A0A3B3TTY0_9TELE Loading...

Ninjurin 1

AlphaFold DB , UniProt , Accession A0A3B3TTY0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 150 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
1M42.2Very low53.9Low250 Ų250152.9 Ų152.9100%1.23283%0.829SS**  0116.10-101.4169164.900107.6
2A54.4Low53.9Low92 Ų92147.2 Ų147.276%0.7682%0.818SS**  trans-83.9153.1168.100000109.4
3T52.4Low53.4Low118 Ų118145.4 Ų145.472%0.72481%0.806SS**  trans-180111.1140.727.90000108.5
4E55.3Low53.2Low166 Ų166149.8 Ų149.878%0.77680%0.804SS**  92.2102.6108.8-77.7-178.9108.600112.2
5S59.8Low53Low97 Ų97143.7 Ų143.768%0.67879%0.791SS**  60.510179.674.20000114.3
6I64.5Low53Low168 Ų168144.6 Ų144.686%0.86279%0.794SS**  trans-152.7135.3140.7-149.368.2000112
7R51.3Low52.6Low226 Ų226148.1 Ų148.185%0.85380%0.803SS**  trans-69.2153.5177.3-57.7169.9165-175.6-6.3109.8
8M55.7Low52.6Low191 Ų191146.2 Ų146.294%0.94181%0.811SS**  178.1135.8104.9-108.1162.5152.500112.9
9N54.9Low52.5Low157 Ų157141.7 Ų141.784%0.8480%0.802SS**  trans-58.2153.2169.9179.362.8000113.6
10G51.7Low52.3Low60 Ų60144.4 Ų144.462%0.61981%0.807SS**  trans149.686.6165.600000110.3
11D50.9Low52Low157 Ų157146.8 Ų146.884%0.8481%0.81SS**  80.7144.394-105.5-44.2000113.9
12A53.7Low52.2Low84 Ų84142.5 Ų142.569%0.69479%0.786SS**  trans86.2107.1162.300000118.3
13D47.3Very low51.9Low124 Ų124149.4 Ų149.466%0.66379%0.793SS**  71.8131.4121.3-131.739.4000115.4
14R50.2Low51.4Low207 Ų207152 Ų15278%0.78180%0.797SS**  cis176.7143.215.3-156.1-176.8-170.2101.8-3.5105.6
15G51.1Low50.6Low58 Ų58149.6 Ų149.660%0.59879%0.789SS**  trans65.3125.1156.600000115.1
16D52.6Low49.9Very low159 Ų159155.4 Ų155.485%0.8580%0.796SS**  cis-167.7100.846.5-70.3-49.5000107.7
17E46.7Very low49.1Very low203 Ų203154.9 Ų154.995%0.94979%0.793SS**  trans-127.436.6168-67.9-157.2127.300111.5G19E17-G19 VanDerWaalsContact C-N 3.32Å; E17-G19 PolarHBondContact O-N 2.96Å
18A52.3Low48.9Very low114 Ų114150.1 Ų150.194%0.94278%0.782SS**  trans-89.569.2169.100000110
19G50.5Low48.5Very low62 Ų62152.4 Ų152.464%0.63978%0.781SS**SBendtrans-123.2-48.9-17300000116.9E17E17-G19 VanDerWaalsContact C-N 3.32Å; E17-G19 PolarHBondContact O-N 2.96Å
20E48.1Very low48.1Very low194 Ų194156.6 Ų156.691%0.90779%0.785SS**SBendtrans-140.430.2-159.9-72-163.4114.200116.1
21F45.6Very low47.8Very low196 Ų196162.9 Ų162.986%0.8679%0.79SS**SBendtrans-118.527.8167.8-132.6-94000113.8
22H47Very low47.9Very low159 Ų159157.8 Ų157.874%0.73677%0.774SS**  trans-126.139.8-173.7-120.1-108.1000113.9
23R47.8Very low47.5Very low237 Ų237159.7 Ų159.789%0.89478%0.779SS**SBendtrans-122.33.2169.5-133.8-178.3178.2-173.9-0.2116.1
24E41.8Very low47.6Very low173 Ų173160.7 Ų160.781%0.80878%0.784SS**SBendtrans-119.810177.2-146.5172.6127.100114.2
25N39.2Very low47.8Very low115 Ų115156.7 Ų156.762%0.61578%0.778SS**SBendtrans-102.714.1172.8-95.4-33.1000113.9
26R44.7Very low47.7Very low220 Ų220161.1 Ų161.183%0.8379%0.785SS**SBendtrans-95.31.6177.9-135.1-172.4-70.1-124.23.1114.4
27I47.3Very low47.7Very low156 Ų156155.4 Ų155.480%0.875%0.754SS**SBendtrans-99.9-14.4178.5-55.3-177.6000111.9
28M48.8Very low47.9Very low126 Ų126151.2 Ų151.262%0.62173%0.734SS**SBendtrans-113.528.1-168.9-132.3158.8174.300114.7
29R46Very low47.6Very low240 Ų240155.4 Ų155.491%0.90673%0.727SS**SBendtrans-120.924.7172.2-98.8-172.3167.1174.3-2.2114.6
30R46Very low47.6Very low245 Ų245155 Ų15593%0.92572%0.718SS**  trans-123.728.4163-74.7-163.7-173.9-154.74113G32R30-G32 VanDerWaalsContact C-N 3.27Å; R30-G32 PolarHBondContact O-N 2.99Å
31R46.1Very low47.7Very low192 Ų192149.2 Ų149.273%0.72569%0.693SS**  trans-87.383.9155.1-73-177.3179.9177.5-0106.3
32G53.8Low47.8Very low49 Ų49146.2 Ų146.251%0.50568%0.68SS.*  trans-51.2159.5154.200000109R30 L34R30-G32 VanDerWaalsContact C-N 3.27Å; R30-G32 PolarHBondContact O-N 2.99Å; G32-L34 PolarHBondContact O-N 3.27Å; G32-L34 VanDerWaalsContact O-N 3.11Å
33P45.8Very low47.9Very low124 Ų124145.8 Ų145.881%0.80568%0.676SS**SBendtrans-45127.5-177.321.5-32.6000108.4N35P33-N35 PolarHBondContact O-N 3.41Å
34L47.9Very low48.1Very low145 Ų145136.8 Ų136.876%0.75965%0.649SS**  trans-45.4110-179.4-77.6172.9000107.6G32 M36G32-L34 PolarHBondContact O-N 3.27Å; G32-L34 VanDerWaalsContact O-N 3.11Å; L34-M36 PolarHBondContact O-N 3.38Å
35N54.3Low48.7Very low124 Ų124131.5 Ų131.566%0.66364%0.635SS**  trans-66.978.7177.3-104-22.7000107.2P33 N37 H38P33-N35 PolarHBondContact O-N 3.41Å; N35-N37 PolarHBondContact O-N 2.87Å; N35-N37 VanDerWaalsContact O-N 3.1Å; N35-H38 PolarHBondContact O-N 3.03Å
36M50.5Low49.6Very low150 Ų150129 Ų12974%0.73963%0.63SS**THydrogen-bonded Turntrans-54.8-22.9171.9-163.37074.500110.3L34 H38L34-M36 PolarHBondContact O-N 3.38Å; M36-H38 VanDerWaalsContact C-N 3.3Å; M36-H38 PolarHBondContact O-N 3.33Å
37N51.4Low50.2Low40 Ų40121.6 Ų121.621%0.21461%0.605CS.*Hα-helixtrans-64.3-18.9171.8-103.611.7000115.9N35 N41 E107N35-N37 PolarHBondContact O-N 2.87Å; N35-N37 VanDerWaalsContact O-N 3.1Å; N37-N41 WeakPolarHBondContact O-CB 3.41Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 2.68Å; N37-E107 VanDerWaalsContact CG-CD 3.48Å; N37-E107 PolarHBondContact ND2-OE1 2.83Å; N37-E107 PolarHBondContact ND2-OE2 3.26Å; N37-E107 PolarHBondContact OD1-OE1 3.35Å
38H51.3Low50.9Low114 Ų114116.2 Ų116.253%0.52858%0.581SS.*Hα-helixtrans-79.7-22.4-179-159.174.2000113.6N35 M36 K42N35-H38 PolarHBondContact O-N 3.03Å; M36-H38 VanDerWaalsContact C-N 3.3Å; M36-H38 PolarHBondContact O-N 3.33Å; H38-K42 WeakPolarHBondContact NE2-CE 3.48Å; H38-K42 PolarHBondContact NE2-NZ 2.94Å; H38-K42 WeakPolarHBondContact O-CG 3.2Å
39Y46.3Very low51.9Low203 Ų203117 Ų11780%0.79659%0.585SS**Hα-helixtrans-91.4-38.3175.5-114.6-94.4000111.8K43Y39-K43 PolarHBondContact O-N 3.48Å
40A50.7Low52.8Low54 Ų54110.5 Ų110.545%0.44657%0.568SS.*Hα-helixtrans-65.1-45173.700000111.7K42 K43 S44A40-K42 PolarHBondContact O-N 3.27Å; A40-K43 PolarHBondContact O-N 3.41Å; A40-S44 WeakPolarHBondContact O-CB 3.33Å; A40-S44 PolarHBondContact O-N 3.28Å
41N49.7Very low54Low71 Ų71100.4 Ų100.438%0.3853%0.532SS..Hα-helixtrans-70.6-28.7-179.5-74.94.3000113.7N37 A45N37-N41 WeakPolarHBondContact O-CB 3.41Å; N37-N41 VanDerWaalsContact O-CG 3.26Å; N37-N41 PolarHBondContact O-N 2.68Å; N41-A45 WeakPolarHBondContact O-CB 3.45Å; N41-A45 PolarHBondContact O-N 3.13Å
42K46.6Very low54.9Low133 Ų13394.5 Ų94.558%0.57852%0.517SS*.Hα-helixtrans-72-35.3176.8-83.9-178.4164.4175.50112.5H38 A40 A46H38-K42 WeakPolarHBondContact NE2-CE 3.48Å; H38-K42 PolarHBondContact NE2-NZ 2.94Å; H38-K42 WeakPolarHBondContact O-CG 3.2Å; A40-K42 PolarHBondContact O-N 3.27Å; K42-A46 WeakPolarHBondContact O-CB 3.38Å; K42-A46 PolarHBondContact O-N 2.98Å
43K49.2Very low55.7Low151 Ų15194.9 Ų94.966%0.65752%0.516SS*.Hα-helixtrans-70.7-49.8175-164.2-178.4177.8-157.10110.5Y39 A40 A45 A46 E47Y39-K43 PolarHBondContact O-N 3.48Å; A40-K43 PolarHBondContact O-N 3.41Å; K43-A45 PolarHBondContact O-N 3.42Å; K43-A46 PolarHBondContact O-N 3.33Å; K43-E47 WeakPolarHBondContact O-CB 3.33Å; K43-E47 PolarHBondContact O-N 3.03Å
