.4
345N31.3Very low35.8Very low153 Ų153143.3 Ų143.382%0.81880%0.796SS**  trans42.3113.5139.9-106.4-9.5000119.1
346Q39.9Very low36.2Very low192 Ų192144.8 Ų144.890%0.89781%0.806SS**  -159102.5123.9-67.4-156.92.200106.5
347R39.5Very low36.5Very low231 Ų231144.9 Ų144.987%0.87281%0.81SS**  59.512388.2-133.9-177.7-165.3176.73.2113.9
348S38.7Very low36.7Very low94 Ų94146.7 Ų146.766%0.65783%0.825SS**  trans103.2102.5147.3-52.40000118.6
349Q44.7Very low37.1Very low189 Ų189152.3 Ų152.388%0.88384%0.838SS**  53.8104.8120.5-65.3-177.4-13.200118.9
350S49.6Very low37.5Very low195 Ų195152.9 Ų152.9100%1.36485%0.846SS**  -167.20115.856.60000109.3

Retrieved 350 of 350 residues in 153.8 ms (Link to these results)