44S53Low56.6Low47 Ų4792.5 Ų92.533%0.32950%0.496SS..Hα-helixtrans-63-36.2178.7-171.50000113.2A40 S48A40-S44 WeakPolarHBondContact O-CB 3.33Å; A40-S44 PolarHBondContact O-N 3.28Å; S44-S48 WeakPolarHBondContact O-CB 3.48Å; S44-S48 PolarHBondContact O-N 3.25Å
45A53.8Low57.3Low62 Ų6288.1 Ų88.151%0.51247%0.473SS..Hα-helixtrans-69.9-40.7176.900000113.1N41 K43 M49N41-A45 WeakPolarHBondContact O-CB 3.45Å; N41-A45 PolarHBondContact O-N 3.13Å; K43-A45 PolarHBondContact O-N 3.42Å; A45-M49 WeakPolarHBondContact O-CB 3.38Å; A45-M49 PolarHBondContact O-N 3.41Å
46A58.8Low58.1Low62 Ų6288.6 Ų88.651%0.51247%0.473SS..Hα-helixtrans-70.6-39.117700000111.7K42 K43 M49 L50K42-A46 WeakPolarHBondContact O-CB 3.38Å; K42-A46 PolarHBondContact O-N 2.98Å; K43-A46 PolarHBondContact O-N 3.33Å; A46-M49 PolarHBondContact O-N 2.95Å; A46-L50 PolarHBondContact O-N 3.41Å
47E57.7Low58.8Low66 Ų6683.6 Ų83.631%0.30846%0.456SS..Hα-helixtrans-62-48.5174.2-170.6160.9-173.100110.9K43 M49 L50 D51 M121K43-E47 WeakPolarHBondContact O-CB 3.33Å; K43-E47 PolarHBondContact O-N 3.03Å; E47-M49 VanDerWaalsContact C-N 3.35Å; E47-M49 PolarHBondContact O-N 3.5Å; E47-L50 PolarHBondContact O-N 3Å; E47-D51 PolarHBondContact O-N 3.19Å; E47-M121 VanDerWaalsContact OE1-SD 3.4Å
48S62.2Low59.4Low42 Ų4283.2 Ų83.229%0.29445%0.453SS..Hα-helixtrans-64.2-34.8174.2179.90000113.3S44 D51 V52S44-S48 WeakPolarHBondContact O-CB 3.48Å; S44-S48 PolarHBondContact O-N 3.25Å; S48-D51 PolarHBondContact O-N 3.48Å; S48-V52 VanDerWaalsContact O-CG2 3.29Å; S48-V52 WeakPolarHBondContact O-CG2 3.2Å; S48-V52 PolarHBondContact O-N 3.35Å
49M68.5Low59.8Low142 Ų14279.2 Ų79.270%0.744%0.44SS*.Hα-helixtrans-69.2-37.4178.7-176.1176.8-177.500112.2A45 A46 E47 D51 V52 A53A45-M49 WeakPolarHBondContact O-CB 3.38Å; A45-M49 PolarHBondContact O-N 3.41Å; A46-M49 PolarHBondContact O-N 2.95Å; E47-M49 VanDerWaalsContact C-N 3.35Å; E47-M49 PolarHBondContact O-N 3.5Å; M49-D51 VanDerWaalsContact C-N 3.32Å; M49-V52 PolarHBondContact O-N 2.73Å; M49-A53 VanDerWaalsContact O-CB 3.25Å; M49-A53 WeakPolarHBondContact O-CB 3.15Å; M49-A53 PolarHBondContact O-N 3.32Å
50L66.2Low60.4Low104 Ų10473.2 Ų73.255%0.54543%0.428SS..Hα-helixtrans-63.5-41.8175.9-178.6138.4000110.8A46 E47 A53 L54A46-L50 PolarHBondContact O-N 3.41Å; E47-L50 PolarHBondContact O-N 3Å; L50-A53 PolarHBondContact O-N 3.42Å; L50-L54 HydrophobicContact CD2-CD1 3.61Å; L50-L54 HydrophobicContact CG-CD1 4.26Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 WeakPolarHBondContact O-CG 3.3Å; L50-L54 PolarHBondContact O-N 2.86Å
51D69.6Low60.7Low33 Ų3375 Ų7518%0.17643%0.427CS..Hα-helixtrans-68.5-40.2179.6-67.5-23.5000112.4E47 S48 M49 L54 L55 I124E47-D51 PolarHBondContact O-N 3.19Å; S48-D51 PolarHBondContact O-N 3.48Å; M49-D51 VanDerWaalsContact C-N 3.32Å; D51-L54 PolarHBondContact O-N 3.28Å; D51-L55 VanDerWaalsContact O-CB 3.22Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 2.94Å; D51-I124 HydrophobicContact CB-CD1 3.87Å; D51-I124 HydrophobicContact CB-CG2 4Å; D51-I124 VanDerWaalsContact OD2-CD1 3.24Å; D51-I124 WeakPolarHBondContact OD2-CD1 3.23Å
52V65.9Low61.1Low68 Ų6872.9 Ų72.941%0.41242%0.416SS..Hα-helixtrans-68.2-38.8175.3173.70000111.4S48 M49 L55 M56S48-V52 VanDerWaalsContact O-CG2 3.29Å; S48-V52 WeakPolarHBondContact O-CG2 3.2Å; S48-V52 PolarHBondContact O-N 3.35Å; M49-V52 PolarHBondContact O-N 2.73Å; V52-L55 WeakPolarHBondContact O-CB 3.37Å; V52-L55 PolarHBondContact O-N 3.36Å; V52-M56 WeakPolarHBondContact O-CB 3.38Å; V52-M56 PolarHBondContact O-N 3.46Å
53A70.3Confident61.6Low58 Ų5872.7 Ų72.748%0.47942%0.415SS..Hα-helixtrans-65.2-42.2176.500000111.5M49 L50 M56 A57M49-A53 VanDerWaalsContact O-CB 3.25Å; M49-A53 WeakPolarHBondContact O-CB 3.15Å; M49-A53 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3.42Å; A53-M56 PolarHBondContact O-N 2.96Å; A53-A57 VanDerWaalsContact O-CB 3.31Å; A53-A57 WeakPolarHBondContact O-CB 3.18Å; A53-A57 PolarHBondContact O-N 2.95Å
54L64.3Low62.2Low74 Ų7467.8 Ų67.839%0.38740%0.402SS..Hα-helixtrans-64.9-42173.2-74.8171.4000111.2L50 D51 M56 A57 N58L50-L54 HydrophobicContact CD2-CD1 3.61Å; L50-L54 HydrophobicContact CG-CD1 4.26Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 WeakPolarHBondContact O-CG 3.3Å; L50-L54 PolarHBondContact O-N 2.86Å; D51-L54 PolarHBondContact O-N 3.28Å; L54-M56 PolarHBondContact O-N 3.49Å; L54-A57 PolarHBondContact O-N 3.5Å; L54-N58 WeakPolarHBondContact O-CB 2.96Å; L54-N58 PolarHBondContact O-N 3.46Å; L54-N58 PolarHBondContact O-ND2 2.82Å
55L63.6Low62.3Low52 Ų5268.3 Ų68.327%0.27240%0.403SS..Hα-helixtrans-59-45.4175.2-169.8152.3000111.7D51 V52 N58 A59 Q89D51-L55 VanDerWaalsContact O-CB 3.22Å; D51-L55 WeakPolarHBondContact O-CB 3.38Å; D51-L55 PolarHBondContact O-N 2.94Å; V52-L55 WeakPolarHBondContact O-CB 3.37Å; V52-L55 PolarHBondContact O-N 3.36Å; L55-N58 PolarHBondContact O-N 3.37Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 3.45Å; L55-Q89 HydrophobicContact CD1-CB 3.98Å; L55-Q89 HydrophobicContact CD1-CG 3.59Å; L55-Q89 HydrophobicContact CD2-CB 4.38Å; L55-Q89 HydrophobicContact CD2-CG 4.22Å; L55-Q89 HydrophobicContact CG-CB 4.33Å; L55-Q89 HydrophobicContact CG-CG 3.72Å
56M69.8Low62.2Low134 Ų13470 Ų7066%0.6640%0.403SS*.Hα-helixtrans-69.7-40.7179.4-173.9175.5-76.500112.5V52 A53 L54 N58 A59 S60V52-M56 WeakPolarHBondContact O-CB 3.38Å; V52-M56 PolarHBondContact O-N 3.46Å; A53-M56 PolarHBondContact O-N 2.96Å; L54-M56 PolarHBondContact O-N 3.49Å; M56-N58 VanDerWaalsContact C-N 3.33Å; M56-A59 PolarHBondContact O-N 3.06Å; M56-S60 PolarHBondContact O-N 3.29Å
57A65.2Low61.9Low46 Ų4673.6 Ų73.638%0.3841%0.409SS..Hα-helixtrans-63.2-41.3173.800000111.4A53 L54 S60 Q61A53-A57 VanDerWaalsContact O-CB 3.31Å; A53-A57 WeakPolarHBondContact O-CB 3.18Å; A53-A57 PolarHBondContact O-N 2.95Å; L54-A57 PolarHBondContact O-N 3.5Å; A57-S60 PolarHBondContact O-N 2.93Å; A57-Q61 WeakPolarHBondContact O-CG 3.43Å; A57-Q61 PolarHBondContact O-N 3.34Å; A57-Q61 VanDerWaalsContact O-N 3.09Å
58N64.6Low61.6Low31 Ų3177.3 Ų77.317%0.16643%0.426CS..Hα-helixtrans-67.4-36.6176.4-66.8-28.1000111.7L54 L55 M56 Q61 L62 N131L54-N58 WeakPolarHBondContact O-CB 2.96Å; L54-N58 PolarHBondContact O-N 3.46Å; L54-N58 PolarHBondContact O-ND2 2.82Å; L55-N58 PolarHBondContact O-N 3.37Å; M56-N58 VanDerWaalsContact C-N 3.33Å; N58-Q61 PolarHBondContact O-N 2.95Å; N58-L62 WeakPolarHBondContact O-CB 3.25Å; N58-L62 PolarHBondContact O-N 3.26Å; N58-N131 HydrophobicContact CB-CB 4.46Å; N58-N131 WeakPolarHBondContact CB-ND2 3.35Å; N58-N131 PolarHBondContact ND2-ND2 2.9Å; N58-N131 VanDerWaalsContact ND2-ND2 3.15Å
59A59.1Low61.1Low31 Ų3177.1 Ų77.126%0.25643%0.432SS..Hα-helixtrans-67.5-37.2174.700000112.7L55 M56 L62 K63L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 3.45Å; M56-A59 PolarHBondContact O-N 3.06Å; A59-L62 WeakPolarHBondContact O-CB 3.03Å; A59-L62 PolarHBondContact O-N 2.92Å; A59-K63 PolarHBondContact O-N 3.15Å
60S60.5Low60.3Low77 Ų7776 Ų7654%0.53843%0.434SS..Hα-helixtrans-68.1-39.2175.4-170.30000112.1M56 A57 L62 K63 A64M56-S60 PolarHBondContact O-N 3.29Å; A57-S60 PolarHBondContact O-N 2.93Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-K63 PolarHBondContact O-N 3.3Å; S60-A64 PolarHBondContact O-N 3.06Å; S60-A64 VanDerWaalsContact O-N 3.08Å
61Q56.3Low59.6Low91 Ų9175.2 Ų75.243%0.42544%0.438SS..Hα-helixtrans-63-42.6173.2-73.8176.254.700111.1A57 N58 K63 A64 V65A57-Q61 WeakPolarHBondContact O-CG 3.43Å; A57-Q61 PolarHBondContact O-N 3.34Å; A57-Q61 VanDerWaalsContact O-N 3.09Å; N58-Q61 PolarHBondContact O-N 2.95Å; Q61-K63 PolarHBondContact O-N 3.34Å; Q61-A64 PolarHBondContact O-N 3.47Å; Q61-V65 WeakPolarHBondContact O-CG2 3.27Å; Q61-V65 PolarHBondContact O-N 2.69Å; Q61-V65 VanDerWaalsContact O-N 3.08Å
62L58.2Low58.6Low27 Ų2780.7 Ų80.714%0.14146%0.46CS..Hα-helixtrans-56.9-48.3172.6134.945.8000111.3N58 A59 S60 A64 V65 L66 L82 L86N58-L62 WeakPolarHBondContact O-CB 3.25Å; N58-L62 PolarHBondContact O-N 3.26Å; A59-L62 WeakPolarHBondContact O-CB 3.03Å; A59-L62 PolarHBondContact O-N 2.92Å; S60-L62 VanDerWaalsContact C-N 3.33Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.11Å; L62-V65 PolarHBondContact O-N 3.43Å; L62-L66 PolarHBondContact O-N 3.38Å; L62-L82 HydrophobicContact CB-CD1 4.38Å; L62-L82 HydrophobicContact CB-CG 4.1Å; L62-L82 HydrophobicContact CD1-CD1 3.8Å; L62-L82 HydrophobicContact CD1-CD2 3.02Å; L62-L82 HydrophobicContact CD1-CG 3.47Å; L62-L82 VanDerWaalsContact CD1-CG 3.47Å; L62-L82 HydrophobicContact CD2-CD2 3.55Å; L62-L82 HydrophobicContact CD2-CG 3.74Å; L62-L82 HydrophobicContact CG-CD1 4.5Å; L62-L82 HydrophobicContact CG-CD2 3.81Å; L62-L82 HydrophobicContact CG-CG 3.93Å; L62-L86 HydrophobicContact CD2-CD1 4.01Å
63K57.7Low58.1Low129 Ų12983.6 Ų83.656%0.56148%0.479SS*.Hα-helixtrans-59.1-44179.5-171.9-170175.7-141.10111.7A59 S60 Q61 V65 L66 E67A59-K63 PolarHBondContact O-N 3.15Å; S60-K63 PolarHBondContact O-N 3.3Å; Q61-K63 PolarHBondContact O-N 3.34Å; K63-V65 VanDerWaalsContact C-N 3.33Å; K63-V65 PolarHBondContact O-N 2.97Å; K63-L66 PolarHBondContact O-N 3.16Å; K63-E67 PolarHBondContact O-N 3.32Å
64A61Low57.4Low47 Ų4787.7 Ų87.739%0.38849%0.486SS..Hα-helixtrans-65.4-35179.700000112.8S60 Q61 L62 H68S60-A64 PolarHBondContact O-N 3.06Å; S60-A64 VanDerWaalsContact O-N 3.08Å; Q61-A64 PolarHBondContact O-N 3.47Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.11Å; A64-H68 PolarHBondContact O-ND1 3.44Å
65V54.1Low57.1Low58 Ų5886.9 Ų86.935%0.35248%0.478SS..Hα-helixtrans-70.8-37.2174.9172.50000111.5Q61 L62 K63 H68 Y75Q61-V65 WeakPolarHBondContact O-CG2 3.27Å; Q61-V65 PolarHBondContact O-N 2.69Å; Q61-V65 VanDerWaalsContact O-N 3.08Å; L62-V65 PolarHBondContact O-N 3.43Å; K63-V65 VanDerWaalsContact C-N 3.33Å; K63-V65 PolarHBondContact O-N 2.97Å; V65-H68 PolarHBondContact O-N 2.88Å; V65-Y75 PolarHBondContact O-OH 2.86Å
66L52.5Low56.8Low99 Ų9989.5 Ų89.552%0.51850%0.496SS..Hα-helixtrans-67.8-33.9176.9-163.578.1000112.6L62 K63 H68L62-L66 PolarHBondContact O-N 3.38Å; K63-L66 PolarHBondContact O-N 3.16Å; L66-H68 PolarHBondContact O-N 2.98Å
67E53.1Low56.3Low136 Ų13686.2 Ų86.264%0.63649%0.485SS*.THydrogen-bonded Turntrans-66.5-18178.7-114.8165.2168.500113.5K63K63-E67 PolarHBondContact O-N 3.32Å
68H51.5Low56.2Low144 Ų14485.1 Ų85.167%0.66747%0.472SS*.THydrogen-bonded Turntrans-101.219.9-174.4-77.283.4000115A64 V65 L66A64-H68 PolarHBondContact O-ND1 3.44Å; V65-H68 PolarHBondContact O-N 2.88Å; L66-H68 PolarHBondContact O-N 2.98Å
69G51.1Low56.3Low39 Ų3987.1 Ų87.140%0.40248%0.482SS..  trans-69.2150.317400000112Y75G69-Y75 VanDerWaalsContact CA-CZ 3.45Å; G69-Y75 WeakPolarHBondContact CA-OH 3.42Å; G69-Y75 PolarHBondContact N-OH 3.27Å
70P52.8Low56.6Low117 Ų11789.1 Ų89.176%0.7649%0.492SS*.SBendcis-133.8136.3-0.335.2-16.1000114.4
71S50Low57Low89 Ų8988.3 Ų88.362%0.62248%0.481SS*.SBendtrans-165.415.2160.749.10000118.3
72F49.7Very low57.7Low147 Ų14784.7 Ų84.765%0.64546%0.464SS*.  trans-148.2147.4176.1-77.5-76.3000116.7F74 Y75F72-F74 PolarHBondContact O-N 2.87Å; F72-Y75 WeakPolarHBondContact O-CB 3.29Å; F72-Y75 PolarHBondContact O-N 3.38Å; F72-Y75 VanDerWaalsContact O-N 3.13Å
73T54.1Low58.4Low130 Ų13086.1 Ų86.180%0.79848%0.477SS*.THydrogen-bonded Turntrans-49.8-17.5-176.6-54.80000116.6Y75T73-Y75 VanDerWaalsContact C-N 3.35Å
74F56.4Low59.1Low144 Ų14483.8 Ų83.863%0.63247%0.469SS*.THydrogen-bonded Turntrans-87.92.5178.9-72.3-83.5000114.4F72 V76 P77 L78F72-F74 PolarHBondContact O-N 2.87Å; F74-V76 VanDerWaalsContact C-N 3.35Å; F74-V76 PolarHBondContact O-N 3.32Å; F74-P77 WeakPolarHBondContact O-CD 3.43Å; F74-L78 HydrophobicContact CB-CD1 4.34Å; F74-L78 WeakPolarHBondContact O-CB 2.88Å; F74-L78 WeakPolarHBondContact O-CD1 3.39Å; F74-L78 WeakPolarHBondContact O-CG 2.9Å; F74-L78 PolarHBondContact O-N 3.21Å
75Y57.6Low59.6Low56 Ų5681.7 Ų81.722%0.2245%0.452CS..Hα-helixtrans-60.8-38.9179.7-123.1-99000113.7V65 G69 F72 T73 I79V65-Y75 PolarHBondContact O-OH 2.86Å; G69-Y75 VanDerWaalsContact CA-CZ 3.45Å; G69-Y75 WeakPolarHBondContact CA-OH 3.42Å; G69-Y75 PolarHBondContact N-OH 3.27Å; F72-Y75 WeakPolarHBondContact O-CB 3.29Å; F72-Y75 PolarHBondContact O-N 3.38Å; F72-Y75 VanDerWaalsContact O-N 3.13Å; T73-Y75 VanDerWaalsContact C-N 3.35Å; Y75-I79 HydrophobicContact CD1-CD1 3.53Å; Y75-I79 HydrophobicContact CD1-CG1 4.22Å; Y75-I79 HydrophobicContact CE1-CD1 3.79Å; Y75-I79 HydrophobicContact CE1-CG1 4.47Å; Y75-I79 WeakPolarHBondContact O-CB 3.33Å; Y75-I79 WeakPolarHBondContact O-CG1 3.23Å; Y75-I79 PolarHBondContact O-N 2.87Å
76V57.5Low60.5Low107 Ų10783.1 Ų83.165%0.64846%0.457SS*.Hα-helixtrans-72.4-49.1-173.9178.30000112.3F74 L78 T80F74-V76 VanDerWaalsContact C-N 3.35Å; F74-V76 PolarHBondContact O-N 3.32Å; V76-L78 VanDerWaalsContact C-N 3.35Å; V76-L78 PolarHBondContact O-N 2.89Å; V76-T80 WeakPolarHBondContact O-CB 3.35Å; V76-T80 PolarHBondContact O-N 3.37Å; V76-T80 PolarHBondContact O-OG1 2.76Å
77P59Low61.7Low65 Ų6583 Ų8342%0.42246%0.456SS..Hα-helixtrans-60.4-43.7173.1-21.230.7000112F74 T80 L81F74-P77 WeakPolarHBondContact O-CD 3.43Å; P77-T80 PolarHBondContact O-N 3.23Å; P77-L81 HydrophobicContact CB-CD1 4.37Å; P77-L81 WeakPolarHBondContact O-CB 3.28Å; P77-L81 WeakPolarHBondContact O-CD1 3.47Å; P77-L81 WeakPolarHBondContact O-CG 3.33Å; P77-L81 PolarHBondContact O-N 3.03Å
78L63.3Low62.5Low23 Ų2378.6 Ų78.612%0.1244%0.437CS..Hα-helixtrans-59.1-53.7179.3-80.7165.6000111.4F74 V76 T80 L81 L82 I134F74-L78 HydrophobicContact CB-CD1 4.34Å; F74-L78 WeakPolarHBondContact O-CB 2.88Å; F74-L78 WeakPolarHBondContact O-CD1 3.39Å; F74-L78 WeakPolarHBondContact O-CG 2.9Å; F74-L78 PolarHBondContact O-N 3.21Å; V76-L78 VanDerWaalsContact C-N 3.35Å; V76-L78 PolarHBondContact O-N 2.89Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.02Å; L78-L81 PolarHBondContact O-N 3.41Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 PolarHBondContact O-N 2.98Å; L78-I134 HydrophobicContact CD2-CG2 4.01Å
79I67.3Low63.2Low74 Ų7472.5 Ų72.538%0.37941%0.408SS..Hα-helixtrans-59.7-38.8177.9-73.9179.2000111.6Y75 L82 S83Y75-I79 HydrophobicContact CD1-CD1 3.53Å; Y75-I79 HydrophobicContact CD1-CG1 4.22Å; Y75-I79 HydrophobicContact CE1-CD1 3.79Å; Y75-I79 HydrophobicContact CE1-CG1 4.47Å; Y75-I79 WeakPolarHBondContact O-CB 3.33Å; Y75-I79 WeakPolarHBondContact O-CG1 3.23Å; Y75-I79 PolarHBondContact O-N 2.87Å; I79-L82 PolarHBondContact O-N 2.9Å; I79-S83 VanDerWaalsContact O-CB 3.29Å; I79-S83 WeakPolarHBondContact O-CB 3.34Å; I79-S83 PolarHBondContact O-N 3.28Å
80T65.1Low64.4Low73 Ų7375 Ų7545%0.44842%0.416SS..Hα-helixtrans-67.3-48.5-179.4-54.90000111.4V76 P77 L78 L82 S83 I84V76-T80 WeakPolarHBondContact O-CB 3.35Å; V76-T80 PolarHBondContact O-N 3.37Å; V76-T80 PolarHBondContact O-OG1 2.76Å; P77-T80 PolarHBondContact O-N 3.23Å; L78-T80 VanDerWaalsContact C-N 3.27Å; L78-T80 PolarHBondContact O-N 3.02Å; T80-L82 PolarHBondContact O-N 3.19Å; T80-S83 PolarHBondContact O-N 2.77Å; T80-I84 HydrophobicContact CG2-CD1 4.02Å; T80-I84 WeakPolarHBondContact O-CB 3.27Å; T80-I84 WeakPolarHBondContact O-CD1 3.34Å; T80-I84 WeakPolarHBondContact O-CG1 3.25Å; T80-I84 PolarHBondContact O-N 3.2Å
81L69.4Low65.6Low59 Ų5974.3 Ų74.331%0.30941%0.405SS..Hα-helixtrans-59.9-34177.7-71.7156.9000112P77 L78 S85 I134P77-L81 HydrophobicContact CB-CD1 4.37Å; P77-L81 WeakPolarHBondContact O-CB 3.28Å; P77-L81 WeakPolarHBondContact O-CD1 3.47Å; P77-L81 WeakPolarHBondContact O-CG 3.33Å; P77-L81 PolarHBondContact O-N 3.03Å; L78-L81 PolarHBondContact O-N 3.41Å; L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.48Å; L81-I134 HydrophobicContact CB-CD1 3.91Å; L81-I134 HydrophobicContact CB-CG1 3.75Å
82L70.7Confident66.5Low16 Ų1670.5 Ų70.58%0.08438%0.378CS..Hα-helixtrans-85.5-34.8-173179.7170.6000111.2L62 L78 I79 T80 S85 L86 I134L62-L82 HydrophobicContact CB-CD1 4.38Å; L62-L82 HydrophobicContact CB-CG 4.1Å; L62-L82 HydrophobicContact CD1-CD1 3.8Å; L62-L82 HydrophobicContact CD1-CD2 3.02Å; L62-L82 HydrophobicContact CD1-CG 3.47Å; L62-L82 VanDerWaalsContact CD1-CG 3.47Å; L62-L82 HydrophobicContact CD2-CD2 3.55Å; L62-L82 HydrophobicContact CD2-CG 3.74Å; L62-L82 HydrophobicContact CG-CD1 4.5Å; L62-L82 HydrophobicContact CG-CD2 3.81Å; L62-L82 HydrophobicContact CG-CG 3.93Å; L78-L82 WeakPolarHBondContact O-CB 3.45Å; L78-L82 PolarHBondContact O-N 2.98Å; I79-L82 PolarHBondContact O-N 2.9Å; T80-L82 PolarHBondContact O-N 3.19Å; L82-S85 PolarHBondContact O-N 2.86Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 PolarHBondContact O-N 2.88Å; L82-I134 HydrophobicContact CB-CD1 4.19Å
83S72.5Confident67.5Low57 Ų5765 Ų6540%0.39936%0.362SS..Hα-helixtrans-64-43.6165.3178.30000111.6I79 T80 S85 L86 I87I79-S83 VanDerWaalsContact O-CB 3.29Å; I79-S83 WeakPolarHBondContact O-CB 3.34Å; I79-S83 PolarHBondContact O-N 3.28Å; T80-S83 PolarHBondContact O-N 2.77Å; S83-S85 PolarHBondContact O-N 3.39Å; S83-L86 PolarHBondContact O-N 2.95Å; S83-I87 VanDerWaalsContact O-CG1 3.27Å; S83-I87 WeakPolarHBondContact O-CG1 3.33Å; S83-I87 PolarHBondContact O-N 2.8Å
84I72.3Confident68.6Low80 Ų8062.5 Ų62.541%0.4135%0.347SS..Hα-helixtrans-60.7-46.1175.1-68.8165.9000110T80 L86 I87 L88T80-I84 HydrophobicContact CG2-CD1 4.02Å; T80-I84 WeakPolarHBondContact O-CB 3.27Å; T80-I84 WeakPolarHBondContact O-CD1 3.34Å; T80-I84 WeakPolarHBondContact O-CG1 3.25Å; T80-I84 PolarHBondContact O-N 3.2Å; I84-L86 PolarHBondContact O-N 3.49Å; I84-I87 PolarHBondContact O-N 3.33Å; I84-L88 HydrophobicContact CG2-CD1 3.94Å; I84-L88 WeakPolarHBondContact O-CB 3.33Å; I84-L88 VanDerWaalsContact O-CD1 3.23Å; I84-L88 WeakPolarHBondContact O-CD1 3.47Å; I84-L88 PolarHBondContact O-N 3.28Å
85S72Confident69.2Low3 Ų360.6 Ų60.62%0.02134%0.341CS..Hα-helixtrans-60.8-43176.5-168.40000112.2L81 L82 S83 I87 L88 Q89 N131L81-S85 WeakPolarHBondContact O-CB 3.32Å; L81-S85 PolarHBondContact O-N 3.48Å; L82-S85 PolarHBondContact O-N 2.86Å; S83-S85 PolarHBondContact O-N 3.39Å; S85-I87 PolarHBondContact O-N 3.34Å; S85-L88 PolarHBondContact O-N 3.08Å; S85-Q89 VanDerWaalsContact O-CB 3.3Å; S85-Q89 WeakPolarHBondContact O-CB 3.38Å; S85-Q89 WeakPolarHBondContact O-CG 3.39Å; S85-Q89 PolarHBondContact O-N 3.44Å; S85-N131 PolarHBondContact OG-OD1 3.34Å
86L73.3Confident69.7Low88 Ų8859.4 Ų59.446%0.46134%0.339SS..Hα-helixtrans-64.3-42.1178.5-159.593.3000112.4L62 L82 S83 I84 Q89 V90L62-L86 HydrophobicContact CD2-CD1 4.01Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 PolarHBondContact O-N 2.88Å; S83-L86 PolarHBondContact O-N 2.95Å; I84-L86 PolarHBondContact O-N 3.49Å; L86-Q89 PolarHBondContact O-N 3.26Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.45Å
87I77.9Confident70.4Confident96 Ų9659.8 Ų59.849%0.49234%0.336SS..Hα-helixtrans-65.8-44.4177.3-67.3168.5000110.3S83 I84 S85 Q89 V90 L91S83-I87 VanDerWaalsContact O-CG1 3.27Å; S83-I87 WeakPolarHBondContact O-CG1 3.33Å; S83-I87 PolarHBondContact O-N 2.8Å; I84-I87 PolarHBondContact O-N 3.33Å; S85-I87 PolarHBondContact O-N 3.34Å; I87-Q89 VanDerWaalsContact C-N 3.32Å; I87-Q89 PolarHBondContact O-N 2.8Å; I87-V90 PolarHBondContact O-N 3.04Å; I87-L91 HydrophobicContact CG2-CD1 4.14Å; I87-L91 PolarHBondContact O-N 3.44Å
88L68.5Low70.8Confident44 Ų4462 Ų6223%0.2334%0.339CS..Hα-helixtrans-62.9-38.8175.2-93.567.7000111.3I84 S85 L91 V92 I127I84-L88 HydrophobicContact CG2-CD1 3.94Å; I84-L88 WeakPolarHBondContact O-CB 3.33Å; I84-L88 VanDerWaalsContact O-CD1 3.23Å; I84-L88 WeakPolarHBondContact O-CD1 3.47Å; I84-L88 PolarHBondContact O-N 3.28Å; S85-L88 PolarHBondContact O-N 3.08Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 VanDerWaalsContact O-CG2 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.24Å; L88-I127 HydrophobicContact CB-CD1 4.33Å; L88-I127 HydrophobicContact CB-CG1 4.13Å; L88-I127 HydrophobicContact CD2-CG1 4.47Å
89Q67.4Low70.9Confident15 Ų1562.5 Ų62.57%0.0734%0.341CS..Hα-helixtrans-65.5-39.4175.8-76.8169.8-15.200112.5L55 S85 L86 I87 G93 I127L55-Q89 HydrophobicContact CD1-CB 3.98Å; L55-Q89 HydrophobicContact CD1-CG 3.59Å; L55-Q89 HydrophobicContact CD2-CB 4.38Å; L55-Q89 HydrophobicContact CD2-CG 4.22Å; L55-Q89 HydrophobicContact CG-CB 4.33Å; L55-Q89 HydrophobicContact CG-CG 3.72Å; S85-Q89 VanDerWaalsContact O-CB 3.3Å; S85-Q89 WeakPolarHBondContact O-CB 3.38Å; S85-Q89 WeakPolarHBondContact O-CG 3.39Å; S85-Q89 PolarHBondContact O-N 3.44Å; L86-Q89 PolarHBondContact O-N 3.26Å; I87-Q89 VanDerWaalsContact C-N 3.32Å; I87-Q89 PolarHBondContact O-N 2.8Å; Q89-G93 PolarHBondContact O-N 2.86Å; Q89-I127 HydrophobicContact CG-CD1 4.27Å; Q89-I127 HydrophobicContact CG-CG2 3.96Å
90V76.6Confident70.6Confident92 Ų9263 Ų6356%0.55835%0.348SS*.Hα-helixtrans-66.4-44.3174.1171.90000110.9L86 I87 V92 G93 V94L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.45Å; I87-V90 PolarHBondContact O-N 3.04Å; V90-V92 PolarHBondContact O-N 2.94Å; V90-G93 PolarHBondContact O-N 2.94Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.22Å
91L76.6Confident70.4Confident102 Ų10267.3 Ų67.353%0.53436%0.36SS..Hα-helixtrans-60-44.8175.3-88.5159.3000112I87 L88 V94 M95I87-L91 HydrophobicContact CG2-CD1 4.14Å; I87-L91 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 3.48Å; L91-V94 PolarHBondContact O-N 3.35Å; L91-M95 WeakPolarHBondContact O-CB 3.32Å; L91-M95 WeakPolarHBondContact O-CG 3.3Å; L91-M95 PolarHBondContact O-N 2.85Å
92V69.6Low69.7Low9 Ų972.2 Ų72.26%0.05538%0.375CS..Hα-helixtrans-65.8-42.1175.8167.60000110.8L88 V90 V94 M95 L96 F123 I124 I127L88-V92 WeakPolarHBondContact O-CB 3.37Å; L88-V92 VanDerWaalsContact O-CG2 3.26Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.24Å; V90-V92 PolarHBondContact O-N 2.94Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.41Å; V92-M95 CarbonylContact O-C 3.56Å; V92-M95 PolarHBondContact O-N 3.45Å; V92-M95 VanDerWaalsContact O-N 3.16Å; V92-L96 HydrophobicContact CG1-CD1 3.4Å; V92-L96 WeakPolarHBondContact O-CD1 3.36Å; V92-L96 PolarHBondContact O-N 3.26Å; V92-F123 HydrophobicContact CG2-CB 3.78Å; V92-F123 HydrophobicContact CG2-CD1 4.34Å; V92-F123 HydrophobicContact CG2-CG 4.28Å; V92-I124 HydrophobicContact CG1-CG1 4.13Å; V92-I127 HydrophobicContact CB-CD1 4.1Å; V92-I127 HydrophobicContact CG1-CD1 4.39Å; V92-I127 HydrophobicContact CG2-CD1 3.65Å
93G69.6Low69.1Low31 Ų3173.2 Ų73.232%0.3238%0.38SS..Hα-helixtrans-58.8-42.7174.400000112.7Q89 V90 L96 I97Q89-G93 PolarHBondContact O-N 2.86Å; V90-G93 PolarHBondContact O-N 2.94Å; G93-L96 PolarHBondContact O-N 2.99Å; G93-I97 VanDerWaalsContact O-CG1 3.26Å; G93-I97 WeakPolarHBondContact O-CG1 3.26Å; G93-I97 PolarHBondContact O-N 3.46Å
94V77.2Confident67.9Low79 Ų7977.5 Ų77.548%0.47940%0.398SS..Hα-helixtrans-66.6-42.3174.5174.20000111.1V90 L91 V92 I97 F98V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.22Å; L91-V94 PolarHBondContact O-N 3.35Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.41Å; V94-I97 PolarHBondContact O-N 3.01Å; V94-F98 WeakPolarHBondContact O-CB 3.19Å; V94-F98 PolarHBondContact O-N 3.39Å
95M69Low66.9Low103 Ų10379.7 Ų79.751%0.50741%0.411SS..Hα-helixtrans-61.5-43.7175.1-79.3-74.2145.400112L91 V92 F98 I99L91-M95 WeakPolarHBondContact O-CB 3.32Å; L91-M95 WeakPolarHBondContact O-CG 3.3Å; L91-M95 PolarHBondContact O-N 2.85Å; V92-M95 CarbonylContact O-C 3.56Å; V92-M95 PolarHBondContact O-N 3.45Å; V92-M95 VanDerWaalsContact O-N 3.16Å; M95-F98 WeakPolarHBondContact O-CB 3.39Å; M95-F98 PolarHBondContact O-N 3.23Å; M95-I99 WeakPolarHBondContact O-CB 3.49Å; M95-I99 VanDerWaalsContact O-CD1 3.29Å; M95-I99 WeakPolarHBondContact O-CD1 3.46Å; M95-I99 WeakPolarHBondContact O-CG1 3.4Å; M95-I99 PolarHBondContact O-N 3.08Å
96L68.1Low65.8Low31 Ų3183.6 Ų83.616%0.16243%0.431CS..Hα-helixtrans-63.1-42.4175.4-93.481.5000111.8V92 G93 F98 I99 V100 V120V92-L96 HydrophobicContact CG1-CD1 3.4Å; V92-L96 WeakPolarHBondContact O-CD1 3.36Å; V92-L96 PolarHBondContact O-N 3.26Å; G93-L96 PolarHBondContact O-N 2.99Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 PolarHBondContact O-N 3.08Å; L96-I99 WeakPolarHBondContact O-CB 3.45Å; L96-I99 PolarHBondContact O-N 3.49Å; L96-V100 WeakPolarHBondContact O-CB 3.49Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.15Å; L96-V100 PolarHBondContact O-N 2.89Å; L96-V120 HydrophobicContact CD1-CG1 3.67Å; L96-V120 HydrophobicContact CD1-CG2 4.05Å; L96-V120 HydrophobicContact CG-CG1 4.33Å
97I73.2Confident64.7Low116 Ų11684.6 Ų84.660%0.59543%0.433SS*.Hα-helixtrans-61.3-44.8175.4-70165.1000110G93 V94 I99 V100 K101G93-I97 VanDerWaalsContact O-CG1 3.26Å; G93-I97 WeakPolarHBondContact O-CG1 3.26Å; G93-I97 PolarHBondContact O-N 3.46Å; V94-I97 PolarHBondContact O-N 3.01Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.31Å; I97-V100 PolarHBondContact O-N 2.93Å; I97-K101 VanDerWaalsContact O-CB 3.23Å; I97-K101 WeakPolarHBondContact O-CB 3.49Å; I97-K101 PolarHBondContact O-N 2.95Å
98F67.8Low63.3Low111 Ų11190.4 Ų90.449%0.48745%0.449SS..Hα-helixtrans-61.5-42177.3-125.1-87000111.6V94 M95 L96 K101 W102V94-F98 WeakPolarHBondContact O-CB 3.19Å; V94-F98 PolarHBondContact O-N 3.39Å; M95-F98 WeakPolarHBondContact O-CB 3.39Å; M95-F98 PolarHBondContact O-N 3.23Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 PolarHBondContact O-N 3.08Å; F98-K101 PolarHBondContact O-N 3.4Å; F98-W102 HydrophobicContact CD1-CD2 4.33Å; F98-W102 AromaticContact CD1-CE3 3.51Å; F98-W102 HydrophobicContact CD1-CE3 3.51Å; F98-W102 HydrophobicContact CD1-CH2 4.36Å; F98-W102 AromaticContact CD1-CZ3 3.52Å; F98-W102 HydrophobicContact CD1-CZ3 3.52Å; F98-W102 AromaticContact CE1-CE3 3.93Å; F98-W102 HydrophobicContact CE1-CE3 3.93Å; F98-W102 AromaticContact CE1-CH2 4Å; F98-W102 HydrophobicContact CE1-CH2 4Å; F98-W102 AromaticContact CE1-CZ3 3.61Å; F98-W102 HydrophobicContact CE1-CZ3 3.61Å; F98-W102 WeakPolarHBondContact O-CB 3.21Å; F98-W102 PolarHBondContact O-N 3.33Å
99I65.8Low62.4Low33 Ų3393.6 Ų93.617%0.16946%0.464CS..Hα-helixtrans-61.3-53.1176.3-74.6164.2000111.3M95 L96 I97 K101 W102 N103 L116 V120M95-I99 WeakPolarHBondContact O-CB 3.49Å; M95-I99 VanDerWaalsContact O-CD1 3.29Å; M95-I99 WeakPolarHBondContact O-CD1 3.46Å; M95-I99 WeakPolarHBondContact O-CG1 3.4Å; M95-I99 PolarHBondContact O-N 3.08Å; L96-I99 WeakPolarHBondContact O-CB 3.45Å; L96-I99 PolarHBondContact O-N 3.49Å; I97-I99 VanDerWaalsContact C-N 3.31Å; I97-I99 PolarHBondContact O-N 3.31Å; I99-K101 PolarHBondContact O-N 2.87Å; I99-W102 PolarHBondContact O-N 3.15Å; I99-N103 WeakPolarHBondContact O-CA 3.44Å; I99-N103 WeakPolarHBondContact O-CB 3.26Å; I99-N103 PolarHBondContact O-N 2.94Å; I99-L116 HydrophobicContact CB-CD2 4.33Å; I99-L116 HydrophobicContact CD1-CD1 3.96Å; I99-L116 HydrophobicContact CD1-CD2 4.08Å; I99-L116 HydrophobicContact CD1-CG 3.52Å; I99-L116 HydrophobicContact CG1-CD1 4.01Å; I99-L116 HydrophobicContact CG1-CD2 3.33Å; I99-L116 HydrophobicContact CG1-CG 3.38Å; I99-V120 HydrophobicContact CD1-CB 4.42Å; I99-V120 HydrophobicContact CD1-CG2 3.1Å
100V59.7Low61.6Low85 Ų8599.6 Ų99.652%0.51549%0.492SS..Hα-helixtrans-59.5-38.5179.1171.30000110.4L96 I97 L104L96-V100 WeakPolarHBondContact O-CB 3.49Å; L96-V100 VanDerWaalsContact O-CG2 3.26Å; L96-V100 WeakPolarHBondContact O-CG2 3.15Å; L96-V100 PolarHBondContact O-N 2.89Å; I97-V100 PolarHBondContact O-N 2.93Å; V100-L104 WeakPolarHBondContact O-CD1 3.24Å; V100-L104 PolarHBondContact O-N 3.35Å
101K61Low60.4Low164 Ų164102.5 Ų102.571%0.71350%0.499SS*.Hα-helixtrans-72.5-35.8179.5-149.4-172.4175.586.30112.7I97 F98 I99I97-K101 VanDerWaalsContact O-CB 3.23Å; I97-K101 WeakPolarHBondContact O-CB 3.49Å; I97-K101 PolarHBondContact O-N 2.95Å; F98-K101 PolarHBondContact O-N 3.4Å; I99-K101 PolarHBondContact O-N 2.87Å
102W55.4Low59.3Low161 Ų161104.6 Ų104.661%0.6150%0.504SS*.Hα-helixtrans-76.8-36.6174.1-115.4-37.8000112.5F98 I99 L104 N105 D106F98-W102 HydrophobicContact CD1-CD2 4.33Å; F98-W102 AromaticContact CD1-CE3 3.51Å; F98-W102 HydrophobicContact CD1-CE3 3.51Å; F98-W102 HydrophobicContact CD1-CH2 4.36Å; F98-W102 AromaticContact CD1-CZ3 3.52Å; F98-W102 HydrophobicContact CD1-CZ3 3.52Å; F98-W102 AromaticContact CE1-CE3 3.93Å; F98-W102 HydrophobicContact CE1-CE3 3.93Å; F98-W102 AromaticContact CE1-CH2 4Å; F98-W102 HydrophobicContact CE1-CH2 4Å; F98-W102 AromaticContact CE1-CZ3 3.61Å; F98-W102 HydrophobicContact CE1-CZ3 3.61Å; F98-W102 WeakPolarHBondContact O-CB 3.21Å; F98-W102 PolarHBondContact O-N 3.33Å; I99-W102 PolarHBondContact O-N 3.15Å; W102-L104 VanDerWaalsContact C-N 3.25Å; W102-L104 PolarHBondContact O-N 3.46Å; W102-N105 PolarHBondContact O-N 2.87Å; W102-D106 PolarHBondContact O-N 3.28Å
103N57.1Low58.7Low37 Ų37107.1 Ų107.120%0.19852%0.517CS..Hα-helixtrans-62.5-30.5179-169.333.3000112I99 L113I99-N103 WeakPolarHBondContact O-CA 3.44Å; I99-N103 WeakPolarHBondContact O-CB 3.26Å; I99-N103 PolarHBondContact O-N 2.94Å; N103-L113 WeakPolarHBondContact OD1-CD2 3.43Å
104L48.7Very low58.3Low148 Ų148111 Ų11178%0.77553%0.53SS*.THydrogen-bonded Turntrans-77.3-22.6172.9-103.377.5000114.2V100 W102V100-L104 WeakPolarHBondContact O-CD1 3.24Å; V100-L104 PolarHBondContact O-N 3.35Å; W102-L104 VanDerWaalsContact C-N 3.25Å; W102-L104 PolarHBondContact O-N 3.46Å
105N50.7Low57.6Low126 Ų126112.4 Ų112.467%0.67453%0.534SS*.THydrogen-bonded Turntrans-96.9-19.2-167.6-169.480.7000113.5W102W102-N105 PolarHBondContact O-N 2.87Å
106D49Very low57.3Low84 Ų84110.1 Ų110.145%0.44952%0.523SS..  trans-154.183.6-177.2-142.8-16.2000113.3W102 R108W102-D106 PolarHBondContact O-N 3.28Å; D106-R108 PolarHBondContact O-N 2.84Å
107E50.1Low57.5Low109 Ų109112.3 Ų112.351%0.50953%0.533SS..THydrogen-bonded Turntrans-70.614.2176.2-156.9173.315000113.2N37N37-E107 VanDerWaalsContact CG-CD 3.48Å; N37-E107 PolarHBondContact ND2-OE1 2.83Å; N37-E107 PolarHBondContact ND2-OE2 3.26Å; N37-E107 PolarHBondContact OD1-OE1 3.35Å
108R48.1Very low57.5Low219 Ų219110.3 Ų110.383%0.82653%0.529SS*.THydrogen-bonded Turntrans-111.8-4.7-169.4-60.6-164.9-162.9-120.25.4116D106D106-R108 PolarHBondContact O-N 2.84Å
109M49.8Very low57.6Low111 Ų111107.9 Ų107.955%0.54753%0.526SS..  trans-116.775.3177.8-67.8-139.880.800112.3H111 K112M109-H111 PolarHBondContact O-N 3.47Å; M109-K112 PolarHBondContact O-N 3Å; M109-K112 VanDerWaalsContact O-N 3.08Å
110H49.9Very low57.9Low141 Ų141107.4 Ų107.465%0.65352%0.524SS*.Hα-helixtrans-49-24.6-179.6-70.3-69000115.8
111H52.7Low58.6Low153 Ų153107.1 Ų107.171%0.70852%0.518SS*.Hα-helixtrans-80-28.5179.4-82.240.9000114.9M109 I115M109-H111 PolarHBondContact O-N 3.47Å; H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.08Å
112K52.5Low59.3Low146 Ų146101.9 Ų101.964%0.63551%0.505SS*.Hα-helixtrans-82-28.4-176.7-76.4-178.4171.6-74.80112.1M109 L116M109-K112 PolarHBondContact O-N 3Å; M109-K112 VanDerWaalsContact O-N 3.08Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3.48Å
113L56.9Low60.1Low62 Ų6299.7 Ų99.733%0.32550%0.5SS..Hα-helixtrans-64.1-49.7174.9-118.161.9000111.2N103 I115 L116 E117N103-L113 WeakPolarHBondContact OD1-CD2 3.43Å; L113-I115 PolarHBondContact O-N 3.16Å; L113-L116 PolarHBondContact O-N 2.95Å; L113-E117 WeakPolarHBondContact O-CB 3.49Å; L113-E117 PolarHBondContact O-N 2.97Å
114D61.4Low60.9Low111 Ų11198.9 Ų98.959%0.59450%0.496SS*.Hα-helixtrans-64.8-40-178-70.7-4.9000112.8L116 S118D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.32Å; D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.08Å; D114-S118 PolarHBondContact O-N 2.76Å
115I62.2Low62.2Low109 Ų10998.5 Ų98.556%0.55949%0.488SS*.Hα-helixtrans-64-40177.7-68.7169.5000110.5H111 L113 S118 C119H111-I115 WeakPolarHBondContact O-CD1 3.44Å; H111-I115 WeakPolarHBondContact O-CG1 3.08Å; L113-I115 PolarHBondContact O-N 3.16Å; I115-S118 PolarHBondContact O-N 3.4Å; I115-C119 WeakPolarHBondContact O-CB 3.48Å; I115-C119 PolarHBondContact O-N 2.86Å; I115-C119 PolarHBondContact O-SG 3.29Å
116L64.2Low63.3Low55 Ų5595.8 Ų95.829%0.28848%0.476SS..Hα-helixtrans-78.2-35.3-173.1-163.359.7000111.3I99 K112 L113 D114 V120I99-L116 HydrophobicContact CB-CD2 4.33Å; I99-L116 HydrophobicContact CD1-CD1 3.96Å; I99-L116 HydrophobicContact CD1-CD2 4.08Å; I99-L116 HydrophobicContact CD1-CG 3.52Å; I99-L116 HydrophobicContact CG1-CD1 4.01Å; I99-L116 HydrophobicContact CG1-CD2 3.33Å; I99-L116 HydrophobicContact CG1-CG 3.38Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3.48Å; L113-L116 PolarHBondContact O-N 2.95Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.32Å; L116-V120 WeakPolarHBondContact O-CB 3.37Å; L116-V120 WeakPolarHBondContact O-CG2 3.29Å; L116-V120 PolarHBondContact O-N 2.88Å
117E71.8Confident64.5Low77 Ų7792.1 Ų92.136%0.3646%0.456SS..Hα-helixtrans-63.2-46.6168.4-169.5178.5146.700111.4L113 C119 V120 M121L113-E117 WeakPolarHBondContact O-CB 3.49Å; L113-E117 PolarHBondContact O-N 2.97Å; E117-C119 VanDerWaalsContact C-N 3.35Å; E117-C119 PolarHBondContact O-N 3.42Å; E117-V120 PolarHBondContact O-N 3.44Å; E117-M121 HydrophobicContact CG-CE 4.08Å; E117-M121 WeakPolarHBondContact O-CB 3.26Å; E117-M121 PolarHBondContact O-N 3.46Å
118S71.9Confident65.5Low75 Ų7589.4 Ų89.452%0.52445%0.447SS..Hα-helixtrans-63.9-38.8177.1-164.70000112.3D114 I115 A122D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.08Å; D114-S118 PolarHBondContact O-N 2.76Å; I115-S118 PolarHBondContact O-N 3.4Å; S118-A122 VanDerWaalsContact O-CB 3.27Å; S118-A122 WeakPolarHBondContact O-CB 3.44Å; S118-A122 PolarHBondContact O-N 3.42Å
119C71.4Confident66.8Low60 Ų6081.5 Ų81.541%0.40542%0.423SS..Hα-helixtrans-63-46.9172.3-780000111.7I115 E117 A122 F123I115-C119 WeakPolarHBondContact O-CB 3.48Å; I115-C119 PolarHBondContact O-N 2.86Å; I115-C119 PolarHBondContact O-SG 3.29Å; E117-C119 VanDerWaalsContact C-N 3.35Å; E117-C119 PolarHBondContact O-N 3.42Å; C119-A122 PolarHBondContact O-N 3.39Å; C119-F123 VanDerWaalsContact O-CD2 3.28Å; C119-F123 WeakPolarHBondContact O-CD2 3.31Å; C119-F123 PolarHBondContact O-N 2.87Å
120V71.8Confident67.7Low22 Ų2277.9 Ų77.913%0.13341%0.407CS..Hα-helixtrans-61.7-48.7178.41640000111.6L96 I99 L116 E117 A122 F123 I124L96-V120 HydrophobicContact CD1-CG1 3.67Å; L96-V120 HydrophobicContact CD1-CG2 4.05Å; L96-V120 HydrophobicContact CG-CG1 4.33Å; I99-V120 HydrophobicContact CD1-CB 4.42Å; I99-V120 HydrophobicContact CD1-CG2 3.1Å; L116-V120 WeakPolarHBondContact O-CB 3.37Å; L116-V120 WeakPolarHBondContact O-CG2 3.29Å; L116-V120 PolarHBondContact O-N 2.88Å; E117-V120 PolarHBondContact O-N 3.44Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.34Å; V120-F123 PolarHBondContact O-N 3.48Å; V120-F123 VanDerWaalsContact O-N 3.15Å; V120-I124 HydrophobicContact CG1-CD1 3.42Å; V120-I124 VanDerWaalsContact CG1-CD1 3.42Å; V120-I124 HydrophobicContact CG1-CG1 4.2Å; V120-I124 WeakPolarHBondContact O-CB 3.22Å; V120-I124 VanDerWaalsContact O-CG1 3.26Å; V120-I124 WeakPolarHBondContact O-CG1 3.37Å; V120-I124 PolarHBondContact O-N 3.39Å
121M74.3Confident68.7Low79 Ų7971.7 Ų71.739%0.38938%0.379SS..Hα-helixtrans-58.3-41.5176.5-78.8-157.4-88.700111.8E47 E117 I124 F125E47-M121 VanDerWaalsContact OE1-SD 3.4Å; E117-M121 HydrophobicContact CG-CE 4.08Å; E117-M121 WeakPolarHBondContact O-CB 3.26Å; E117-M121 PolarHBondContact O-N 3.46Å; M121-I124 PolarHBondContact O-N 3.06Å; M121-F125 WeakPolarHBondContact O-CB 3.44Å; M121-F125 PolarHBondContact O-N 3.32Å
122A74.6Confident69.6Low54 Ų5468.7 Ų68.745%0.44637%0.371SS..Hα-helixtrans-63.4-42.7176.100000112.2S118 C119 V120 F125 V126S118-A122 VanDerWaalsContact O-CB 3.27Å; S118-A122 WeakPolarHBondContact O-CB 3.44Å; S118-A122 PolarHBondContact O-N 3.42Å; C119-A122 PolarHBondContact O-N 3.39Å; V120-A122 VanDerWaalsContact C-N 3.28Å; V120-A122 PolarHBondContact O-N 3.34Å; A122-F125 PolarHBondContact O-N 2.89Å; A122-V126 WeakPolarHBondContact O-CG2 3.45Å; A122-V126 PolarHBondContact O-N 3.09Å; A122-V126 VanDerWaalsContact O-N 3.16Å
123F73.3Confident70.5Confident116 Ų11667 Ų6751%0.50936%0.364SS..Hα-helixtrans-66.5-40.3176.5-92.1-78.4000112.4V92 C119 V120 V126 I127V92-F123 HydrophobicContact CG2-CB 3.78Å; V92-F123 HydrophobicContact CG2-CD1 4.34Å; V92-F123 HydrophobicContact CG2-CG 4.28Å; C119-F123 VanDerWaalsContact O-CD2 3.28Å; C119-F123 WeakPolarHBondContact O-CD2 3.31Å; C119-F123 PolarHBondContact O-N 2.87Å; V120-F123 PolarHBondContact O-N 3.48Å; V120-F123 VanDerWaalsContact O-N 3.15Å; F123-V126 PolarHBondContact O-N 2.93Å; F123-I127 WeakPolarHBondContact O-CG1 3.36Å; F123-I127 PolarHBondContact O-N 3.48Å
124I74.6Confident70.9Confident19 Ų1965.1 Ų65.110%0.09735%0.354CS..Hα-helixtrans-64.9-42.2176.2-69.3170.5000110.6D51 V92 V120 M121 V126 I127 V128D51-I124 HydrophobicContact CB-CD1 3.87Å; D51-I124 HydrophobicContact CB-CG2 4Å; D51-I124 VanDerWaalsContact OD2-CD1 3.24Å; D51-I124 WeakPolarHBondContact OD2-CD1 3.23Å; V92-I124 HydrophobicContact CG1-CG1 4.13Å; V120-I124 HydrophobicContact CG1-CD1 3.42Å; V120-I124 VanDerWaalsContact CG1-CD1 3.42Å; V120-I124 HydrophobicContact CG1-CG1 4.2Å; V120-I124 WeakPolarHBondContact O-CB 3.22Å; V120-I124 VanDerWaalsContact O-CG1 3.26Å; V120-I124 WeakPolarHBondContact O-CG1 3.37Å; V120-I124 PolarHBondContact O-N 3.39Å; M121-I124 PolarHBondContact O-N 3.06Å; I124-V126 VanDerWaalsContact C-N 3.31Å; I124-V126 PolarHBondContact O-N 3.01Å; I124-I127 WeakPolarHBondContact O-CB 3.04Å; I124-I127 PolarHBondContact O-N 3.35Å; I124-I127 VanDerWaalsContact O-N 3.11Å; I124-V128 HydrophobicContact CG2-CG2 4.36Å; I124-V128 WeakPolarHBondContact O-CG2 3.18Å; I124-V128 PolarHBondContact O-N 3.38Å
125F75.6Confident71.1Confident140 Ų14062.4 Ų62.461%0.61434%0.341SS*.Hα-helixtrans-57.2-44.4175.2178.8-101.9000111.9M121 A122 I127 V128 V129M121-F125 WeakPolarHBondContact O-CB 3.44Å; M121-F125 PolarHBondContact O-N 3.32Å; A122-F125 PolarHBondContact O-N 2.89Å; F125-I127 VanDerWaalsContact C-N 3.35Å; F125-I127 PolarHBondContact O-N 3.34Å; F125-V128 PolarHBondContact O-N 3.43Å; F125-V129 HydrophobicContact CD1-CG2 4.42Å; F125-V129 HydrophobicContact CE1-CG2 4.06Å; F125-V129 HydrophobicContact CE2-CG2 4.32Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 VanDerWaalsContact O-CG2 3.32Å; F125-V129 WeakPolarHBondContact O-CG2 3.49Å; F125-V129 PolarHBondContact O-N 2.89Å
126V72.3Confident71.3Confident70 Ų7060 Ų6042%0.42434%0.337SS..Hα-helixtrans-62.3-42.2175.7174.60000111.3A122 F123 I124 V129 V130A122-V126 WeakPolarHBondContact O-CG2 3.45Å; A122-V126 PolarHBondContact O-N 3.09Å; A122-V126 VanDerWaalsContact O-N 3.16Å; F123-V126 PolarHBondContact O-N 2.93Å; I124-V126 VanDerWaalsContact C-N 3.31Å; I124-V126 PolarHBondContact O-N 3.01Å; V126-V129 PolarHBondContact O-N 3.28Å; V126-V130 HydrophobicContact CG1-CG2 4.47Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.42Å; V126-V130 PolarHBondContact O-N 2.84Å
127I74.3Confident71.2Confident7 Ų763.4 Ų63.44%0.03635%0.35CS..Hα-helixtrans-62.3-44.1176.8-68.2163.9000111.1L88 Q89 V92 F123 I124 F125 V130 N131L88-I127 HydrophobicContact CB-CD1 4.33Å; L88-I127 HydrophobicContact CB-CG1 4.13Å; L88-I127 HydrophobicContact CD2-CG1 4.47Å; Q89-I127 HydrophobicContact CG-CD1 4.27Å; Q89-I127 HydrophobicContact CG-CG2 3.96Å; V92-I127 HydrophobicContact CB-CD1 4.1Å; V92-I127 HydrophobicContact CG1-CD1 4.39Å; V92-I127 HydrophobicContact CG2-CD1 3.65Å; F123-I127 WeakPolarHBondContact O-CG1 3.36Å; F123-I127 PolarHBondContact O-N 3.48Å; I124-I127 WeakPolarHBondContact O-CB 3.04Å; I124-I127 PolarHBondContact O-N 3.35Å; I124-I127 VanDerWaalsContact O-N 3.11Å; F125-I127 VanDerWaalsContact C-N 3.35Å; F125-I127 PolarHBondContact O-N 3.34Å; I127-V130 PolarHBondContact O-N 2.86Å; I127-N131 WeakPolarHBondContact O-CB 3.46Å; I127-N131 PolarHBondContact O-N 3.29Å; I127-N131 PolarHBondContact O-ND2 3.02Å
128V72.9Confident70.5Confident51 Ų5161 Ų6131%0.30935%0.346SS..Hα-helixtrans-62.3-45178171.90000110.7I124 F125 N131 V132I124-V128 HydrophobicContact CG2-CG2 4.36Å; I124-V128 WeakPolarHBondContact O-CG2 3.18Å; I124-V128 PolarHBondContact O-N 3.38Å; F125-V128 PolarHBondContact O-N 3.43Å; V128-N131 PolarHBondContact O-N 2.74Å; V128-V132 HydrophobicContact CG1-CG2 4.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.26Å; V128-V132 PolarHBondContact O-N 3.2Å
129V73.9Confident69.7Low54 Ų5462.8 Ų62.833%0.32735%0.354SS..Hα-helixtrans-61.4-47.5178170.50000111.1F125 V126 N131 V132 F133F125-V129 HydrophobicContact CD1-CG2 4.42Å; F125-V129 HydrophobicContact CE1-CG2 4.06Å; F125-V129 HydrophobicContact CE2-CG2 4.32Å; F125-V129 HydrophobicContact CZ-CG2 4Å; F125-V129 VanDerWaalsContact O-CG2 3.32Å; F125-V129 WeakPolarHBondContact O-CG2 3.49Å; F125-V129 PolarHBondContact O-N 2.89Å; V126-V129 PolarHBondContact O-N 3.28Å; V129-N131 VanDerWaalsContact C-N 3.31Å; V129-N131 PolarHBondContact O-N 2.95Å; V129-V132 PolarHBondContact O-N 3.44Å; V129-F133 HydrophobicContact CG1-CD2 3.83Å; V129-F133 HydrophobicContact CG1-CE2 3.61Å; V129-F133 WeakPolarHBondContact O-CD2 3.14Å; V129-F133 PolarHBondContact O-N 3.01Å
130V69.3Low68.5Low34 Ų3467.2 Ų67.221%0.20637%0.368CS..Hα-helixtrans-60.7-41.6176.8172.40000111V126 I127 F133 I134V126-V130 HydrophobicContact CG1-CG2 4.47Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.42Å; V126-V130 PolarHBondContact O-N 2.84Å; I127-V130 PolarHBondContact O-N 2.86Å; V130-F133 PolarHBondContact O-N 3.37Å; V130-I134 HydrophobicContact CG1-CD1 4.1Å; V130-I134 VanDerWaalsContact O-CG1 3.32Å; V130-I134 WeakPolarHBondContact O-CG1 3.25Å; V130-I134 PolarHBondContact O-N 3.38Å
131N70.4Confident67.4Low12 Ų1272.3 Ų72.36%0.06439%0.391CS..Hα-helixtrans-65.7-39.2176.9-71.1-16000112.6N58 S85 I127 V128 V129 F133 I134 T135N58-N131 HydrophobicContact CB-CB 4.46Å; N58-N131 WeakPolarHBondContact CB-ND2 3.35Å; N58-N131 PolarHBondContact ND2-ND2 2.9Å; N58-N131 VanDerWaalsContact ND2-ND2 3.15Å; S85-N131 PolarHBondContact OG-OD1 3.34Å; I127-N131 WeakPolarHBondContact O-CB 3.46Å; I127-N131 PolarHBondContact O-N 3.29Å; I127-N131 PolarHBondContact O-ND2 3.02Å; V128-N131 PolarHBondContact O-N 2.74Å; V129-N131 VanDerWaalsContact C-N 3.31Å; V129-N131 PolarHBondContact O-N 2.95Å; N131-F133 VanDerWaalsContact C-N 3.34Å; N131-F133 PolarHBondContact O-N 3.36Å; N131-I134 WeakPolarHBondContact O-CB 3.29Å; N131-I134 PolarHBondContact O-N 3.3Å; N131-T135 PolarHBondContact O-N 2.92Å; N131-T135 PolarHBondContact O-OG1 3.05Å
132V73.1Confident66.1Low90 Ų9073.3 Ų73.355%0.54540%0.403SS..Hα-helixtrans-63.5-40.7175167.80000111.1V128 V129 T135 A136V128-V132 HydrophobicContact CG1-CG2 4.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.26Å; V128-V132 PolarHBondContact O-N 3.2Å; V129-V132 PolarHBondContact O-N 3.44Å; V132-T135 PolarHBondContact O-N 3.3Å; V132-A136 VanDerWaalsContact O-CB 3.25Å; V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 2.91Å
133F70Confident64.7Low110 Ų11078.8 Ų78.848%0.48242%0.419SS..Hα-helixtrans-61.5-44.1172.5-81.2-69.3000111.3V129 V130 N131 T135 A136 F137V129-F133 HydrophobicContact CG1-CD2 3.83Å; V129-F133 HydrophobicContact CG1-CE2 3.61Å; V129-F133 WeakPolarHBondContact O-CD2 3.14Å; V129-F133 PolarHBondContact O-N 3.01Å; V130-F133 PolarHBondContact O-N 3.37Å; N131-F133 VanDerWaalsContact C-N 3.34Å; N131-F133 PolarHBondContact O-N 3.36Å; F133-T135 PolarHBondContact O-N 3.41Å; F133-A136 PolarHBondContact O-N 2.93Å; F133-F137 HydrophobicContact CB-CD2 4.28Å; F133-F137 HydrophobicContact CB-CE2 4.22Å; F133-F137 HydrophobicContact CD1-CD2 4.43Å; F133-F137 AromaticContact CD1-CE2 3.63Å; F133-F137 HydrophobicContact CD1-CE2 3.63Å; F133-F137 HydrophobicContact CD1-CZ 4.32Å; F133-F137 HydrophobicContact CE1-CE2 4.5Å; F133-F137 HydrophobicContact CG-CE2 4.38Å; F133-F137 WeakPolarHBondContact O-CB 3.14Å; F133-F137 WeakPolarHBondContact O-CD2 3.38Å; F133-F137 WeakPolarHBondContact O-CG 3.1Å; F133-F137 PolarHBondContact O-N 3.49Å
134I66.6Low63.6Low22 Ų2277.7 Ų77.711%0.11343%0.426CS..Hα-helixtrans-59.2-47175.3-65.8164.5000111.2L78 L81 L82 V130 N131 F137 G138L78-I134 HydrophobicContact CD2-CG2 4.01Å; L81-I134 HydrophobicContact CB-CD1 3.91Å; L81-I134 HydrophobicContact CB-CG1 3.75Å; L82-I134 HydrophobicContact CB-CD1 4.19Å; V130-I134 HydrophobicContact CG1-CD1 4.1Å; V130-I134 VanDerWaalsContact O-CG1 3.32Å; V130-I134 WeakPolarHBondContact O-CG1 3.25Å; V130-I134 PolarHBondContact O-N 3.38Å; N131-I134 WeakPolarHBondContact O-CB 3.29Å; N131-I134 PolarHBondContact O-N 3.3Å; I134-F137 PolarHBondContact O-N 2.93Å; I134-G138 WeakPolarHBondContact O-CA 3.2Å; I134-G138 PolarHBondContact O-N 3.1Å
135T64.1Low62.3Low55 Ų5584.4 Ų84.434%0.33746%0.457SS..Hα-helixtrans-63.8-43.6178.2-60.40000111.7N131 V132 F133 F137 G138 V139N131-T135 PolarHBondContact O-N 2.92Å; N131-T135 PolarHBondContact O-OG1 3.05Å; V132-T135 PolarHBondContact O-N 3.3Å; F133-T135 PolarHBondContact O-N 3.41Å; T135-F137 VanDerWaalsContact C-N 3.31Å; T135-F137 PolarHBondContact O-N 3.03Å; T135-G138 PolarHBondContact O-N 2.7Å; T135-V139 HydrophobicContact CG2-CG2 4.46Å; T135-V139 WeakPolarHBondContact O-CB 3.49Å; T135-V139 PolarHBondContact O-N 2.93Å
136A66.2Low60.9Low57 Ų5784.9 Ų84.947%0.47147%0.466SS..Hα-helixtrans-63.1-37.7178.900000112.3V132 F133V132-A136 VanDerWaalsContact O-CB 3.25Å; V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 2.91Å; F133-A136 PolarHBondContact O-N 2.93Å
137F62.8Low60.2Low128 Ų12886.7 Ų86.756%0.56148%0.482SS*.Hα-helixtrans-86.1-22.3177.1-66.3-57.9000113.5F133 I134 T135F133-F137 HydrophobicContact CB-CD2 4.28Å; F133-F137 HydrophobicContact CB-CE2 4.22Å; F133-F137 HydrophobicContact CD1-CD2 4.43Å; F133-F137 AromaticContact CD1-CE2 3.63Å; F133-F137 HydrophobicContact CD1-CE2 3.63Å; F133-F137 HydrophobicContact CD1-CZ 4.32Å; F133-F137 HydrophobicContact CE1-CE2 4.5Å; F133-F137 HydrophobicContact CG-CE2 4.38Å; F133-F137 WeakPolarHBondContact O-CB 3.14Å; F133-F137 WeakPolarHBondContact O-CD2 3.38Å; F133-F137 WeakPolarHBondContact O-CG 3.1Å; F133-F137 PolarHBondContact O-N 3.49Å; I134-F137 PolarHBondContact O-N 2.93Å; T135-F137 VanDerWaalsContact C-N 3.31Å; T135-F137 PolarHBondContact O-N 3.03Å
138G57.4Low59.8Low27 Ų2792 Ų9228%0.27852%0.516SS..Hα-helixtrans-83.9-22.3178.700000114.4I134 T135 Q140I134-G138 WeakPolarHBondContact O-CA 3.2Å; I134-G138 PolarHBondContact O-N 3.1Å; T135-G138 PolarHBondContact O-N 2.7Å; G138-Q140 PolarHBondContact O-N 3.33Å
139V54.2Low59Low112 Ų11295.6 Ų95.668%0.67954%0.541SS*.SBendtrans-73.6-0.2178.4145.50000114.2T135 Q141T135-V139 HydrophobicContact CG2-CG2 4.46Å; T135-V139 WeakPolarHBondContact O-CB 3.49Å; T135-V139 PolarHBondContact O-N 2.93Å; V139-Q141 VanDerWaalsContact C-N 3.31Å; V139-Q141 PolarHBondContact O-N 2.97Å
140Q47.2Very low58.3Low153 Ų153102.4 Ų102.472%0.71559%0.591SS**  trans-88.126.1-178.4-68.3-77.1-34.600114.7G138 P142G138-Q140 PolarHBondContact O-N 3.33Å; Q140-P142 VanDerWaalsContact C-CD 3.44Å; Q140-P142 WeakPolarHBondContact O-CD 3.25Å
141Q49.6Very low57.7Low128 Ų128105.8 Ų105.860%0.59861%0.61SS**  trans-100.390.2164.2-75.7-166.86200110.2V139 H143V139-Q141 VanDerWaalsContact C-N 3.31Å; V139-Q141 PolarHBondContact O-N 2.97Å; Q141-H143 PolarHBondContact O-N 2.82Å
142P44.9Very low57.1Low101 Ų101110.7 Ų110.766%0.65664%0.639SS**  trans-61.8120.9158.127.3-28.8000106.3Q140 S144Q140-P142 VanDerWaalsContact C-CD 3.44Å; Q140-P142 WeakPolarHBondContact O-CD 3.25Å; P142-S144 PolarHBondContact O-N 3.11Å
143H45.6Very low56.2Low168 Ų168111.9 Ų111.978%0.77864%0.644SS**  trans-59.594162.6-142.1-25.9000105.5Q141 Q145Q141-H143 PolarHBondContact O-N 2.82Å; H143-Q145 PolarHBondContact O-N 3.3Å
144S50.8Low55.4Low94 Ų94112 Ų11266%0.65765%0.654SS**  trans-67.473.3162.1-63.90000106.5P142 N146P142-S144 PolarHBondContact O-N 3.11Å; S144-N146 PolarHBondContact O-N 3.08Å
145Q47.7Very low54.7Low159 Ų159117.6 Ų117.674%0.74369%0.687SS**  trans-70.194.3154.6-97.6-163.537.800105.9H143 S147H143-Q145 PolarHBondContact O-N 3.3Å; Q145-S147 PolarHBondContact O-N 3.24Å
146N46.2Very low54Low151 Ų151121.8 Ų121.881%0.80771%0.711SS**  trans-41.7117.9159.7-63.4-22000109.2S144S144-N146 PolarHBondContact O-N 3.08Å
147S57.8Low53.2Low108 Ų108126.4 Ų126.476%0.75573%0.728SS**  trans-95.2167.915629.90000108.3Q145Q145-S147 PolarHBondContact O-N 3.24Å
148P64.9Low52.4Low117 Ų117126.3 Ų126.376%0.7674%0.741SS**  -105.3-173.6-73.736.2-21.4000111
149P55.9Low52Low127 Ų127134.6 Ų134.683%0.82578%0.779SS**  trans-119.9153.7137.434.6-29000112.7
150S59.3Low51.8Low197 Ų197136.6 Ų136.6100%1.37879%0.788SS**  trans-56.60-163.1-44.70000117.5

Retrieved 150 of 150 residues in 38.1 ms (Link to these results)